abstract book

11 - 16 August, 2013 / Istanbul / Turkey

ABSTRACT BOOK

IUPAC www.iupac2013.org

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CONTENTS PAGE

WELCOME ADDRESSES

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COMMITTEES

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PLENARY SPEAKERS

6

KEYNOTE SPEAKERS

11

INVITED SPEAKERS

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SOCIAL PROGRAM

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SPONSORS

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PROGRAM AT A GLANCE

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SCIENTIFIC PROGRAM

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SYMPOSIA

45

POSTER PROGRAM

51

PLENARY SPEAKERS TEXTS

107

KEYNOTE SPEAKERS TEXTS

117

INVITED SPEAKERS TEXTS

185

ORAL PRESENTATIONS

192

SYMPOSIA TEXTS

620

POSTER PRESENTATIONS

652

SPEAKERS INDEX

1720

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WELCOME First of all, I would like to express my deep gratitude to the Turkish Chemical Society and the Organizing Committee chaired by Prof. Mehmet Mahramanlioglu for their diligent work in planning this Congress, and bringing it to fruition with great success. The 44th IUPAC World Chemistry Congress, in conjunction with the 47th IUPAC General Assembly, is taking place in an especially notable city in our world, providing chemists worldwide with a priceless opportunity to gather in Istanbul, the birthplace of modern science, and a geographical, cultural, and historical crossroad where cultures of the West met with those of the East. The main theme of this Congress is “Clean Energy Through Chemistry,” and the subtopics for the scientific sessions have been carefully selected in cooperation with the Turkish Chemical Society, the IUPAC National Adhering Organizations and the IUPAC Divisions. The search for safe, renewable clean energy is essential in realizing future sustainable societies in all nations throughout the world, and the role of chemists will continue to be invaluable in tackling and accomplishing these challenging objectives. Another important facet of this Congress is to bring together, both figuratively and literally, young talent from across the globe, and provide them the opportunity to meet and collaborate with the top established chemists in the world. I am confident that taking advantage of this opportunity to participate in and contribute to the Congress will serve as an important step in the career paths of young researchers and students, and will play a valuable role in securing their future as the next generation of world-leading chemists. This will be a conference to be remembered for many years to come.

Prof. Dr. Kazuyuki Tatsumi President of IUPAC

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WELCOME

Dear Colleagues, It is my great pleasure to welcome you and thank you for joining us at the 44th WORLD CHEMISTRY CONGRESS organized by the TURKISH CHEMICAL SOCIETY. On behalf of the organizing and scientific committees, I appreciate your participation and sincerely hope you find the congress productive and enjoyable. The scientific program of the congress consists of 10 plenary lectures, 66 keynote lectures, 6 invited lectures and over 450 oral and 1,100 poster presentations. It has been 18 years since the IUPAC World Chemistry Congress was last held in Istanbul and you will see that a lot has changed. You will most definitely find Istanbul more active and fun than it was in 1995. While you are here you should definitely take some time to go out and enjoy the city.Istanbul is the largest city in Turkey and has a worldwide reputation as a result of its long history and rich culture. The Congress has attracted over 1,600 participants from 92 countries this year. This is an indication of the level of esteem in which it is held. I would like to thank Prof. Kazumi Tatsumi, President of IUPAC, for his support. Our meetings, especially those in Dublin and Prague, have been very productive. I would also like to express my gratitude to the scientific committee and the organizing committee. I want to especially thank three friends and colleagues; Dr. Melda Tuncay, Dr. Lale Burk and Dr. Terry Renner. I am most grateful to each of them. Over the next five days you will make new friends and form personal relationships that may last a lifetime. I wish all of you a very pleasant stay here in Istanbul and a successful congress. Prof. Mehmet Mahramanlioglu Chairperson of IUPAC 2013

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Mehmet Mahramanlioglu, Secretary General of TCS VICE CHAIRS Mustafa CULHA,Yeditepe University Mustafa SOZBILIR, Ataturk University GENERAL SECRETARY Bahattin YALCIN, Marmara University

COMMITTEES

CHAIRPERSON

TREASURERS Hazal Ozlem ERSAN, Istanbul Metropolitan Municipality Eyup ALTUN, Member of TCS EXHIBTION CHAIRMAN Erkan BAYKUT, President of TCS EDUCATION REPRESANTATIVES Salih Zeki ERSAN, Bakirkoy Gurlek Nakipoglu Highscool İ. Ozlem ERGUN, Okyanus College INDUSTRY REPRESANTATIVE Selcuk KARAATA, Sabanci University, REF LOCAL SCIENTIFIC COMMITTEE Adem KILIC, Gebze Institute of Technology Caner ZANBAK, Turkish Chemical Manufacturers Association Emre DOLEN, Marmara University Erol AYRANCI, Akdeniz University Ersin YURTSEVER, Koc Universty Hadi OZBAL, Bogazici University Huseyin YILDIRIM, Yalova University Iskender YILGOR, Koc University Lale AKA BURK, Smith College Levent TOPPARE, Middle East Technical University Metin BALCI, Middle East Technical University Mustafa GULLU, Ankara University Mustafa L. BERKEM, Marmara University Namik Kemal ARAS, Turkish Academy of Sciences Nuket OCAL, Yildiz Technical University Olgun GUVEN, Hacettepe University

Ramazan ALTUNDAS, Ataturk University Resat APAK, Istanbul University Sefik SUZER, Ihsan Dogramaci Bilkent University Selcuk KARAATA, Sabanci University, REF Semra TUNCER, Middle East Technical University Seza BASTUG, Marmara Universty Sibel ERDURAN, Bristol University Sibel OZKAN, Ankara Universty Sinem GOKTURK, Marmara University Turan OZTURK, Istanbul Technical Universty Turan UNAK, International Nuclear Chemistry Society Vefa AHSEN, Gebze Institute of Technology Yasar SUTBEYAZ, Ataturk University Yusuf MENCELOGLU, Sabanci University Yusuf YAGCI, Istanbul Technical Universty Zekiye CINAR, Yildiz Technical University

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PLENARY SPEAKERS

AARON CIECHANOVER 11.08.2013, Sunday - 17:00-18:00 / Hall 1 Aaron Ciechanover was born in Haifa, Israel in 1947. He is a Distinguished Research Professor in the Technion - Israel Institute of Technology in Haifa. He received his M.Sc. (1971) and M.D. (1973) from the Hebrew University in Jerusalem. He then completed his national service (1973-1976) as military physician, and continued his studies to obtain a doctorate in biological sciences in the Faculty of Medicine in the Technion (D.Sc.; 1982). There, as a graduate student with Dr. Avram Hershko and in collaboration with Dr. Irwin A. Rose from the Fox Chase Cancer Center in Philadelphia, USA, they discovered that covalent attachment of ubiquitin to a target protein signals it for degradation. They deciphered the mechanism of conjugation, described the general proteolytic functions of the system, and proposed a model according to which this modification serves as a recognition signal for a specific downstream protease. As a post doctoral fellow with Dr. Harvey Lodish at the M.I.T., he continued his studies on the ubiquitin system and made additional important discoveries. Along the years it has become clear that ubiquitin-mediated proteolysis plays major roles in numerous cellular processes, and aberrations in the system underlie the pathogenetic mechanisms of many diseases, among them certain malignancies and neurodegenerative disorders. Consequently, the system has become an important platform for drug development. Among the numerous prizes Ciechanover received are the 2000 Albert Lasker Award, the 2003 Israel Prize, and the 2004 Nobel Prize (Chemistry; shared with Drs. Hershko and Rose). Among many academies, Ciechanover is member of the Israeli National Academy of Sciences and Humanities, the American Academy of Arts and Sciences (Foreign Fellow), the American Philosophical Society, the National Academy of Sciences of the USA and the Institute of Medicine of the National Academies of the USA (Foreign Associate), and the Russian Academy of Sciences (Foreign Member).

RYOJI NOYORI 12.08.2013, Monday - 09:00-10:00 / Hall 1 President of RIKEN Ryoji Noyori, born in Kobe, Japan in 1938, completed his Bachelor’s degree in 1961 and his Master’s degree in 1963 at Kyoto University. Then he immediately became an Instructor at the same university and received his Ph.D. degree in 1967. Noyori was appointed Associate Professor at Nagoya University in 1968 and went to Harvard University for postdoctoral research in 1969–1970. Shortly after returning to Nagoya, he was promoted to Professor in 1972. In 2003, Noyori became President of RIKEN and University Professor of Nagoya University. In addition, he served as Dean of the Graduate School of Science, Director of Research Center for Materials Science, and Director of the Institute of Advanced Research at Nagoya University as well as President of the Chemical Society of Japan (2002–2003), Chair of the Japanese government’s Education Rebuilding Council (2006–2008), and Chair of the Japan Committee of the International Year of Chemistry 2011. Since 2005, Noyori has chaired the Science and Technology Council of MEXT. In 2007, he was given the honor of serving as the Head of Official Suite of the Emperor and Empress when they visited Europe. Noyori is well known for his initiation and development of asymmetric catalysis using organometallic molecular catalysts. In addition, he has been a promoter of “green chemistry”. Noyori’s scientific contributions have been recognized by numerous national and international awards including the Asahi Prize (1993), the Tetrahedron Prize (1993), the Japan Academy Prize (1995), the Arthur C. Cope Award (1997), a Person of Cultural Merit (1998), the King Faisal International Prize for Science (1999), the Order of Culture (2000), the Wolf Prize in Chemistry (2001), and the Roger Adams Award (2001). In 2001, he shared the Nobel Prize in Chemistry with W. S. Knowles and K. B. Sharpless. He is a Member of the Japan Academy and the Pontifical Academy of Sciences and a Foreign Member of the National Academy of Sciences, USA, the Royal Society, UK, the Russian Academy of Sciences, and the Chinese Academy of Sciences among others. He received 13 honorary doctorates and 10 honorary professorships from academic institutions worldwide. 6

12.08.2013, Monday - 13:15-14:15 / Hall 1 Prof. Dr. Engin Umut Akkaya received his B.S. degree from the Middle East Technical University, Ankara, Turkey in 1983, completing a 4 year curriculum in 3 years. Following a brief stay in Ankara for graduate work, he moved to USA, finished his M.S. (1986) and Ph.D. studies in 1989, both at the Ohio State University Columbus, Ohio. Following postdoctoral work in the Ohio State University (1989-1991) and University of Maryland, Baltimore, Center for Fluorescence Spectroscopy, (1991-1994), he returned home in December 1994, accepting a faculty position in the Middle East Technical University, Chemistry Department. Since 2007, he is a member of the faculty (and recently the chairman) at the Bilkent University Chemistry Department, and assistant director of the National Nanotechnology Research Center (UNAM). Prof. Akkaya has diverse interests including chemical analogues of logic gates, artificial enzymes and sensitizers for photodynamic therapy and dye sensitized solar cells. His recent works attracted great interest and were highlighted in various outlets, such as the Royal Society of Chemistry and NPGNature Asia-Pacific web sites, ACS publication Chemical and Engineering News and in Nachrichten aus der Chemie,a publication of German Chemical Society, GDCh. His latest Journal of the American Chemical Society (JACS) article was featured on the cover, and one of the three Angewandte Chemie articles he published in 2011 was selected as the frontispiece.

PLENARY SPEAKERS

ENGIN UMUT AKKAYA

In 2009, Prof. Akkaya was the sole recipient of the most prestigious award given to scientists in Turkey, the TUBITAK Science Award. He was elected a full member of the “Turkish Academy of Sciences” in 2008, and resigned in 2011.

ADA YONATH 13.08.2013, Tuesday - 09:00-10:00 / Hall 1 Born in Jerusalem, Israel, Prof. Ada Yonath studied at the Hebrew University, earned Ph.D. degree from Weizmann Institute of Science (WIS) and completed her postdoctoral studies at Carnegie Mellon University and MIT in USA. In the seventies she established the first laboratory for protein crystallography in Israel, which was the only laboratory of this kind in the country for almost a decade, and then spent a Sabbatical leave in Chicago University. Currently she is the WIS Kimmel Professor of structural biology and the Director of the Kimmelman Center for Biomolecular Structure and Assembly. In parallel, during 1986-2004 she directed the Max-Planck-Research-Unit for Ribosome Structure in Hamburg, Germany. She has been and is studying protein biosynthesis, focusing on ribosomes, the universal cellular “factories” translating the genetic code into proteins. Owing to their fundamental significance for life, ribosomes are targeted by many antibiotics and she is investigating their action alongside mechanisms acquiring antibiotics resistance, thus revealing novel routes for structure-based drug improvements and design. She is a member of US National Academy of Sciences; the American Academy of Arts & Sciences; Israel Academy of Sciences & Humanities; European Academy of Sciences & Art; Korean Academy for Science & Technology; European Molecular Biology Organization (EMBO) and the International Academy of Astronautics. She holds honorary doctorates from almost all Israeli Universities; KEK, Japan; Oslo U, Norway; Fujian U, China; NYU and Mt. Sinai Universities, NYC; Hamburg University; Patras U. Greece; Oxford and Cambridge Universities, UK. Her awards include the 1st European Crystallography Prize; the Israel Prize; the Paul Karrer Gold Medal; the Israel EMET award; the Rothschild Prize; Louisa Gross Horwitz Prize of Columbia U, NY; the Paul Ehrlich-Ludwig Medal; Linus Pauling Gold Medal; Anfinsen Prize; Wolf Prize; Massry Award; UNESCO/L’Oreal Award for Women in Science; Albert Einstein World Award for Excellence; Erice Peace Prize; DESY pin; Exner medal; the Indian PM Gold medal; President of Panama Award; Maria Sklodowska-Curie Medal of the Polish Chemical Society; Cite of Florence Prize; Datta Medal; The Nobel Prize for Chemistry.

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PLENARY SPEAKERS

MARTIN JANSEN 13.08.2013, Tuesday - 13:15-14:15 / Hall 1 Martin Jansen studied chemistry at the Justus-Liebig-University of Giessen, Germany, where he gained his doctorate in 1973. After his habilitation in 1978, he accepted a professorial chair for Inorganic Chemistry at the University of Hannover. In 1987 he moved to the Rheinische Friedrich Wilhelms University of Bonn. From 1998 to 2012, he has been a member of the scientific council of the Max-Planck Society and a director at the Max-Planck Institute for solidstate research in Stuttgart. Among others, he has been awarded the Gottfried Wilhelm Leibniz prize, the Otto Bayer prize, the Alfred Stock Gedächtnis prize and the Karl-Ziegler prize for his work. He is a member of the Nordrhein-Westfälische Akademie der Wissenschaften (corresponding member), the Academia Europaea, the Berlin-Brandenburgische Akademie der Wissenschaften, Deutsche Akademie der Naturforscher Leopoldina, and Fellow of the Royal Society of Chemistry. His main research lies in the field of preparative solid-state chemistry, crystal chemistry, materials research, in particular the structure-property relationship of solids. Particular emphasis is put on developing a concept for synthesis planning in solid state and materials chemistry, which is based on combining computational tools for predicting stable compounds and their structures, and new experimental approaches for realizing metastable solids.

MARTIN QUACK 14.08.2013, Wednesday - 09:00-10:00 / Hall 1 Martin Quack is PROFESSOR (ORDINARIUS) for Physical Chemistry at ETH Zurich since 1983. He was born in Darmstadt in 1948. He studied Chemistry and Chemical Physics in Darmstadt, Grenoble and Göttingen, where he received his Chemistry Diploma in 1971 with a diploma thesis on the resonance fluorescence of aniline vapour with Manfred Stockburger and Albert Weller at the Max-Planck-Institutes for Spectroscopy and Biophysical Chemistry. He received his doctoral degree Dr es sces techn from the École Polytechnique Fédérale de Lausanne after work with Jürgen Troe in reaction kinetics. In his doctoral thesis he developed the statistical adiabatic channel model(SACM) for unimolecular and complex forming bimolecular reactions, which has found wide use in gas phase kinetics. As Max-Kade Fellow he stayed with William H. Miller at the University of California, Berkeley 1976/1977 and habilitated in Göttingen in 1978 with work on Infrared Laser Chemistry and Multiphoton Excitation. He stayed in Göttingen as Privatdozent and Professor (C2) until 1982, when he was appointed full Professor (C4) at the University of Bonn. In 1983 he was elected as full Professor at ETH Zürich. In the Hilary Term 1988 he was also Hinshelwood Lecturer at the University of Oxford and Christensen Fellow at St Catherine’s College, and in 2005 Miller Professor at the University of California Berkeley. Martin Quack’s research is on high resolution spectroscopy, infrared laser chemistry and kinetic primary processes in polyatomic molecules. He formulated the foundations of detailed symmetry selection rules in chemical reactions, based on the principles of approximate conservation of parity and nuclear spin symmetry. He also developed the first complete theory of infrared multiphoton excitation and laser chemistry of polyatomic molecules , confirmed later by many experimental tests, from his group and others. As an alternative and complement to the fs pump-probe kinetic experiments, he introduced the high resolution spectroscopic approach to study the short time dynamics of intramolecular processes from the sub-femtosecond to nanosecond time scales, formulating in this context the concepts of the quantum dynamics of functional groups and of quasiadiabatic above barrier tunneling in chemical reactions of hydrogen bonded clusters and chiral molecules. A major current effort of his group at ETH concerns the theory of molecular parity violation and experimental attempts to measure the parity violating energy difference between enantiomers of chiral molecules, so far predicted only theoretically, by measuring the new primary process of parity change with time in isolated molecules. For his work in these areas he has received numerous honours such as the Nernst- Haber -Bodenstein prize (1982), the Otto Klung prize (1984), Otto Bayer prize (1991) and the Paracelsus prize (2002) of the Swiss Chemical Society, as well as the Erwin Schrödinger gold medal of SASP and Innsbruck University (2006) and the BOMEM Michelson Award of the Coblentz Society (2009). He was elected Fellow of the American Physical Society in 1990, member of the German Academy of Sciences Leopoldina (1998), of the Berlin Brandenburg (formerly Prussian) Academy of Sciences (1999) and holds an honorary Dr. rer. nat. h.c. from the University of Göttingen (2009). Since 2011 he is also president (1. Vorsitzender) of the Bunsen Society for Physical Chemistry (DBG). Together with his colleague Frédéric Merkt, Martin Quack has coedited (and coauthored) the 3 Volume Handbook of High Resolution Spectroscopy (Wiley 2011), which is a landmark publication in the field. 8

15.08.2013, Thursday - 09:00-10:00 / Hall 1 Daniel G. Nocera is the Patterson Rockwood Professor of Energy at Harvard University. His group pioneered studies of the basic mechanisms of energy conversion in biology and chemistry. He has recently accomplished a solar fuels process that captures many of the elements of photosynthesis and he has now translated this science to produce the artificial leaf, which was named by Time Magazine as Innovation of the Year for 2011. This discovery sets the stage for a storage mechanism for the large scale, distributed, deployment of solar energy. He has been awarded the Eni Prize, IAPS Award, Burghausen Prize, Elizabeth Wood Award and the United Nation’s Science and Technology Award and from the American Chemical Society the Awards in Inorganic Chemistry, Harrison Howe and Remsen Awards, for his contributions to the development of renewable energy. He is a member of the American Academy of Arts and Sciences and the U.S. National Academy of Sciences. He was named as 100 Most Influential People in the World by Time Magazine and was 11th on the New Statesman’s list on the same topic. Nocera is a frequent guest on TV and radio, he is regularly featured in print and he was in the feature length film Cool It, which premiered in the U.S. in November 2010. His 2006 PBS show was nominated for an Emmy Award, and the show was used as a pilot to launch the PBS NOVA show, ScienceNow. In 2008, he founded Sun Catalytix, a company committed to bringing personalized energy to the non-legacy world.

PLENARY SPEAKERS

DANIEL G. NOCERA

BARRY HALLIWELL 15.08.2013, Thursday - 13:15-14:15 / Hall 1 Pofessor Halliwell is Deputy President (Research & Technology) and Tan Chin Tuan Centennial Professor of Biochemistry at the National University of Singapore (NUS). He graduated from the University of Oxford with BA (1st class) and D.Phil degrees and holds a D.Sc degree from the University of London. An internationally-acclaimed biochemist, Professor Halliwell is known especially for his seminal work on the role of free radicals and antioxidants in biological systems. His book Free Radicals in Biology and Medicine published by Oxford University Press, and now in its fourth edition, is regarded worldwide as an authoritative text in the field. His research focuses on the role of free radicals and antioxidants in human disease, particularly Alzheimer’s disease and other brain disorders. His interest in identifying the most important antioxidants in the human diet and in developing novel antioxidants has critical bearing on treating human diseases and understanding how diet might cause or prevent them.

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PLENARY SPEAKERS

ALAN J. HEEGER 16.08.2013, Friday - 09:00-10:00 / Hall 1 Widely known for his pioneering research in and the co-founding of the field of semiconducting and metallic polymers, Professor Heeger is also the recipient of numerous awards, including the Nobel Prize in Chemistry (2000), the Oliver E. Buckley Prize for Condensed Matter Physics, the Balzan Prize for the Science of New Materials, the Eni Italgas Prize for Energy and the Environment, the President’s Medal for Distinguished Achievement from the University of Pennsylvania, the Chancellor’s Medal from the University of California, Santa Barbara, and honorary doctorates from more than a dozen universities in the United States, Europe and Asia. He is a member of the National Academy of Science (USA), the National Academy of Engineering (USA), a Foreign member of the Chinese Academy of Sciences and a foreign member of the Korean Academy of Science. Prof. Heeger founded UNIAX Corporation in 1990; UNIAX was acquired by DuPont in 2000. Prof. Heeger is Chairman and Co-founder of CBrite Inc. in Santa Barbara, he is co-Founder of Cynvenio, a biotech company focused on cancer detection through molecular analysis of circulating tumor cells (CTCs), . He is Vice-chairman and Co-founder of CytomX and Cynvenio, biotechnology start-up companies.

SERDAR SARICIFTCI 16.08.2013, Friday - 11:30-12:15 / Hall 1 Prof. Sariciftci is Ordinarius Professor for Physical Chemistry and the Founding Director of the Linz Institute for Organic Solarcells (LIOS) at the Johannes Kepler University of Linz/Austria (www.lios.at). He studied at the University of Vienna (Austria) and graduated as PhD in physics in 1989. After two years postdoctoral study at the University of Stuttgart (Germany) he joined the Institute for Polymers and Organic Solids at the University of California, Santa Barbara, USA, by Prof. Alan J. HEEGER, Nobel leaurate 2000 for Chemistry. His major contributions are in the fields of photoinduced optical, magnetic resonance and transport phenomena in semiconducting and metallic polymers. He is the inventor of conjugated polymer and fullerene based solar cells. Prof. Sariciftci published over 500 publications, received over 28000 citations (h-index 72), 8 books and educated several academic and industrial scientists. He also initiated seven spin off companies for organic optoelectronics. In his research, Sariciftci focusses on the solar energy conversion into electricity (photovoltaic) as well as into chemical energy using CO2 recycling. He is recipient of several prizes among them the National Science Prize of TUBITAK Turkey 2006 and the Austrian Scientists of the year Prize for Research 2008. He received the Medal for Humanity of the City of Linz 2009 and the Kardinal Prize for Science of the Archbishop in Vienna 2010. He is the recipient of the Wittgenstein Prize of Austria 2012. He is a Fellow of the Royal Society of Chemistry (FRSC), Fellow of SPIE, and member of several societies such as American Chemical Society, Materials Research Society, Austrian Chemical Society and Austrian Physical Society. Sariciftci received honorary doctorates from the Abo Academy in Finland and the Univ. of Bucharest, Romania. In a ranking of Institute of Scientific Information (ISI, 2011) Sariciftci is ranked as #14 of the world’s material scientists’ top 100 list.

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Claudio J. A. Mota, Federal University of Rio de Janeiro, BRASIL A. M. Kannan, Arizona State University, USA Ewa Wäckelgård, Uppsala University, SWEDEN Chemical Analysis Gary D. Christian, University of Washington, USA Dejian Huang, National University of Singapore, SINGAPORE Jean-Michel Kauffmann, Free University of Brussels, BELGIUM Paul John Worsfold, University of Plymouth, UK Chemical Synthesis Kuiling Ding, Shanghai Institute of Organic Chemistry, CHINA Ihsan Erden, San Francisco State University, USA Ayse Gul Gurek, Gebze Institute of Technology, TURKEY Saverio Florio, University of Bari, ITALY Takao Ikariya, Tokyo Institute of Technology, JAPAN

KEYNOTE SPEAKERS

Clean Energy Through Chemistry

Hiriyakkanavar Ila, Jawaharlal Nehru Centre for Advanced Scientific Research, INDIA Guo-Xin Jin, Fudan University, CHINA Hamdullah Kılıç, Atatük University, TURKEY Wonwoo Nam, Ewha Woman’s University, S.KOREA Fumiyuki Ozawa, Kyoto University, JAPAN Peter Sadler, University of Warwick, UK Canan Unaleroglu, Hacettepe University, TURKEY John Wallis, Nottingham Trent University UK Physical Chemistry Loredana Casalis, SISSA-ELETTRA, ITALY Gero Decher, Louis Pasteur University, FRANCE Wolfgang Ernst, University of Graz, AUSTRIA Sandro Scandolo, ICTP, ITALY Li-Jun Wan, Institute of Chemistry, CAS, CHINA Angela Wilson, University of North Texas, USA Kaoru Yamanouchi, Tokyo University, JAPAN Macro and Nano Science and Technology Pınar Camurlu, Akdeniz University, TURKEY Der-Jang Liaw, National Taiwan University of Science and Technology, TAIWAN John Reynolds, Georgia Institute of Technology, USA Emrah Ozensoy, Ihsan Dogramaci Bilkent University, TURKEY Shie-Ming Peng, National Taiwan University, TAIWAN Gregory Sotzing, University of Connecticut, Storrs, USA Raşit Turan, Middle East Technical University, TURKEY Emrah Unalan, Middle East Technical University, TURKEY Yusuf Yagci, Istanbul Technical University, TURKEY 11

KEYNOTE SPEAKERS

Green Sustainable and Environmental Chemistry Walter Giger, ETH Zurich, SWITZERLAND Philip Hodge, University of Manchester, UK Javier Garcia Martinez, Universitad d’Alacant, SPAIN Mauro Marchetti, CNR Sassari, ITALY Maurizio Peruzzini, CNR Florence, ITALY Semra Tunçel, Middle East Technical University, TURKEY Life Chemistry Ismail Hakki Boyaci, Hacettepe University, TURKEY Ben Davis, Oxford University, UK Mary Garson, AUSTRALIA Ratnesh Lal, University of California, USA Chulabhorn Mahidol, Chulabhorn Research Institute and Chulabhorn Graduate Institute, THAILAND Bruno De Meulenaer, Ghent University, BELGIUM Kazuyuki Tatsumi, Nagoya University (President of IUPAC) JAPAN Zi-ling Xue, University of Tennessee-Knoxville, USA Materials Science Ilhan Aksay, Princeton University, USA Mukerrem Cakmak, University of Akron, USA Kimoon Kim, Pohang University, of Science and Technology, REPUBLIC OF KOREA Hiroshi Nishihara, Tokyo University, JAPAN Kenneth J. Wynne, Virginia Commonwealth University, USA Chemistry Education Alipaşa Ayas, Ihsan Dogramaci Bilkent University, TURKEY Mei-Hung Chiu, National Taiwan Normal University, TAIWAN Sibel Erduran, Bristol University, UK Zafra M. Lerman, USA Peter Mahaffy, King’s University, CANADA Ilka Parchmann, IPN-Liebniz Institute for Science Education, GERMANY Marcy Towns, Purdue University, USA Chemical Industry and Innovation Deniz Korkmaz, KORDSA, TURKEY Banu Özkeser, TEMSA R & D Team Leader Mustafa Yılmaz, Akkök Holding Member of the Board of Directors İhsan Necipoğlu, DOW Chemical, TURKEY

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Prof. Yoshiki Chujo, Japan Prof. Ken Wagener, USA Prof. Nesrin Hasırcı Chemical Synthesis Simon Lewis, South University of Bath, U.K. Macro and Nano Science and Technology Dennis W. Smith, The University of Texas, USA Life Chemistry Michal Hocek, Institute of Organic Chemistry and Biochemistry, Academy of Science Czech Republic

INVITED SPEAKERS

Materials Science

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SOCIAL PROGRAM

WELCOME RECEPTION 11.08.2013, Sunday - 18:30 / Harbiye Military Museum, Main Building, Garden (Included in Registration fee- free entrance)

On Sunday evening , the doors open for the 44th World Chemistry Congress 2013. Participants from all over the world, sponsors, exhibitors come together to celebrate the opening of an interesting congress. Snacks and drinks will be served

CITY TOUR+BOSPHORUS DINNER BY BOAT 14.08.2013, Wednesday - 13:15 (Included in Early Bird Registration fee.)

Admission Fee for City Tour Admission Fee for Bosphorus Dinner by boat City Tour+Bosphorus Dinner by boat:

: 40 USD : 40 USD : 65 USD

Departure Time from İstanbul Lütfi Kırdar Congress and Exhibition Center is for the city tour is 13:15. Departure Time from İstanbul Lütfi Kırdar Congress and Exhibition Center is for the Bosphorus Dinner by boat is 19:30.

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15.08.2013, Thursday - 20:00 / Harbiye Military Museum, Main Building, Garden (Not included in Registration fee.-Admission fee 55 USD)

The congress gala dinner will be held in the garden of Harbiye Military Museum

SOCIAL PROGRAM

GALA DINNER

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SPONSORS

SPONSORS The organisation of the 44th World Chemistry Congress 2013 would not possible without the generous financial support of our sponsors and supporting organisations. Therefore, our particular thanks go to the following organisations and companies: DIAMOND SPONSOR

PLATINIUM SPONSORS

GOLD SPONSOR

Eczacıbaşı Esan SILVER SPONSORS Font: Ocean Sans Book

Renk: Pantone Warm Grey 11,8,6,1

OTHER SPONSORS

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DURATEK COMPANY PROFILE Duratek is specialized in polymer chemistry and it has been designing, producing and marketing mainly epoxy, polyurethane and acrylic based products for almost 40 years. Duratek started its activity under the name of our sister company KISATI in 1973. First production took place in 1976 with tin stabilizers KİSTAB used in transparent PVC products. In 1982, epoxy resin and hardener production started under SCHERING Industrie Chemicalien license. After 1998, the production of epoxy resins and hardeners continued independently with its own know how under MAREPOKS and KISAMID brand names. Duratek started with the production of construction chemicals in mid 80’s. It’s product pallet for construction widened from foundation wrapping materials to water isolation membranes for roofs. Today, Duratek has epoxy and polyurethane based products for Paint - Construction Chemicals, Marine, Composite, Industrial Adhesives and Coatings, Electronics and Automotive industries. Being still the only epoxy raw material producer in Turkey and a formulator of epoxy and polyurethane based materials, Duratek has an integrated product pallet. This character is very unique in the world. The headquarters are located in Gebze Organized Industrial Zone. Duratek serves its customers with its 90 employees through its branch in Tuzla and district offices in Adana, Antalya and İzmir. Duratek has very extensive R&D opportunities in its 300 m2 laboratories, where new products are designed and developed according to the customers’ needs. This makes Duratek a crucial solution partner of a craftsman, a technician, an engineer or a business entrepreneur. R&D expenditure comprises 2% of Duratek’s annual turnover. Duratek operates according to the ISO 9001:2008 certificate obtained from TUV. We give special importance to the environment and we believe that in fact the environmental consciousness is the most important part of quality. Duratek operates all of its activities and working conditions under national and international regulations and laws. Its commitment by signing the ‘’Responsible Care’’ in 2005 is the best proof of that fact.

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PROGRAM AT A GLANCE TIME

11.08.2013

12.08.2013

13.08.2013 Tuesday

Wednesday

09:00-10:00

Plenary Lecture Ryoji Noyori

Plenary Lecture Ada Yonath

10:00-10:15

Coffee Break

10:15-11:30

PARALLEL SESSIONS-1

Sunday

Monday

CETC-O-01 CA-O-01 CCH-O-01 CS-O-01 PC-O-01 MNST-O-01 GSEC-O-01 MS-O-01 MS-O-02 CII-O-01

11:30-12:15

15.08.2013

16.08.2013

Plenary Lecture

Plenary Lecture

Plenary Lecture

Martin Quack

Daniel G. Nocera

Alan Heeger

Coffee Break

Coffee Break

Coffee Break

Coffee Break

PARALLEL SESSIONS-4

PARALLEL SESSIONS-7

PARALLEL SESSIONS-8

PARALLEL SESSIONS-11

CETC-O-04 CA-O-03 CS-O-04 PC-O-04 MNST-O-04 GSEC-O-04 LC-O-04 MS-O-07 MS-O-08 CE-O-01 CE-O-02 CII-O-04

14.08.2013

CS-O-07 PC-O-07 MNST-O-07 GSEC-O-07 LC-O-07 MS-O-12 MS-O-13

Thursday

CS-O-08 PC-O-08 MNST-O-08 GSEC-O-08 LC-O-08 CE-O-07 CE-O-08

Friday

PC-O-11 LC-O-11

Plenary Lecture Niyazi Serdar Sariciftci

12:15-12:30 12:30-13:15

Lunch

Lunch

Lunch

Plenary Lecture Engin U. Akkaya

Plenary Lecture Martin Jansen

Plenary Lecture Barry Halliwell

PARALLEL SESSIONS-2

PARALLEL SESSIONS-5

PARALLEL SESSIONS-9

Registration

13:15-14:15

CETC-O-02 CA-O-02 CS-O-02 PC-O-02 MNST-O-02 GSEC-O-02 LC-O-02 MS-O-03 MS-O-04 CII-O-02

14:15-16:15

CETC-O-05 CA-O-04 CS-O-05 PC-O-05 MNST-O-05 GSEC-O-05 LC-O-05 MS-O-09 MS-O-10 CE-O-03 CE-O-04 GSEC-O-07 LC-O-07 MS-O-12 MS-O-13

16:15-16:30

Coffee Break

Coffee Break

16:30-17:00

PARALLEL SESSIONS-3

PARALLEL SESSIONS-6

17:00-18:00

Lunch

Opening And Plenary Lecture Aaron Ciechanover

CETC-O-03 CS-O-03 PC-O-03 MNST-O-03 GSEC-O-03 LC-O-03 MS-O-05 MS-O-06 CII-O-03

CETC-O-06 CS-O-06 PC-O-06 MNST-O-06 GSEC-O-06 LC-O-06 MS-O-11 CE-O-05 CE-O-06

CS-O-09 PC-O-09 MNST-O-09 GSEC-O-09 LC-O-09 CE-O-09 CE-O-10

Social Program (City Tour + Bosphorus Dinner by Boat)

Coffee Break PARALLEL SESSIONS-10 CS-O-10 PC-O-10 MNST-O-10 LC-O-10 CE-O-11 CE-O-12

18:00-18:30 18:30-19:00 19:00-20:30 20:30-22:00

18

Wellcome Reception

Gala Dinner (Conference Dinner)

Closing Ceremony

HOW TO READ PROGRAM SESSION CODES CETC / Clean Energy Through Chemistry CA / Chemical Analysis CCH / Chemistry for Cultural Heritage CS / Chemical Synthesis PC / Physical Chemistry MNST / Macro and Nano Science and Technology GSEC / Green, Sustainable and Environmental Chemistry LC / Life Chemistry MS / Materials Science CE / Chemistry Education CII / Chemical Industry and Innovation Example: CETC-O-01 : Clean Energy Through Chemistry Oral Session 1 MNST-P-01 : Macro and Nano Science and Technology Poster Session 1

19

SCIENTIFIC PROGRAM

17:00-18:30

Opening And Plenary

Registration Desk Hall-1

The Ubiquitin Proteolytic System From Basic Mechanisms thru Human Diseases and on to Drug Development Aaron Ciechanover 19:00-22:00

Harbiye Military Museum Garden

Welcome Reception

09:00-10:00 Plenary Lecture

Hall 1

11:00-11:15

Future prospective of spectrochemical analysis in inorganic trace and speciation analysis: From macro to microanalytics Henryk Matusiewicz

11:15-11:30

Importance of Nuclear Analytical Techniques for Analysis of Trace Elements and Their Species Namık K Aras, A. Chatt

11:30-11:45

Advances in Atmospheric Pressure Gas Chromatography (APGC) for the analysis of pesticides and persistent organic pollutants (POPs); background and applications Gerard Bondoux, Antonietta Gledhill

11:45-12:00

Ultra Performance Convergence Chromatography: Expanding Selectivity for the Chromatographic Laboratory Sandra Rontree, Berna Oskay, Attila Sever, Helen Boiteux, Laura Montis

12:00-12:15

Development of highly functionalized zwitterionic monolithic columns for capillary liquid chromatography Lee Wah Lim, Toyohide Takeuchi

Chemistry Shapes Our Future Ryoji Noyori 10:00-10:15

Coffee Break

10:15-12:15 / PARALLEL SESSIONS-1 Clean Energy Through Chemistry / CETC-O-01

Hall 7

Session Chairs: Ewa Wackelgard, Dilek Doğutan Kiper 10:15-11:00

Keynote 1: Nano-enabled Catalysts for Low Temperature Fuel Cells A.M. Kannan

11:00-11:15

Multilayer Organized TiO2 Photoanode for Dye-Sensitized Solar Cell Marketa Zukalova, Ladislav Kavan, Arnost Zukal, Jan Prochazka, Michael Graetzel

11:15-11:30

Design of TiO2 Nanocrystal Surface for High Performance Dye-Sensitized Solar Cells Qi Feng, Puhong Wen, Mitsuhiro Okada, Shunsuke Nakanishi, Hiroshi Itoh

11:30-11:45

The Synthesis and Application of Copper (I) Dyes in Dye-Sensitized Solar Cells Kathryn A Wills, Simon E Lewis, Matthew D Jones, Petra J Cameron

11:45-12:00

12:00-12:15

New D-A Conjugated Polymers Based On Fluorinated Accepting Units And Oligothiophenes For High Efficiency Polymer Solar Cells And Field-Effect Transistors Junwu Chen Interhalogen Redox System rendering stable ZnO-based Dye-sensitized Solar Cells Maria Quintana, Tannia Marinado, Mikhail Gorlov, Lars Kloo, Anders Hagfeldt

Chemical Analysis / CA-O-01

Session Chairs: Paul Worsfold, Reşat Apak 10:15-11:00

Hall 14

Keynote 1: The Role of Analytical Chemistry in Society: The Evolution, Tools, Practice and Use, and Teaching of Analytical Science Gary Christian

Chemistry for Cultural Heritage / CCH-O-01

2nd 1stDay Day/ /12.08.2013 11.08.2013/ /Monday Sunday

Registration

2nd Day / 12.08.2013 / Monday

09:00-17:00

Hall 4

Session Chairs: Emre Dölen, Neşe Erdinç 10:15-10:30

HPLC Analysis of Yellow Dye “Phellodendron” to Determining the Provenance of Historical Textiles of East Asia Yoshiko Sasaki, Ken Sasaki

10:30-10:45

Chemical Analysis of Complex Balms from Mummies’ Heads Matthieu Ménager, Clara Azémard, Cathy Vieillescazes

10:45-11:00

Purple Dyestuffs in Antiquity: the Role of 6-Bromoindigotin in Defining the Nature of Biblical Tekhelet Irving I Ziderman

11:00-11:15

Preparation of Different Dispersions Formulation for Consolidation of Jordanian Basaltic Artifacts Heba Michel Alhamaty, Ramadan Abdullah, Abeer Albawab

21

2nd Day / 12.08.2013 / Monday

Chemical Synthesis / CS-O-01

Session Chairs: John Wallıs , Ihsan Erden

10:15-11:00

Keynote 1: Oxazolinylaziridines and Epoxides: Key Players in Organic Synthesis Saverio Florio

11:00-11:15

Development of pyridinium-ylides as promising dipoles for fluorogenic metal-free click reactions Bonte Simon, Chirita Loredana, Ghinea Ioana, Baussanne Isabelle, Dinica Rodica, Demeunynck Martine

11:15-11:30

Chirality Induction to Polymers Using Circularly Polarized Light Tamaki Nakano, Yue Wang, Shiqi Wang, Yasuhito Koyama

11:30-11:45

Synthesis of Bifunctionalised Cyclopentenones from Furaldehyde and Derivatives Carlos A M Afonso, João P M Nunes, Jaime A S Coelho, Stephen Caddick

11:45-12:00

Synthesis of a New Polyphenolic Compound Found in Maple Syrup Sébastien Cardinal, Normand Voyer

12:00-12:15

Regioselective synthesis and pharmacological activities of spirodibenzo [ a, d ] cycloheptene- 5,2’ –[1,3,4] thiadiazole derivatives Farouk Ahmed Gad, Mohamed Ibrahim Hegab, Abdel Rahman Barakat El Gazar, Mohey Ellithey

Session Chairs: Angale Wilson, Gero Decher

Hall 2

10:15-11:00

Keynote 1: Simulating the fate of simple molecules at extreme conditions of pressure and temperature Sandra Scandolo

11:00-11:15

Enriching Computational Chemistry with Chemical Markup Language Semantics Wibe A. de Jong, Andrew M. Walker, Marcus D. Hanwell, Dave M. Brown Jr., William A. Shelton

11:15-11:30

Coupling of Chemistry and External and Internal Mass Transfer in a Stagnation-Flow Reactor: A Modeling Study Hüseyin Karadeniz, Canan Karakaya, Steffen Tischer, Olaf Deutschmann, Olaf Deutschmann

11:30-11:45

TD-DFT Investigations of Donor-Donorπ-Acceptor Based on Anthracene Dye Sensitizers for Solar Cells: Effects of Intramolecular Charge Transfer Siriporn Jungsuttiwong, Wanwiwa Kaenboot, Vinich Promarak, Taweesak Sudyoadsuk, Supawadee Namuangruk

11:45-12:00

The relationship between geometry, magnetism and color in simple bis(phosphine) nickel(II)dihalide complexes: an experimental and theoretical investigation Madeleine Schultz, Philipp Nikolaus Plessow, Frank Rominger, Laura Weigel

12:00-12:15

Macro and Nano Science and Technology / MNST-O-01

Hall 13

Session Chairs: Levent Toppare, Emrah Ünalan

This session is dedicated to late Professor Ayhan Sıtkı Demir.

Physical Chemistry / PC-O-01

22

Hall 1

Assessing The Ligand-Protein Binding Modes with Computational Tools Gülşah Çifci, Viktorya Aviyente, Gerald Monard

10:15-11:00

Keynote 1: High Performance Polyimides, conjugated and metathesis Polymers: Synthesis and Optoelectronic Application Der-Jang Liaw

11:00-11:45

Keynote 2: Nanoelectronics:molecular Metal Wires And Related Molecular Materials Shie-Ming Peng

11:45-12:00

Enhanced Charge Transport and Device Performance in Small Molecule Organic Photovoltaics through Hydrogen Bonding Benjamin M. Schulze, Nathan T. Shewmon, Jing Zhang, Davita L. Watkins, John P. Mudrick, Weiran Cao, Raghida Bou Zerdan, Anthony J. Quartararo, Ion Ghiviriga, Jiangeng Xue, Ronald K. Castellano

12:00-12:15

Powered Paint: Nanotech Solar Ink Brian Korgel, Taylor Harvey, Carl Jackson Stolle, Douglas Pernik, Jiang Du

Green, Sustainable and Environmental Chemistry / GSEC-O-01

Hall 12

Session Chairs: Maurizio Peruzzini, Javier Garcia Martinez 10:15-11:00

Keynote 1: From Classic to Emerging Contaminants in the Aquatic Environment –A 50 Years’ Retrospect and a Current Progress Report Walter Giger

11:00-11:15

The Uptake of Mercury by Sulfur-Containing Carbon Nanotubes Kriveshini Pillay, Ewa Cukrowska, Neil Coville

11:15-11:30

Study of Arsenic In Borehole Sediments of the Jumuna-Meghna Delta and Its Mobilization With Other Metals Mohd Nur E Alam Siddique, Md Jamal Hossain, Md Jahangir Alam, Md Shahin, Mohammad Arifur Rahman, Mohammad Ullah, A M Shafiqul Alam

11:30-11:45

Nano and Porous Materials for Water Treatment and Carbon Dioxide Capture Cafer T Yavuz

11:45-12:00

Acetylated Kapok Fiber As Oil Sorbent Material Supawan Tantayanon, Thitima Tanosawan

12:00-12:15

Adsorption of selenite and arsenate from the aqueous solution on virgin and iron impregnated activated carbon Abdul Naeem, Mairman Muska Yousafzai, Muhammad Irfan Shah, Tahira Mahmood

Life Chemistry / LC-O-01

Session Chairs: Ratnesh Lal, Mustafa Çulha 10:15-11:00

Keynote 1: Metallic Nanoparticle-Based Bioassays İsmail Hakkı Boyacı

11:00-11:15

On Medical Chemistry: Approaches to Chemical Interaction Hormones – Cell Receptors Eva Neu, Michael Ch. Michailov, Ursula Welscher, Janka Foltinova, Germain Weber

Hall 6

Radiolabeled DOTA-glucosamine conjugates – their synthesis and validation as GLUT1 cancer imaging agents Izabela Tworowska, David Ranganathan, Sanjay Thamake, Ebrahim Delpassand

11:30-11:45

Innovative Active Pharmaceutical Drugs as Ionic Liquids Luis C Branco, Alexandra Costa, Gonçalo Vsm Carrera, Ricardo Ferraz, Zeljko Petrovski, Isabel Marrucho, Manuel N Ponte

11:45-12:00

Genochemistry- Chemistry Designed for Life Sciences Zizhang Zhang, Allan Svendsen, Helen Hailes, Hak-Sung Kim, Francesco Nicotra, Miroslava Cuperlovic-Culf

12:00-12:15

Session Chairs: İskender Yılgör, Kenneth J. Wynne

Hall 10

Keynote 1: Ice Release Coatings: a New Laboratory Test / Standardization and Coatings Development Guided ay a Nanosurface and Mesosurface Model Kenneth J. Wynne Invited Speaker: Quantum Molecular Spintronics Based on Multiple-Decker Phthalocyaninato Lanthanide(III) SingleMolecule Magnets Masahiro Yamashita

11:45-12:00

Complexity from Simplicity: Unique Polymer Capsules, Rods, Monoliths and Liquid Marbles Prepared via HIPE-in-Microfluidics M. Talha Gokmen, Busra Dereli, Bruno De Geest, Filip Du Prez

12:00-12:15

Controlled wetting of polymer surfaces: From superhydrophilic to superhydrophobic Cagla Kosak, Emel Yilgor, Iskender Yilgor

12:30-12:45

11:30-11:45

Synthesis and photophysical properties of alpha-omega-bis(terpyridyl)-oligothiophenes and their metallosupramolecular polymers Jirí Vohlídal, Pavla Štenclová, Tereza Vitvarová, Jan Svoboda, Jirí Zedník

11:45-12:00

Photomagnetic Effects in Cyano-Bridged Bimetal Assemblies Hiroko Tokoro, Shin Ichi Ohkoshi

12:00-12:15

‘One Step’ Reaction strategies from Janus Platforms to reach well-controlled selfassemblies: Alternatives to SAMs David Kreher, Ping Du, Fabrice Mathevet, André Jean Attias, Fabrice Charra

Chemical Industry and Innovation/ CII-O-01 10:15-11:00

Keynote 1: New Product Development: Creatıng Value Wıth Market Orıented Innovatıon Deniz Korkmaz

11:00-11:45

Keynote 2: The Story Behind the Brand Banu Ozkeser

11:45-12:00

The Effect of Hydrogen Enrichment of Methane Fuel on Flame Stability and Emissions Onur Tuncer

12:00-12:15

Production of p-Xylene by Highly Selective Methylation of Toluene Muhammad Tahir Ashraf, Rachid Chebbi,Naif Abdelaziz Darwish

12:15-13:15 LUNCH 13:15-14:15

Novel phenomena for aggregation induced emission enhancement: highly fluorescent hydrophobic TPE-BODIPY couples in both organic and aqueous media Serdar Atılgan, Melek Bağlan, Sevilay Öztürk, Bahri Gür, Kadem Meral, Uğur Bozkaya, Ozgur Altan Bozdemir

Session Chairs: İskender Yılgör, Kenneth J. Wynne

Hall 11

10:15-11:00

Keynote 2: Nanostructured Materials by Covlaent Self-Assembly Kimoon Kim

11:00-11:15

Photoinduced Switching of NitroSpiropyran-dithiolane Self-assembled Monolayer Using In Situ Sum Frequency Generation (SFG) Spectroscopy Tamim Darwish, Yujin Tong, Michael James, Tracey Hanley, Qiling Peng, Shen Ye

Plenary Lecture

Hall 1

Towards Selective and Autonomous Activation of Therapeutic Agents: A Progress Report

Tuning Transparent - Conducting Tin Oxide Properties Using Aerosol - Assisted Chemical Vapour Deposition Nuruzzaman Noor, Ivan P Parkin

Materials Science / MS-O-02

Hall 5

Session Chairs: Selçuk Karaata, Onur Tuncer

11:00-11:45

12:15-12:30

Supramolecular Polymerization of C3Symmetric Organogelators: Cooperativity, Solvent and Gelation Relationship Fatima Aparicio, Fatima García, Luis Sánchez

Synthesis of single chain Nitro-Tyrosine B16 des Thr-B30 Mohamed Zewail

Materials Science / MS-O-01 10:15-11:00

11:15-11:30

2nd Day / 12.08.2013 / Monday

11:15-11:30

Engin U. Akkaya


Hall 7

Session Chairs: A. M. Kannan, Oliver James Good 14:15-15:00

Keynote 2: Development In Solar Absorber Coatings-Shift In Deposition and Application Techniques Ewa Wäckelgard

15:00-15:15

Novel Crosslinkable Alkaline Anion Exchange Membranes For Fuel Cells Sedef Piril Ertem, Tsung Han Tsai, Edward Bryan Coughlin

15:15-15:30

Hydrothermal Synthesis of Solid Oxide Fuel Cell Electrolyte Materials Oliver James Good, Richard John Darton, Robert Mark Ormerod

15:30-15:45

Carbon-supported Binary and Ternary PtSnM/C Catalysts for Direct Ethanol Fuel Cell K. B. Kokoh, C. Coutanceau, P. Olivi, A. R. De Andrade, Germano Tremiliosi Filho 23

2nd Day / 12.08.2013 / Monday

15:45-16:00

A Novel Perovskite Catalyst with High Selectivity and Activity for Partial Oxidation of Methane for Fuel Cell Applications John Staniforth, Samuel Ethan Evans, Oliver James Good, Richard John Darton, Robert Mark Ormerod

16:00-16:15

Synthesis and Characterization of Polyphosphazene based Proton Exchange Membranes for Fuel Cell Applications Mariamu Kassim Ali, Burak Yigen, Yunus Karatas, Selmiye Alkan Gursel


Session Chairs: Gary Christian, Namık Kemal Aras 14:15-15:00

Keynote 2: Investigating the Chemistry of the Oceans Using Flow Injection Analysis Paul Worsfold

15:00-15:15

Application of atmospheric pressure photon ionization hydrogen deuterium exchange mass spectrometry (APPI-HDX MS) for speciation of nitrogen-containing compounds in heavy crude oils Sunghwan Kim, Yun Ju Cho, Ahmed Arif

15:15-15:30

15:30-15:45

Flow Field-Flow Fractionation and Mass Spectrometry for Lipidomic Analysis of Human Lipoproteins Myeong Hee Moon Extraction Of Arsenic Species In Tailing From The Small-Scale Gold Mining In Selogiri, Wonogiri Regency, Central Java, Indonesia Noor Fitri, Arifudin Idrus, Gita Nurmalasari, Krisna Merdekawati

15:45-16:00

Determination of Haloacetic acids in swimming pool waters by membraneprotected micro-solid phase extraction Basheer Chanbasha

16:00-16:15

Effect of plant growth regulators on physiology, proximate composition and antioxidant status of broccoli (brassica oleracea L.) Misbah Hameed, Bushra Sultana, Farooq Anwar, Hassan Munir, Muhammad Mushtaq


Session Chairs: John Wallıs , Ihsan Erden

Keynote 2: Preparation of Chiral Organic Conducting Materials, and Investigations of Bond Formation in Peri-Naphthalene Systems John WALLIS

15:00-15:15

Sequential Molecular Multifunctionalization through a Lactone Reactivity Gradient Matthew B. Baker, Jonathan Tasseroul, Ashton N. Bartley, Renan B. Ferreira, Andrew J. Lampkins, Alexandre Al Abbas, Khalil A. Abboud, Ion Ghiviriga, Ronald K. Castellano

15:30-15:45

Synthesis and Characterization of Some New 5-[2, 4-di (4- chlorobenzyloxy) phenyl] 3-(4-substituted phenyl)-2-pyrazolines Farouq Emam Hawaiz, Faiq Hama Saed Hussein, Hashim Jalal Azeez

16:00-16:15

Designing Sensible Fluorescent Chemosensors for Biological Thiols: A Tale of Prescribed Selectivity Murat Isik, Ruslan Guliyev, Safacan Kolemen, Yigit Altay, Berna Senturk, Turgay Tekinay, Engin Umut Akkaya


Targeting the Anti-Cancer Warhead: Synthesis of Porphyrin-Dendron Conjugates for Photodynamic Therapy Francesca Bryden, Antoine Maruani, Mark E.B. Smith, Stephen Caddick, Ross W. Boyle Design and synthesis of polyrotaxanes for bimodal imaging Guillaume Vives, Wilfried Fredy, Valérie Marvaud, Bernold Hasenknopf

Hall 2

Session Chairs: Sandro Scandolo, Kaouri Yamanouchi 14:15-15:00

Keynote 2: Thermochemical Predictions Across the Periodic Table W. Jiang, G. Schoendorff, M. Laury, C. Peterson, A.K. Wilson

15:00-15:15

Global Structure Optimization of Cytosine and Guanine DNA Base Oligomers Artür Manukyan, Adem Tekin

15:15-15:30

Computational Modeling of Actinide Chemistry in Realistic Environments Wibe A. de Jong, Eric J. Bylaska, Samuel Odoh, Raymond Atta Fynn

15:30-15:45

Encapsulation of Nile Red in polypyrrole microvessels Daria Kepinska, Krystyna Kijewska, Maciej Mazur

15:45-16:00

Structural and Thermodynamic Study of Hydroxybenzamide Cocrystals Alexey Nikolaevich Manin, Alexander Pavlovich Voronin, German Leonidovich Perlovich

16:00-16:15

Thermodynamic Study on the Complexation of Some Carboxylic and Amino Acids in the Ionic Liquid + Water Media Kavosh Majlesi, Saghar Rezaienejad


Hall 13

Session Chairs: Shie-Ming Peng, Brian Korgel 14:15-14:30

Synthesis and Characterization of Silver/ Chitosan/Gelatin Bionanocomposites by Chemical Reducing Method and Their Antibacterial Activities Mansor Bin Ahmad, Jenn Jye Lim, Kamyar Shameli

14:30-14:45

Applications for Polymer Brushes in Biosensors M Elizabeth Welch, Nicole Ritzert, Youyong Xu, Hongjun Chen, Norah Smith, Michelle Tague, Barbara Baird, Héctor Abruña, Thomas Doublet, George Malliaras, Christopher Ober

14:45-15:00

Nanoscale Amphiphilic Macromolecules: Designing Compounds to Inhibit Oxidized Low-Density Lipoprotein Uptake Kathryn E Uhrich

15:00-15:15

Synthesis and Characterization of Linear Dendritic Copolymers Huseyin Esen

15:45-16:00

Sonocatalysts The Superiority Of Photocatalysts In Wastewater With High Concentrations of Pollutants Color Mohammad Ebrahim Olya, Azam Pirkarami

16:00-16:15

Colloidal Quantum Dot Light-Emitting Diodes Seonghoon Lee

Hall 1

14:15-15:00

15:15-15:30

24

Hall 14

15:45-16:00

Session Chairs: Maurizio Peruzzini, Javier Garcia Martinez 14:15-15:00

Keynote 2: Air Pollution In The Eastern Mediterranean: Chemical Composition And Sources Semra Tuncel, Gürdal Tuncel

15:00-15:15

Porous Covalent Organic Polymers For CO2 Capture and Separation Ali Coskun, Ali Coskun, Sang Hyun Je, Hasmukh Patel

15:15-15:30

Comparative Study of the potential of Renewable Energy Sources Between Turkey and Poland Serpil Savci, Tomasz Cholewa

15:30-15:45

[Zn(8-hydroxyquinoline)2]- Bentonite: A Sensor Film for Dissolved Oxygen Nitikorn Chuekuna, Ladda Meesuk, Atchana Wongchaisuwat

15:45-16:00

Pursuance of functionalized Titania nano particles on morphology and gas permeation of stand alone Cellulose Acetate membranes Sarah Hafeez, Arshad Hussain, Muhammad Mujahid


Hall 6

Session Chairs: İsmail Hakkı Boyacı, Zizhang Zhang 14:15-15:00

Keynote 2: Amyloid Ion Channel Paradigm for Alzheimer’s and Other Protein Misfolding Diseases Ratnesh Lal

15:00-15:15

Comparative evaluation of urease inhibitor to control urea losses Munazzah Meraj, Rao Irfan, Sadia Javed, Asad Meraj, Gulam Mashoori, M Daud Ali Alvi, Khalil Ur Rehman

15:15-15:30

Synthesis of biologically active compounds modified with carborane pharmacophore Agnieszka Boguslawa Olejniczak, Magdalena Bialek Pietras, Anna Adamska, Miroslawa Studzinska, Edyta Paradowska, Agnieszka Jablonska, Patrycja Suski, Zbigniew Lesnikowski

15:30-15:45

15:45-16:00

16:00-16:15

Measurement of alpha-dicarbonyl compounds from sugar autoxidation Glen D Lawrence, Rahime Iclal Birtek, Swathi Manne Nanoparticles, Leaf Cutting Ants and Environmental Toxicity Joao Batista Fernandes, Rodrigo O. S. Kitamura, Moacir R. Forim, Odair C. Bueno, Marisa N. Fernandes, M. Fatima G. F. Da Silva, Paulo C. Vieira, Ana P. Terezan Synthesis, spectral, in vitro anti-proliferative activity, DNA binding and cleavage studies of isatin thiosemicarbazones derivatives Amna Qasem Ali, Teoh Siang Guan, Abdussalam Salhin Mohamed


Session Chairs: İskender Yılgör, Amitav Sanyal 14:15-15:00

15:00-15:15

Novel Micro- and Mesoporous Composites of Silica Aerogel with a Metal Organic Framework Zeynep Ülker, Ilknur Eruçar, Seda Keskin, Can Erkey

15:15-15:30

Effects of Sol-Gel Parameters On Physical Properties Of Silica Aerogels Metin Karayilan, Can Erkey

15:30-15:45

Fabrication of Self-Healing Composite Nanofibers via Core-Shell Electrospinning for Load Bearing Applications Burcu Saner Okan, Jamal Seyyed Monfared Zanjani, Mehmet Yildiz, Yusuf Menceloglu

15:45-16:00

Porphyrin-Based Nanomaterials for Sensing and Memory Applications Shinsuke Ishihara, Jonathan P. Hill, Jan Labuta, Katsuhiko Ariga

16:00-16:15

Molecular Modeling of ZIF Membranes for CO2 Capture Seda Keskin, Gamze Yılmaz

Hall 12

Hall 10

Keynote 3: Functionalized Graphene In Energy Storage Applications İlhan A. Aksay


Session Chairs: Kimoon Kim, Tamim Darwish

Hall 11

14:15-15:00

Keynote 4: Interfacial Synthesis of Redoxactive Metal Complex Nanowires and Nanosheets Hiroshi Nishihara

15:00-15:15

PEO based PUU-silica nanocomposites: Effect of filler size on molecular mobility, soft segment crystallinity and mechanical strength Oguzhan Oguz, Ozge Malay, Cagla Kosak, Emel Yilgor, Iskender Yilgor, Yusuf Ziya Menceloglu

15:15-15:30

Synthesis and Characterization of PolyimideSilica Hybrid Materials Containing Phenylphosphine Oxide Group Canan Kızılkaya, Merve Biçen, Sevim Karataş, Atilla Güngör

15:30-15:45

Synthesis and Characterization of Polyimides Containing Modified Carbon Nanotubes Sevil Türker, Merve Biçen, Sevim Karataş, Nilhan Kayaman Apohan

15:45-16:00

Preparation of Hybrid Nonocomposites Based on Acrylic Matrix, Silesquioxane Sequences, Titania and Ag/Au Nanoparticles Andreea Laura Chibac, Violeta Melinte, Tinca Buruiana, Emil Constantin Buruiana

16:00-16:15

Intercalation and Exfoliation of Sodium Layered Silicates Cléo Thomás Gabriel Vilela Menegaz Teixeira Pires, Claudio Airoldi

Chemical Industry and Innovation/ CII-O-02

2nd Day / 12.08.2013 / Monday


Hall 5

Session Chairs: Banu Özkesen, Deniz Korkmaz 14:15-15:00

Keynote 3: Chemical Industry and Innovation - Through science and actions İhsan Necipoğlu

15:00-15:45

Keynote 4 : New Normals in INNOVATION Mustafa Yılmaz

15:45-16:00

Advances in Size Characterization of Synthetic Polymers Gerard Bondoux, Jean Michel Plankeele, Edouard S.p. Bouvier, Bonnie A. Alde 25

2nd Day / 12.08.2013 / Monday

16:00-16:15

Modern Anti-İnjector Fouling Additives For Diesel Fuels Leszek Ziemianski, Grazyna Zak, Michal Wojtasik, Zbigniew Stepien

17:45-18:00

Electrophile-catalyzed cascade cyclisation of geranyl sulfonamide and carbamate derivatives Muhammet Yildirim, Hamza Karakuş, David W. Knight

16:15-16:30

Coffee Break

18:00-18:15

Use of Enantiomerization Property of Axially Chiral Compounds Sajid Jahangir, Marvi Jabbar


Hall 7

Session Chairs: Onur Tuncer, Marketa Zukalova 16:30-16:45

Semi-empirical model for direct methanol fuel cells Yong Hee Chung, Asad Mehmood

16:45-17:00

Determınatıon of Kınetıc Parameters on Bınary and Ternary Pt Based Electrocatalysts for Oxygen Reductıon Reactıon Figen Kadirgan

17:00-17:15

Vectorial Design of Supramolecular Dyes and Enhanced Performance of TiO2 Solar Cells Henrique Eisi Toma, André Luis Parussulo, Koiti Araki

17:15-17:30

A Simple Strategy For Improving Mechanical Characteristics Of Carbon Nanotube-Epoxy Composite Through Functionalization of Carbon Nanotubes by Epoxy Chains Ehsan Moaseri, Behnaz Bazubandi, Majid Karimi, Majid Baniadam , Morteza Maghrebi

17:30-17:45

Stability and Performance of Nanostructured Electrodes for Solid Oxide Fuel Cells Fatih Dogan, Aligul Buyukaksoy, Ayhan Sarikaya, Vladimir Petrovsky

17:45-18:00

Synchrotron Study Of The Charge-Discharge Process Of Li/S Batteries Jean François Colin, Sylwia Walus, Barchasz Céline, Martin Jean Frédéric, Elkaïm Eric, Leprêtre Jean Claude, Alloin Fannie

18:00-18:15

Chemical Management for Efficient Inorganic-Organic Hybrid Nanostructured Solar Cells Sang Il Seok, Jun Hong Noh, Tarak N. Mandal


Session Chairs: Hiriyakkanavar Ila, Lokman Torun 16:30-17:15


Session Chairs: Li- Jun Wan, Wolfgang Ernst 16:30-17:15

Keynote 3: Hydrogen Atom Migration in Hydrocarbon Molecules Induced by Intense Laser Fields Kaoru Yamanouchi

17:15-17:30

Noncovalent Interactions of Aromatic Molecules Snezana D Zaric, Goran V Janjic, Dusan Sredojevic, Dusan Veljkovic, Jelena Andric, Dragan Ninkovic, Dubravka Vojislavljevic, Predrag Petrovic

17:30-17:45

Delivering Drug Molecules via Cucurbiturils Deniz Karataş, Adem Tekin

17:45-18:00

Peculiarities of Phase Diagrams of Systems With Ethyl Acetate and N-Propyl Acetate Synthesis Reactions Under the Isothermal Conditions Maria Alexandrovna Toikka, Alexander Toikka, Maya Trofimova, Alexandra Golikova

18:00-18:15

Electrogenerated chemiluminescence of Ru (byp) 3+2 (dibutylamino) ethanolsystem Aziz Ur Ur Rehman, Wei Zhang, Yali Yuan, Lianzhe Hu, M. Rehan Hasan Shah Gilani, Guobao Xu


17:15-17:30

Sweet Catalysis – Pseudo Enantiomeric Carbohydrate Ligands in Asymmetric 1,4-Additions Fabian Albrecht, Holger Grugel, Mike Martin, Kwabena Boysen

17:30-17:45

Design and Straightforward Synthesis of Novel Phosphorus Ligands for Challenging and Asymmetric Cross-coupling Reactions Run under Greener Reactions Conditions Oleg M. Demchuk, K. Kielar, K. Michal Pietrusiewicz

16:30-16:45

Silicon Photonics with Silicon Microspheres Ali Serpenguzel

16:45-17:00

Preparation and Characterization of Multiwalled Carbon Nanotubes/Poly (Vinyl Chloride) Nanocomposites Khalid Saeed, Naseeb Khan

17:00-17:15

The dihydrated calcium phosphate fixator and stabilizer of glutaradehyde Bouzid Mohammed, Djadi Amina, Guechtoulli Samira

17:15-17:30

Ultra-fast Catalysis of Dyes by Gold Sol Syeda Sara Hassan, Sirajuddin Sirajuddin Sirajuddin

17:30-17:45

Cellulose: One Alternative in the Search of the New Nanomaterials Janyeth Pauline Poloche Bustamante, Yuranny Andres Gonzales Jurado

17:45-18:00

USY Zeolite Supported W, Ni and Ni-W Hydrocracking Catalysts Prepared via Reactive Supercritical Deposition Amir Hossein Habibi, Selmi Erim Bozbag, Ayşe Meriç Kartal, Can Erkey


Session Chairs: Semra Tuncel, Cafer T. Yavuz 26

Hall 13

Session Chairs: Hüseyin Esen, Kathryn E Uhrich

Hall 1

Keynote3: Functionalization of Pyrroles: Construction of Porphyrins, Porphyrinoids and Bicyclic 5-5 Systems Canan Unaleroğlu

Hall 2

Hall 12

Keynote 3: First Refinery Results Of Mesostructured Y Zeolites As Hierarchical Fcc Catalyst M. Rico, A. Grau, Kunhao Li, J. GarciaMartinez

17:15-17:30

Mustard Carbonate Analogues Fabio Arico, Serena Evaristo, Pietro Tundo

17:30-17:45

Sustainability and the U.S. National Science Foundation Deborah Aruguete

17:45-18:00

17:30-17:45


Session Chairs: Lin Ye, Hiroko Tokoro


Session Chairs: Gülaçtı Topçu, Izabela Tworowska 16:30-16:45

Terpenoids of Salvia Species as Potential Anti-Alzheimer Drugs Gülaçtı Topçu

16:45-17:00

Optimization of Cholesterol Lowering Drug Lovastatin Production by Response Surface Methodology Sadia Javed, Munazzah Meraj, Shazia Anwer Bukhari, Iram Zovia, Iftikhar Hussain Bukhari

17:00-17:15

Potential Anticancer Agents From Selected Zingiberaceae Species Sri Nurestri Abd Malek, Guan Serm Lee, Sok Lai Hong, Syarifah Nur Syed Abdul Rahman, Zarith Safinaz Dol Bakri, Chung Weng Phang, Behrooz Banisalam

17:15-17:30

Clinical Test of Product Indonesian Jamu Temulawak as Antihepatotoxic Nurfina Aznam, Sri Atun, Retno Arianingrum

17:30-17:45

Haptoglobin diagnosis: a novel impidimetric biosensor for a cancer biomarker Münteha Nur Sonuç, Ç. Sayikli Şimşek, M. Çetin Canbaz, M. Kemal Sezgintürk


Session Chairs: Metin Karayılan, Zeynep Ülker

Non–Aqueous Based Poly(Vinyl Alcohol) Proton Conducting Polymer Electrolytes With Addition Of Ionic Liquid Ramesh T.subramaniam, Chiam–wen Liew, A.k. Arof

16:45-17:00

Sulfonated PAEK Membranes Embedding Mesoporous Benzene-silica for Enhanced Proton Conduction and Anti-dehydration Dukjoon Kim, Junghwa Park

17:00-17:15

Novel Solid Polymer Electrolyte for Nonflammable Lithium Ion Battery Takaya Sato, Takashi Morinaga, Toshio Kamijo, Kohji Ohno, Yoshinobu Tsujii

17:15-17:30

Design and synthesis of novel conjugated polymers for use in photovoltaic cells Malika Jeffries-EL, Brandon Michael Kobilka, Monique Donica Ewan, Benjamin James Hale

17:30-17:45

5-(Methacrylamido)tetrazole and Vinyl triazole Based Copolymers as Novel Anhydrous Proton Conducting Membranes Deniz Sinirlioğlu

17:45-18:00

Bulk Heterojunction Organic Photovoltaics Based on Porphyrins Xiaobin Peng, Yuying Huang, Lisheng Li


Human Bone Marrow Mesenchymal Stem Cell Differentiation on Biomimetic Elastin and Collagen Type I Blends Betül Çelebi, Antonella Bandiera, Diego Mantovani

16:45-17:00

A Novel Hydrogen Bonded Bimetallic Supramolecular Coordination Polymar {[Snme3(Bpe)][Ag(CN)2][H2O]2} As Anticancer Drug Safaa El Din Hassan Etaiw

17:00-17:15

Novel Polymeric Materials for Biomolecular Immobilization Amitav Sanyal

17:15-17:30

Self-Assembled Dendritic Constructs as Drug Delivery Platforms Rana Sanyal, Rana Sanyal, Burcu Bolu, Ece Manavoğlu, Nazlı Böke, Özgül Gök

Hall 5

Session Chairs: Gerard Bondoux, Mustafa Yılmaz 16:30-16:45

DOW Automotive Systems 2K Polyurethane Technology: From Semi-Structural Add-On Bonding Towards Structural Composite Assembly Andreas Lutz, S. Schmatloch

16:45-17:00

Elaboration of Synthetic Wood Starting From Lignin Extracted from Peat Harold Andrés Salamanca Ortiz, Jesús Álvaro Jiménez Montoya, Andrea Catalina Rodríguez Murcia, Harold Andrés Salamanca Ortíz

17:00-17:15

Biosorption Hydrocarbons (Oil) and Heavy Metals (Hg, Pb And Cd) Through the Use of Human Hair Christian David Sánchez Barinas

17:15-17:30

An Investigation of Photonic Behavior of 6-Nitro-1,’ 3,’3’-Trimethylspiro[2H-1Benzopyran-2,2’-Indoline Zaharah Wahid

Hall 10

16:30-16:45

Hall 11

16:30-16:45

Hydrothermal Synthesis of Nuclear Waste Storage Materials Matthew William French, Richard John Darton Hall 6

Design of Efficient Core-Shell Nanoparticles based on Synthetic Peptides and Proteins for the Delivery of Anti-Cancer Drugs Martina Stenzel, Yoseop Kim, Hongxu Lu, Yanyan Jiang

2nd Day / 12.08.2013 / Monday

16:30-17:15

18:00-19:00 / POSTER SESSIONS-1

27

3rd Day / 13.08.2013 / Tuesday

09:00-10:00

Plenary Lecture

11:30-11:45

One step isolation of bioactive compounds from exotic brazilian fruit using 2D MPLC X UHPLC/TOF/MS monitoring Maria Luiza Zeraik, Emerson Ferreira Queiroz, Ian Castro Gamboa, Dulce Helena Siqueira Silva, Muriel Cuendet, Jean Luc Wolfender, Vanderlan Bolzani

11:45-12:00

Adsorption Characteristics of α-amylase on Packed Bed Polystyrene-cyclodextrin; Effect of Spacer Arm Size in Affinity Chromatography Sri Widarti, Muhammad Bachri Amran, Zeily Nurachman, Buchari Buchari

12:00-12:15

Effect of Na+ and K+ ions on G-quadruplex nanostructures structural conformations Ana Maria Oliveira- Brett, Ana Maria Chiorcea Paquim, Ramon Eritja, A. Dora R. Pontinha

12:15-12:30

Ultra trace determination of Cr(VI) and Pb(II) by microsample injection system flame atomic spectroscopy in drinking water and treated and untreated industrial effluents Jameel Ahmed Baig, Latif Elci, Tasneem Gul Kazi

From basic science to advances in medicine Ada Yonath 10:00-10:15

Coffee Break


Hall 9

Session Chairs: Qi Feng,,Selmiye Alkan Gürsel 10:15-11:00

Keynote 3: Towards a Green and Sustainable Chemical Industry: Use of Biomass and CO2 as Feedstock Claudio J. A. Mota

11:00-11:15

Fuel Consumption Of Gasoline Ethanol Blends At Different Engine Rotational Speeds Viola Ibrahim Mikhail, Youssef Barakat Youssef, Ezis Naguib Awad, Mohamad Youssef El Kady

11:15-11:30

The First Efficient Synthesis And Structural Characterization Of Metallohangman Porphyrins And Hangman Corroles For Electrochemical Water Oxidation, Oxygen Reduction, And Hydrogen Evolution Dilek Dogutan Kiper, Daniel George Nocera

11:30-11:45

Coal Based Power Generation And The Imperatives Of Clean Coal Technology- A Study Of Nigeria Coal Based Independent Power Projects Christian Chukwudi Enebe

11:45-12:00

New Sensitizers for Dye Sensitized Solar Cells Sajida Noureen, Stefano Caramori, Antonio Monari, Xavier Assfeld, Carlo A Bignozzi, Marc Beley, Philippe C Gros

12:00-12:15

Advanced Pulse Epr Spectroscopy and Dft Investigations of Biomimetic and Bioinspired Model Complexes of the [2fe]H Subcluster in the [Fefe] Hydrogenase Active Site Özlen F. Erdem, Edward J. Reijerse, Sascha Ott, Marcetta Y. Darensbourg, Wolfgang Lubitz


Session Chairs: Dejian Huang, Abdul Wahab Manarvi

28

Hall 1

Chemical Synthesis / CS-O-04 Session Chairs: Alan Krief, Canan Unaleroglu 10:15-11:00

Keynote 4: Molecular Diversity by Design: New Strategies for Heterocycle Synthesis Hiriyakkanavar ILA

11:00-11:45

Keynote 5: Progress Toward Efficient Total Syntheses of Acylfulvenes, a New Class of Potent Antitumor Agents Ihsan Erden

11:45-12:00

Sugar-Derived Amine Catalyzed Intramolecular Diels-Alder Reactions Tony K M Shing, Ho T. Wu, Kwun W. Wu

12.00-12.15

A Simple and convenient preparation of novel bio active poly substituted quinolines Salih Ökten, Osman Çakmak, Ramazan Erenler, Seda Duman, Merve Çınar, Tuğba Kul Köprülü, Şaban Tekin

12.15-12.30

Total Synthesis and Antibacterial Evaluation of (±)-7-Butyl-6,8-dihydroxy-3-pentyl-3,4dihydroisocoumarin Hummera Rafique, Aamer Saeed

Hall 15

10:15-11:00

Keynote 3: Electroanalysis in Biomedical and Pharmaceutical Sciences J. Michel Kauffmann

11:00-11:15

A solid-state sensor based on poly(2,4,6triaminopyrimidine) film doped with gold nano-particles for biological applications Emad Khudaish, Fakhra Alnofli, Salim Alharthi

11:15-11:30

Modification of Small Molecule Chemical Contaminants for Immunochemical Detection Özlem Ertekin, Fatma Betül Güloğlu, Şeyda Pirinçci, Sevecen Tuğlu, Tuğrul Kaymak, Selma Öztürk

Hall 1


Session Chairs: Li Loredana Casalis, Viktorya Aviyente

Hall 2

10:15-11:00

Keynote 4: Molecular Reaction and Resulting Assembly in Chemical Environment Investigated by STM Li-Jun Wan

11:00-11:15

Photochemistry of 1-Acylaminoanthraquinones Sarah Jane Schmidtke Sobeck

11:15-11:30

Impact of Esterification and Thionation on the Photochemistry of Para-Aminobenzoic Acid Sarah Jane Schmidtke Sobeck

11:30-11:45

SemiEmpirical (NDDO) Born-Oppenheimer Molecular Dynamics of Biomolecular Systems Antoine Marion, Francesca Ingrosso, Gérald Monard

The Solvent Effect on the Propagation Kinetics of Acrylic Acid and Methacrylic Acid İsa Değirmenci, Tuğba Özaltın, Özlem Karahan, Viktorya Aviyente

12:00-12.15

Femtogram-level Detection of Staphylococcal Enterotoxin B Using MEMS Based Micro Electrochemical Sensor Hatice Ceylan Koydemir, Deniz Hocaoglu, Haluk Kulah, Canan Ozgen


Hall 13


Session Chairs: Bruno De Meulenaer, Tuğba Mehmetoğlu 10:15-11:00

Keynote 3: Chemistry of the Nitrogenase P-Cluster Kazuyuki Tatsumi

11:00-11:15

Bismuth(III) amino arenesulfonates – Powerful antibiotics against H. pylori Madleen Busse, Philip C. Andrews, Peter C. Junk, Richard L. Ferrero

11:15-11:30

Antiviral compounds from Caralluma tuberculata as potential candidate inhibitor of HCV NS3 Serine Protease Sobia Noreen, Ishtiaq Hussain, Muhammad Ilyas Tariq, Qamar Ul Zaman, Tayyab Hussain, Aqeel Khan, John M Gardiner

11:30-11:45

Cytotoxic Effects of Some Flavanon Isolated Compounds from Kaempferia rotunda by In vitro on Human Cell Lines Sri Atun, Retno Arianingrum, Nurfina Aznam, Sri Nurestri Abdul Malaek

11:45-12:00

An Efficient Route Towards ThioBisphosphonic Acids For The Treatment Of Arthritis Maha Darwish Khidre, Wafaa Mahmoud Abdou

12:00-12.15

Electron-transfer rates govern product distribution in “wired” P450 electrodes Andrew K Udit, Michael G Hill

Session Chairs: Tierui Zhang,, Pınar Çamurlu 10:15-11:00

11:00-11:15

11:15-11:30

Keynote 4: Zinc Oxide Nanowires: From Synthesis to Applications Emrah Unalan A promising combination of benzotriazole and quinoxaline units: a new acceptor moiety toward synthesis of multipurpose donor– acceptor type polymers Serife Ozdemir Hacioglu, Merve Sendur, Gozde Oktem, Ozdemir Dogan, Levent Toppare Synthesis And Characterization Of Tio2/ Montmorillonite Photocatalyst Gülhan Köneçoğlu

11:30-11:45

Structure – Property Relations In Conducting Poylmers For Electrochromic Applications Buket Zaifoglu, Naime Akbasoglu Unlu, Serife Ozdemir Hacioglu, Levent Toppare

11:45-12:00

Micelle Controlled Synthesis of Alumina Supported-Calcium Oxide Nanocatalysts and their Applications in Photodegradation of Industrial Pollutants Muhammad Akhyar Farrukh, Ayesha Imtiaz



Session Chairs: M. Talha Gökmen, Siegbert Schmid

10:15-11:00

Keynote 4: Towards Green Polymers Philip Hodge

11:00-11:15

Supramolecular Peptide- Copper Hybrid Nanofibers for Click Reactions Mohammad Aref Khalily, Ruslan Garifullin, Mustafa Ozgur Guler

11:15-11:30

Crosslinked Urease Nanoaggregates and Their Potential Utility in Chemical Reactions Tugce Akkas, Alpay Taralp, Anastasia Zakharyuta

11:30-11:45

Bioactive-based Polymers: Applications for Skin Care Kathryn E Uhrich

11:45-12:00

Biopolymers from Agricultural and Marine Waste: a Case of Green, Sustainable and Environmental Chemistry (The Biopmat Network) Raúl Cortés García, Josué Cortés Zárate, Addy María Gómez, Alberto López Juarez

12:00-12:15

Synthesis and Thermal Study of Poly(Butylene Itaconate) after Modification with Divinyl Benzene and Glycerol Atmanto Heru Wibowo, Ninis Makhnunah, Denny Irawati, Candra Purnawan, Ari Handono Ramelan, Henning Storz, Klaus Dieter Vorlop

Hall 10

10:15-11:00

Invited Speaker 1: Mainchain-Type Organoboron Polymers:Synthesis and Photoluminescence Properties Yoshiki Chujo

11:00-11:15

Mechanism for Strong Binding of CdSe Quantum Dots to Multiwall Carbon Nanotubes for Solar Energy Harvesting Seyla Azoz, Gayatri Keskar, Fang Ren, Alp Alkas, Charles Mcenally, Analisse Marquez, Jie Jiang, Nebojsa Marinkovic, Gary Haller, Sohrab Ismail Beigi, Lisa Pfefferle

11:15-11:30

Transparent and conductive thin films of both carbon nanotubes- and graphene-based nanocomposites: synthesis, characterization and applications Aldo Jose Gorgatti Zarbin, Rodrigo Villegas Salvatierra, Edson Nossol, Samantha Husmann, Sergio Humberto Domingues, Hiany Mehl, Vitor Hugo Rodrigues Souza, Eduardo Guilherme Cividini Neiva, Lucimara Stolz Roman, Marcela Mohallem Oliveira

11:30-11:45

A Possible Reaction Pathway to Fabricate a Half-metallic Wire on a Silicon Surface Shuo Wang Yang, Yun Hao Lu, Hongjun Zhu, Hongmei Jin, Chun Zhang, Jian Zhong Jiang, Yuan Ping Feng

11:45-12:00

Conducting behavior of a series of disordered pyrochlore Ln2ZrTiO7 (Ln = rare earth) C. Y. Hsieh, L. C. Wen, R. H. Lee, M. Y. Lin, Y. I. Tsai, H. C. I. Kao, H. S. Sheu, L. Y. Jang

Hall 12

Session Chairs: Mauro Marchetti, Deborah Aruguete

Hall 6


11:45-12:00

29


12:00-12:15

Creating and Exploring Barriers: Phononic Band Gap in One-dimensional Periodic Bragg Stacks in Hypersonic Region Dirk Schneider, Faroha Liaqat, El Houssaine El Boudouti, Youssef El Hassouani, Bahram Djafari Rouhani, Wolfgang Tremel, Hans Jürgen Butt, George Fytas


Session Chairs: Maurice Brogly, Mohamed M Rashad 10:15-11:00

Keynote 5: Field Assisted Self Assembly (FASA) of Flexible Films Using a Novel Continuous Roll to Roll Process Mükerrem Çakmak

The Effect of Acrylic Acid and Acrylamide Graft-copolymerization on the Properties of Sodium Alginate-based Superabsorbent Polymer Yamuna Munusamy, Tzyy Jeng Yong, Swee Yong Chee A Bioinspired Strategy to Fabricate Bragg Stacks as Hard and Adhesive Coatings Faroha Liaqat, Muhammad Nawaz Tahir, Michael Kappl, Hans Jürgen Butt, Wolfgang Tremel

11:45-12:00

Functionalization of Hybrid Particles by click Chemistry Marta Fernández-García, Marta Álvarez Paino, Gema Marcelo, Alexandra Muñoz Bonilla, Juan Rodríguez Hernández

12:00-12:15

Polymorphic Behavior in isotactic Poly(propylene-co-1-pentene-co-1-hexene) Terpolymers Alberto Garcia Peñas, Jose M Gomez Elvira, Ernesto Perez, Maria L Cerrada

Chemistry Education / CE-O-01

Session Chairs: Tony Wright, Ali Osman Sezer

30

Development Of An Achievement Test About “States Of Matter’’ Based On Bloom’s Taxonomy For 10th Grade Gifted Students Cigdem Nilufer Umar, Zerrin Ayvaz Reis

Session Chairs: Jan Apotheker, Mustafa Sözbilir

11:15-11:30

11:00-11:15

12:00-12:15


Preparation of Cetyltrimethylammoniumbentonite and Adsorption Kinetic Study on Benzene-Toluene-2-Chlorophenol mixture in Water Solution Is Fatimah, Thorikul Huda, Winda Novita, Yopi Andika

10:15-11:00

University student’ preconditions in Australia and Germany Ilka Parchmann, Mareike Klostermann, Siegbert Schmid

Hall 11

11:00-11:15

11:30-11:45

11:45-12:00

Hall 7

Keynote 1: To see is to believe or to believe is to see: A journey from conceptual conflict to conceptual change in science learning Mei-Hung CHIU Translation of modern chemical termsThe Chinese and Japanese approach in comparison Hao Chang

11:15-11:30

Chemistry practices in the Vhavenda indigenous society Liliana Mammino, Tendamudzimu Tshiwawa

11:30-11:45

The 35 Year Old Chemistry Graduateship Programme of the College of Chemical Sciences (IChemC) Receiving Accreditation from the RSC, UK in 2013 is A Stepping Stone for Accelerated Progress in A Knowledge Based Society Jerence Nansel Oleap Fernando

Hall 8

10:15-11:00

Keynote 2: Developments and trends in Turkish chemistry curriculum for lycees Alipaşa Ayas

11:00-11:15

The constructivist approach in the undergraduate laboratory: Using the kinetics of pH-independent hydrolysis of bis (2,4-dinitrophenyl) carbonate to teach chemistry Omar Abou El Seoud, Jamille M Moraes, Paula D Galgano

11:15-11:30

Creativity in problem solving at the tertiary level Liberato Cardellini

11:30-11:45

Facile ordering of orbital energy levels and prediction of ground-state electron configuration of the chemical elements Osman M E El Dusouqui

11:45-12:00

Location of the Lowest Priority Ligand (LPL) dictates the configuration assignment of any chiral/prochiral structure, and of the homochiral product of virtual stereospecific re/si-face reactions Osman M. E. El Dusouqui, Hicham H. Dib

12:00-12:15

Teaching chemistry with postage stamps: An introduction to chemical philately Daniel Rabinovich


Hall 5

Session Chairs: Harold Andrés Salamanca Ortiz, Christian David Sánchez Barinas 10:15-10.30

Use of Chemical Methods For The Desulfurization of Model Fuels Mohammad Nahid Siddiqui

10.30-10.45

Role of basic and non-basic nitrogen compounds on the ultra low sulfur diesel (ULSD) hydrodesulfurization Abdulwahab Barood

10.45-11.00

Thermal Cracking of Petroleum Residues: Kinetic Analysis and Product Evaluation Faisal S. Alhumaid

11:00-11:15

Xylenes Production Over Metal Loaded Mordenite-Based Catalysts Mohammad Ashraf Ali

12:15-13:15 LUNCH

Plenary Lecture

Hall 1

15:30-15:45

The effect of the pulse modulation on lines intensities emitted by the plasma pencil discharge Lukáš Novosád, Aleš Hrdlicka, Pavel Slavícek, Vítezslav Otruba, Viktor Kanicky

15:45-16:00

Simultaneous Assessment of Total Polar Compounds, Carbonyl value, Conjugated dienes and trienes In Frying Canola Oil Using Transmission FTIR Spectroscopy Coupled with Chemometric Approach Mohammad Younis Talpur, Syed Tufail Hussain Sherazi, Huseyin Kara

16:00-16:15

Derivatization / Chromophore Introduction of Tranexamic Acid and its HPLC Determination in Pharmaceutical Formulations Muhammad Ashfaq, Alvina Aslam, Muhammad Danish, Ghulam Mustafa, Muhammad Faizan Nazar

The Energy Landscape Concept and its Implications for Synthesis Planning Martin Jansen


Hall 9

Session Chairs: Claudio J. A. Mota, Özlen F. Erdem 14:15-14:30

A Kinetic Study On Non-Catalytic Esterification Of Sunflower Oil For Biodiesel Production, By DFT Calculations Hadi Behzadi, Ashkan Karimi

14:30-14:45

Altering Morphology in Organic and Organic/Inorganic Hybrid Devices Through Control Over Polymer Chemistry Christine Luscombe

14:45-15:00

15:00-15:15


Hall 1

A Novel Perovskite Catalyst for Reforming Biogas Displaying Negligible Carbon Deposition Samuel Ethan Evans, John Staniforth, Richard John Staniforth, Robert Mark Ormerod, Oliver James Good

Session Chairs: Tony K. M. Shing, Ronald Castellano 14:15-15:00

Invited Speaker: Microbial Arene Oxidation: Total Synthesis, Carbohydrate Chemistry and Organoiron Complexes Simon E. Lewis

Elastomeric Reflective Maintenance Coatings Increase The Longevity and Energy Savings of Bitumen Roofing Joseph Rokowski, Klairie Gounaridi, Brown Joseph, Beyhan Gözoğul

15:00-15:45

Keynote 6: Hydroperoxide and Hypervalent Iodine-mediated Oxygenation Reactions Hamdullah Kılıç

15:45-16:00

Carbazole Dendrimers as Solution-Processed High Tg Amorphous Hole-Transporting Materials for Organic Light-Emitting Diodes Vinich Promarak, P. Moonsin, N. Prachumrak, R. Rattanawan, T. Keawin, S. Jungsuttiwong, T. Sudyoadsuk

16:00-16:15

Halogenated Isoindanones: A synthetic platform toward fleeting intermediates, polycycles, and novel organometallic compounds Markus Etzkorn, Tiffany B. Meyers, Stephen A. Mcmillan, Stephan N. Lefcoski, Michael Gerken, James Goettel

15:15-15:30

AC Impedance Spectroscopy and Thermal Properties of Solid Polymer Electrolytes Based on Modified Natural Rubber Chin Han Chan, Hans Werner Kammer, Siti Nor Hafiza Mohd Yusoff, Lai Har Sim, Tan Winie

15:30-15:45

Preparation of Zirconium Carbonate as Solid Base Catalyst for Glucose Isomerization and Production of Value-added Compounds Son Anh Pham, Shun Nishimura, Kohki Ebitani

15:45-16:00

Oxidation of Methane Fuel on a Rhodium Catalyst Bed Onur Tuncer

16:00-16:15

Synthesis and Characterization of High Temperature Proton Exchange Membranes For PEMFC Application Lale Işıkel Şanlı, Selmiye Alkan Gürsel


Session Chairs: J. Michel Kauffmann, Jülide Hızal Yücesoy

Hall 15

14:15-15:00

Keynote 4: Flourescence Probes for Detection of Reactive Oxygen Species and Hydrogen Sulphide Dejian Huang

15:00-15:15

Spectrophotometric Analysis of KoolAid(TM) Abdul Wahab Manarvi, Emily Faulconer

15:15-15:30

Sequenced two-dimensional liquid chromatography – a method for characterization of complex polymer systems Alena Siskova, Dusan Berek


Session Chairs: EnisArık, Marcus Altmaier


13:15-14:15

Hall 2

14:15-15:00

Keynote 5: Cold Chemistry in Helium Droplets Wolfgang E. Ernst

15:00-15:15

Prediction of stability of coordination compounds from their 3rd order conectivity index Nenad Raos, Ante Milicevic

15:15-15:30

Encapsulation of magnetic nanoparticles and mRNA cap analogs in polypyrrole microvessels Krystyna Kijewska, Daria Paulina Kepinska, Maciej Mazur

15:30-15:45

Novel Nanostructured Materials and Application in Electrochemical Sensors and Biosensors Christopher Brett, Ricardo Carvalho, Madalina Barsan, M. Emilia Ghica, Krishna P. Prathish

31


15:45-16:00

16:00-16:15

Biosensors in Environmental Monitoring: Adaptation of Electrochemical Detection of DNA Using Ferrocene Containing Cationic Polythiophene to Carbon Fiber DNA Working Electrodes Erkan Doğru, Mesut Görür, Elif Erhan, Faruk Yılmaz, Osman Atilla Arıkan Redox Chemistry of Insulators: Voltammetry of Polystyrene Nanospheres Katherine B Holt, Thomas S Varley, Sandeep Sehmi, Martin Rosillo Lopez


15:30-15:45

Organic Photovoltaics as a Scalable, Sustainable Solar Generation Technology David S Ginley, Wade Braunecker, Zbyslaw Owczarczyk, Joseph Berry, John Perkins, Ross Larsen, Dana Olson

15:45-16:00

Effects of chemical properties of test media on nanoparticle solubility and toxicity to Daphnia magna Jaehwan Seo, Soyoun Kim, Dongwook Kwon, Tae Hyun Yoon, Jinho Jung

16:00-16:15

Environmental implications of nanomaterials used in consumer products Souhail R Al Abed, Jurate Virkutyte

Hall 13


Session Chairs: Der-Jang Liaw, Ali Serpengüzel

Session Chairs: Ziling Xue, Lars Öhrström

Invıted Speaker: Allotropes of Carbon via Polymer Precursors, Fluorination, and Hybrid Composites for Energy Harvesting Scott T. Iacono, Daniel Dei, Sriram Yagneswaran, Benjamin Lund, Wenjin Deng, Alyssa Lowe, Kung Jung, Muge Alik, Yves Chabal, John Ferraris, Kenneth Balkus, Dennis W. Smith, Jr.

14:15-15:00

Keynote 4: Complex Protein Chemistry in Foods Hampers Allergen risk Management Bruno De Meulenaer

15:00-15:15

15:00-15:15

Effects of Surface Modification and Particle Morphology on the Oxygen Permeability of HDPE/Nanoclay and HDPE/Nanoclay/ZnO Nanocomposites Parahat Atayev, Tugce Bekat, Muhammed Bora Akin, Mualla Oner

In silico design of novel and highly selective Cyclooxygenase-2 inhibitors Tuğba Mehmetoğlu, Serkan Altuntaş, Kemal Yelekçi

15:15-15:30

In silico design of selective monoamine oxidase B inhibitors using indane ring as a scaffold Serkan Altuntaş, Tuğba Mehmetoğlu, Kemal Yelekçi

15:15-15:30

pH/Temperature Responsive Semi-IPN Nanocomposite Hydrogels of Alginate with Poly(N-Isopropylacrylamide) Crosslinked by Nanoclay Meltem Kasapoglu, Murat Ozdemir

15:30-15:45

15:30-15:45

A simple strategy for improving mechanical characteristics of carbon nanotube-epoxy composite through functionalization of carbon nanotubes by epoxy chains Ehsan Moaseri, Behnaz Bazubandi, Majid Karimi, Majid Baniadam, Morteza Maghrebi

In situ to in silico and back evaluation of dendrimers as drug nanocarriers of anesthetics through molecular dynamics experiments Amalraj John, Veronica Carrasco Sanchez, Ariela Vergara Jaque, Matías Zuñiga, Jeffrey Comer, Fabiane M. Nachtigall, Oscar V. Lizama, Esteban Duran Lara, Claudia Sandoval, Leonardo S. Santos

15:45-16:00

Molecular Docking Studies and Anticancer Activity of Chalcone Derivative Compound MPHC-A on MCF-7 Doxorubicin Resistant Cell Retno Arianingrum, Retno Arianingrum, Adam Hermawan, Hari Purnomo, Edy Meiyanto

16:00-16:15

Adsorption of Proteins at Physiological Concentrations on Pegylated Surfaces and the Compatibilizing Role of Adsorbed Albumin with Respect to Other Proteins According to Optical Waveguide Lightmode Spectroscopy (OWLS) Laurent Leclercq, Enrico Modena, Michel Vert

14:15-15:00

15:45-16:00

Mesoporous and Hollow Micro/ nanostructures for Nanocatalysis Lu Shang, Lizhu Wu, Chenho Tung, Tierui Zhang


Hall 12

Session Chairs: Atanu Biswas, Serpil Savcı 14:15-15:00

Keynote: 5: Italian Green Factory: Plant Extracts for Future Chemistry in Sardinia Mauro Marchetti

15:00-15:15

Evaluation Of Waste Tires As An Adsorbent Material Of Contaminants Substances In Aqueous Media Oscar Mauricio Vargas Bayona, Carmen María Romero Isaza, Luis Hernando Blanco Castañeda, Andrés Felipe Suárez Escobar

15:15-15:30

32

Hall 6

Permeating Green Chemistry and Climate Change Education in the Context of Curricular, Extra-Curricular, and Community Outreach Activities Shakti K Airee


Session Chairs: Nesrin Hasırcı, Mohammed Khair Hourani

Hall 10

14:15-15:00

Invited Speaker 2: The Synthesis of Precision Polyolefins Containing a Variety of Pendant Acid Groups Ken Wagener, Taylor Gaines

15:00-15:15

Optimization of polyaniline nanocoating on the 0.4Li2MnO3∙0.6LiMn0.33Ni0.33Co0.33O2 cathode material and its electrochemical performance for Li-ion rechargeable batteries Docheon Ahn, Ha Hyoung Kim, Si Hyang Choi, Ha Na Won, Tae Joo Shin

Investigation of the structure and properties of spinel type LiMnTiO4 Siegbert Schmid, Denissa T Murphy

15:30-15:45

Embedded and Aligned Silver Nanowires for the Transparent Electrode of Organic Device Dong Ju Jang, Dai Geon Yoon, Gyeong Deok Mo, Byung Doo Chin, D. W. Kang

15:45-16:00

Single-Crystal Growth, Structure and Characterization of Geometrically Frustrated Magnets Robin T. Macaluso, Michael Shatruk, Ping Chai

16:00-16:15

Reversible and Ultra-Precise Actuation of Layered Clay Mineral Shinsuke Ishihara, Jonathan Hill, Katsuhiko Ariga, Nobuo Iyi


Session Chairs: Mükerrem Çakmak, Maria L Cerrada 14:15-14:30

Hall 11

DNA and N-Substituted Amides Copolymers: Complexes or Bonding? Anca Dibla, Ana Maria Albu, Ana Maria Albu, Alina Nicolescu, Alina Nicolescu, Victorita Tecuceanu

14:30-14:45

Synthesis of PDMS based block copolymers: Relevance to thermal and surface patterning properties Maurice Brogly, Camille Alzina, Sophie Bistac, Christelle Delaite

14:45-15:00

Concentrated polymer brushes: from fundamentals to novel applications Yoshinobu Tsujii, Keita Sakakibara, Kohji Ohno

15:00-15:15

Effects of Photoinitiators on the Photopolymerization of Vinyl-functional Silsesquioxane Thin Films Mat Tamizi Zainuddin, Samsul Azrolsani Abdul Aziz Nazri, Mohamad Zahid Abdul Malek, Uda Hashim

15:15-15:30

Hexagonal ferrites, synthesis, properties and applications Mohamed M Rashad

15:30-15:45

Quality assessment of secondary aluminium Derya Dispinar, Anne Kvithyld, Arne Nordmark

15:45-16:00

Redox Behavior in Carbon Monoxide Oxidation over Ferrite Spinels with Doped Palladium, Cerium and Lanthanum Aniz Chennampily Ummer, Radhakrishnan T. D Nair


Session Chairs: Ilka Parchman, Alipaşa Ayas

Hall 7

14:15-15:00

Keynote 3: Sailing the chemistry education boat on the Bosphorus between science and sustainability Peter G. Mahaffy

15:00-15:15

Service learning: Contributions to Wikipedia Judith Poe

15:15-15:30

A vision of nanowold to children Berta Inés Delgado Fajardo, Nancy Milena Valiente Triana, Magda Marcela Velásquez Rojas

15:30-15:45

Combining research with teaching: The Australian Chemistry Discipline Network Madeleine Schultz, Siegbert Schmid, Mark Buntine, Gwen Lawrie, Glennys O’brien, Daniel Southam, Brian Yates

15:45-16:00

Revaling tissue paper wastes by converting them into ethanol and using as disinfectant Cigdem Nilufer Umar, İlknur Öztürk, Berk Çivici

16:00-16:15

Teaching chemical management to the next generation of scientists Nancy B Jackson, William Morgan Alley, Richard Kottenstette


Session Chairs: Marcy Towns, F. Gülay Kırbaşlar

Hall 8

14:15-15:00

Keynote 4: Are chemical education and philosophy of chemistry miscible? The case for infusing epistemic practices of chemistry in chemical education Sibel Erduran

15:00-15:15

Cognitive load in problem solving stochiometry Saša Horvat, Mirjana Segedinac, Dušica Milenkovic

15:15-15:30

Active learning approaches to Global Chemical Safety and Security (CSS) training and sustainability Christine M. Straut, Richard Kottenstette, William Morgan Alley, Nancy B. Jackson

15:30-15:45

Rote learning coupled with lack of conceptual learning by students strongly evidenced by their inability to write fundamental equations and deduce expressions for simple physical quantities using unconventional symbols Jerence Nansel Oleap Fernando

15:45-16:00

Are teachers an impediment to students´ understanding of chemical bonding Anders Nimmermark

16:00-16:15

Coherence of student conceptual understanding in chemistry Tony Wright, Susan Hamilton, Gwen Lawrie

16:15-16:30

Coffee Break


15:15-15:30


Hall 9

Session Chairs: Christian Chukwudi Enebe, Caner Zanbak 16:30-16:45

Investigation of Binary Pt-Pd And Ternary Pt-Pd-Ru Nanoelectrocatalysts For Direct Methanol Fuel Cells Tugba Arikan, Arunachalanadar Madakannan, Figen Kadırgan

16:45-17:00

Evaluation of Monoglycerides Production from Palm Oil Biodiesel Andres Felipe Suarez, Carlos Alberto Grateron

17:00-17:15

Study on morphological, thermal, and mechanical properties of PEO/PMMA/ LiClO4/Coal ash blend composites Sabiha Sultana, Muhammad Saleem Khan, Richard Baker 33


17:15-17:30

The Role of Specific Elements in AB2 Alloys for Hydrogen Storage and Hydride Electrode. Abbasali Rostami

17:00-17:15

Investigation Of The Deamidation Reaction In Triosephosphate Isomerase By Means Of Long Range Molecular Dynamics Simulations Ilke Ugur, Viktorya Aviyente, Gerald Monard

17:30-17:45

Kluwak (Pangium edule) Shell Briquette As An Environmentally-Oriented Alternative Energy to Overcome the Energy Shortage Lathifa Hapsari

17:15-17:30

Quantitative SERS Investigations of Heteroaromats in a Lab-on-a-Chip Device Anna Hauser, Dana Cialla, Thomas Henkel, Karina Weber, Jürgen Popp

17:45-18.00

Controlling the Microstructure and Properties of Titania Nanopowders for High Efficiency Dye Sensitized Solar Cells Mohamed M Rashad, Ahmed E. Shalan

17:30-17:45

18:00-18.15

Comparison Between The “One Step” and “Two-Step” Catalytic Pyrolysis of Pine Bark Ahmet Güngör, Sermin Önenç, Jale Yanık, Suat Uçar

Deuterium Labelling: Synthesis and Applications of Deuterated Molecules for the Characterization of Multi-Component Nanoscale systems Tamim Darwish, Nageshwar Yepuri, Greta Moraes, Michael James, Peter Holden

17:45-18:00

Effect of ascorbic acid, Glutathione, Inosine and N-acetylcysteine on Phloroglucinol based Chemical Oscillator Ghulam M Peerzada, Usma Gull, Nadeem Bashir, Ishfaq Ahmad Shah, Nisar Ahmad Dar


Session Chairs: Marcus Etzkorn, Vinich Pomarak 16:30-16:45

16:45-17:00

The hook-concept and its application for functional groups and groups “name-tostructure” disambiguation Alain Krief, Punnaivanam Sankar New Aryl Substituted Oxatropenes: Synthesis and Biological Profiles Lokman Torun

17:00-17:15

Synthesis of Some New Azo – Thiazolidinone Compounds Derived From 3- Chloro-4Methyl-Aniline Awaz Jamil Hussein, Hashim Jalal Azeez

17:15-17:30

Removal Of Azo Dyes Through Photoelectroadsorption Using PolyanilineModified Electrode Azam Pirkarami, Mohammad Ebrahim Olya

17:30-17:45

Graft Copolymerization onto Chicken Feather Keratin Ilhan Canpolat, Oya Atici

17:45-18.00

Synthesis and Chiral Separation of New Trisubstituted 4-Aminopiperidines With Dual Activity Anti-PAF And Anti-HIV Houcine Benmehdi, Aazdine Lamouri, Boufeldja Tabti

18:00-18.15

New Tetrahedral, Square-Pyramidal, Trigonal-Bipyramidal And Octahedral Organotin (IV) 4-Ethoxycarbonylpiperazine1-Carbodithioates: Synthesis, Structural Properties And Biological Applications Aziz Ur Rehman, Mukhtiar Hussain, Zia Ur Rehman, Abdul Rauf, Faiz Ul Hassan Nasim, Asif Ali Tahir, Saqib Ali


Session Chairs: Hüseyin Karadeniz, Masashi Mizukami

34

Hall 1

Macro and Nano Science and Technology / MNST-O-06 Session Chairs: 16:30-17:15

Keynote 5 : High Throughput Screening the Full Spectrum of Subtractive Colors for Electrochromic Textile and Eyewear Gregory Sotzing

17:15-17:30

Enhancement of mechanical properties of amine-functionalized MWCNT/Epoxy composite: Effect of amine moieties Ehsan Moaseri, Majid Karimi, Behnaz Bazubandi, Majid Baniadam, Morteza Maghrebi

17:30-17:45

Design and development of electrochemical immunosensors for the detection of disease biomarkers Sibulelo Vilakazi, Nolwazi Nombona, Philani Mashazi, Munkombwe Muchindu, Jessie Pillay

17:45-18:00

Molecular simulation of the aggregation process of polysaccharide in aqueous solution Pushparajah Thavarajah, Nilushni Sivapragasam, Paul Fenlason, Tsvetan Aleksandrov


Tribochemistry, Triboelectricity and Friction Fernando Galembeck, Thiago A. L. Burgo

16:45-17:00

Molten Salts Revisited: Volumetric Properties and Cohesive Energies Yizhak Marcus

Hall 12

Session Chairs: Jinho Jung, Bas Verkuijl 16:30-16:45

Synthesis of Enantiomerically Pure Aryloxyphenoxypropioanate Herbicides: using Bio-Based Building Blocks as Starting Material for Agrochemicals Bas Verkuijl

16:45-17:00

Degradation of Organophosphates Mark K Kinnan, Rita Betty, Mark Tucker, Christine M Straut, William R Creasy, Heidi Schreuder Gibson, May D Nyman

17:00-17:15

Deracemization Based on a Couple of Enzymes: Preparation of α-Amino Acids in High yields and High ee Wan Yao, Jin Yang, Hongying Guo, Zizhang Zhang

17:15-17:30

Hydrothermal Synthesis of Solid Oxide Fuel Cell Anode Materials Oliver James Good, Richard John Darton, Robert Mark Ormerod, John Staniforth, Sam Ethan Evans

Hall 2

16:30-16:45

Hall 13

Communication of Continuous Emission Measurement Systems (CEMs) and its Applications Özcan Ceylan, Özgen Ercan, Faruk Dinçer

17:45-18:00

Carbon Footprint and Nanotechnology: A preliminar Review Berta Ines Delgado Fajardo, Edwin Alexander Robayo Chaparro


Session Chairs: Kazuyuki Tatsumi, Amalraj John

Biophysical studies and High resolution crystal structures of dengue envelope protein domain III Yutaka Kuroda, Montasir Elahi, Monirul M Islam, Keiichi Noguchi, Manjiri R Kulkarni, Masafumi Yohda

16:45-17:00

Cutting a tree; that makes a difference! (Thermodynamic analysis of life termination process) Marko Popovic Annonaceae and Leaf cutting Ants Control Joao Batista Fernandes, Leila Gimenes, Keylla U. Bicalho, Vanessa C. Domingues, M. Fatima G. F. Da Silva, Paulo C. Vieira, Odair C. Bueno, Leandro P. Ribeiro, Jose D. Vendramim

17:15-17:30

Optimization of fermentation media for Hyperproduction of parent and mutant derived uricase Rao Irfan, Abdullah Dayo, Munazzah Meraj, Muhammad Asad Meraj, Sadia Javed, Muhammad Ali Ghoto

17:30-17:45

Study of piceatannol/ β-cyclodextrin complex in liquid phase by RP HPLC Habiba Amira Guebailia, Hanane Messiad, Omar Houache

17:45-18:00

High Ionic Strength or Presence of Inositol Hexakisphosphate Reverses the Unusually Low pKa of CysH3(125)β of Guinea Pig Haemoglobin Jonathan Oyebamiji Babalola


Session Chairs: Yoshiki Chujo, Seyla Azoz 16:30-16:45

16:45-17:00

17:00-17:15

Microstructure evaluation of slate pieces submitted to heat treatment at different temperatures Claudio Gouvêa dos Santos, Luciana Boaventura Palhares, Victor Alvarenga Oliveira, Herman S. Mansur

17:30-17:45

Composites of carbon nanotubes and poly(styrene-b-isoprene-b-styrene), and their application as photoactuators Marketa Ilcikova, Jaroslav Mosnacek, Klaudia Czanikova, Igor Krupa, Dusan Chorvat, Miroslav Mrlik, Tomas Sedlacek

17:45-18:00

Sol-gel Immobilization of Metal Complexes and Metal Nanoparticles in Mesoporous Materials Noemi Linares, Elena Serrano, Jesus R Berenguer, Javier Garcia-Martinez

Hall 6

16:30-16:45

17:00-17:15

17:15-17:30

Chemistry Education / CE-O-05 / (Workshop)

Workshop Organizers: Alastair Hay, Peter G. Mahaffy 16:30-18:00

Innovative Architecting of Metallic Surfaces by Simple Electrochemical Potential Perturbations Mohammed Khair Hourani Bio-inspired Fe3S4 nano-catalysts for CO2 conversion Nathan Hollingsworth, Richard Catlow, Jawwad A Darr, Josie Goodall, Saima Haider, Graeme Hogarth, Katherine Holt, Husn Ubayda Islam, Nora de Leeuw, Anna Roffey, Alberto Roldan, Gopinathan Sankar

Choices for chemists: How do we make them? A Hands-On Workshop


Session Chairs: Liberato Cardellini, Mehmet Mahramanlioglu

Hall 8

16:30-16:45

Evaluating the general chemistry curriculum over time via ACS Exams and the anchoring concept content map Thomas Holme, Jeffrey Raker, Kimberly Linenberger, Kristen Murphy

16:45-17:00

Designing a research based integrated undergraduate laboratory program by implementing ACS guidelines Ali Osman Sezer

17:00-17:15

An investigation of chemistry teachers’ perceptions and implementation of constructivist principles in 9th grade chemistry curriculum in Turkey Mehmet Diyaddin Yaşar, Mustafa Sözbilir

17:15-17:30

Best practices in the use of learning outcomes in chemistry education Maja Elmgren, Eva Åkesson, Felix Ho, Siegbert Schmid, Ilka Parchmann, Jan H. Apotheker, Pascal Mimero, Hilmi Namli, Christiane S. Reiners, Marcy Towns

17:30-17:45

Chemistry curricula: Shifting from basic chemistry to chemical engineering ? Djafer Benachour

17:45-18:00

The impact of the Comprehensive Studies Program (CSP) on students’ attitude and performance in general chemistry Jadwiga T Sipowska, Dwight Fontenot

Hall 10

Prediction of radial junction characteristics in ultrathin silicon nanowires from firstprinciples calculations Man Fai Ng, Shi Wun Tong

Hall 7


17:30-17:45

18:00-19:00 / POSTER SESSIONS - 2

35

4th Day / 14.08.2013 / Wednesday

09:00-10:00

Plenary Lecture

12:15-12:45

Molecular Quantum Dynamics and Molecular Spectra: Time Scales and Symmetries Martin Quack 10:00-10:15

Coffee Break


Session Chairs: Guo-Xin JIN, Ergun Gonca 10:15-11:00

Hall 1

Keynote 7: 100 Years Of Metal Coordination Chemistry:From Alfred Werner To Diagnosis And Therapy Peter Sadler

11:00-11:45

Keynote 8: Recent Progress in Concerto Molecular Catalysis with Bifunctional Catalysts Takao Ikariya

11:45-12:00

Synthetic Application of Germaniummodified Nucleosides Stanislaw F Wnuk, Yong Liang, Jean Philippe Pitteloud Design of Mg- and Cs-containing volatile compounds Evgeniia Sergeevna Vikulova, Ksenia Vasil’evna Zherikova, Natalia Vladimirovna Kuratieva, Dmitry Aleksandrovich Piryazev, Ilya Viktorovich Korolkov, Natalia Borisovna Morozova, Igor Konstantinovich Igumenov


Session Chairs: Şefik Süzer, Magdalena Bendova

Hall 2

10:15-11:00

Keynote 6: Layer-by-Layer Assembled Multifunctional Nanoscale Coatings Gero Decher

11:00-11:15

Technetium Redox Chemistry and Solubility: Applied Chemistry Relevant for Nuclear Waste Disposal Ezgi Yalcintas, Xavier Gaona, Marcus Altmaier, Andreas C. Scheinost, Taishi Kobayashi, Horst Geckeis

11:15-11:30

Wave functions of nanoscopic systems and their excitonic properties by the Coulombexchange term Luis Alberto Montero Cabrera, Ana Lilian Montero Alejo, José Manuel García De La Vega, Eduardo Ariel Menéndez Proupin


10:15-12:15 / PARALLEL SESSIONS-7

12:00-12:15

36

Hall 1

Mixed micelles of bile salts and Tween 80 Mihalj Poša, Zita Farkaš, Ana Sebenji, Vesna Tepavcevic, Dejan Cirin

11:30-11:45

Synthesis and DOSY-NMR investigation of micellization of 12-oxo-litocholic acid Dušan Škoric;, Bojana Vasiljevic, Mihaly Posa, Gyula Batta, Janos Csanadi

11:45-12:00

Structuring of Interfacial Water on Silica Surface in Cyclohexane Studied by Surface Forces Measurement and Sum Frequency Generation Vibrational Spectroscopy Masashi Mizukami, Atsushi Kobayashi, Kazue Kurihara

12:00-12:15

On the Mass-Independent Isotope Fractionation in Ozone Peter Reinhardt, François Robert

Hall 13

Session Chairs: Raşit Turan, John R. Reynolds 10:15-11:00

Keynote 5: New Approaches for the Preparation of Polymer Nanocomposites Yusuf Yağcı

11:00-11:45

Keynote 6: Realization of Click Chemistry on Poly(2,5-Dithienylpyrrole)s Pınar Çamurlu

11:45-12:00

Novel Functional Brush Polymers: Synthesis, Structure and Electrical Memory Characteristics Moonhor Ree, Wonsang Kwon, Byungcheol Ahn, Yongjin Kim, Kyungtae Kim, Yong Gi Ko

12:00-12:15

Point of Zero Charge of Different Diameter Single-Walled Carbon Nanotubes Stacy Anne Kanaan, Fang Ren, Zhiteng Zhang, Gary Haller, Lisa Pfefferle

12:15-12:30

Polymer Brushes and Films: Patternable Nanoscale Interfaces Christopher Kemper Ober


Hall 12

Session Chairs: Atmanto Heru Wibowo, Supawan Tantayanon 10:15-11:00

Keynote 5: Sustainable Chemistry With Water Soluble Phosphines: The Enlightening Story of PTA as an Environmental Friendly Ligand Maurizio Peruzzini, Luca Gonsalvi, Antonella Guerriero, Frederic Hapiot, Donald Krogstad, Eric Monflier

11:00-11:15

A Novel Perovskite Catalyst with High Methane Steam Reforming Activity for Fuel Cell Applications John Staniforth, Samuel Ethan Evans, Oliver James Good, Richard John Darton, Robert Mark Ormerod

11:15-11:30

A Novel Perovskite Catalyst for Reforming Biogas Displaying Resistance to Sulphur Contamination Samuel Ethan Evans, John Staniforth, Richard John Darton, Robert Mark Ormerod, Oliver James Good

11:30-11:45

New class of Brominated Polymeric Flame Retardants for Use in Polystyrene Foams Inken Beulich, Mark W. Beach, Daniel A. Beaudoin, John W. Davis, John W. Hull, Bruce A, King, Shari L. Kram, Christine Lukas, Michal E. Matteucci, Ted A. Morgan, Bill G. Stobby

11:45-12:00

Absorption of CO2 form gas Mixture Employing gas-Liquid Membrane Contactors via Potassium Glycinate Solvent Nayef Ghasem, Mohamed Al Marzouqi, Nihmiya Abdul Rahim

Dynamic Measurements of Nitrogen Dioxide at Low Ambient Levels Tanıl Tarhan, Gerard Nieuwenkamp, Stefan Persijn


Session Chairs: İdris Yazgan, Hala Ihlal Al Jaber

Hall 6

10:15-11:00

Keynote 5: Probing Magnetic Properties of Metalloporphyrins by Neutron Scattering Seth C. Hunter, Andrey A. Podlesnyak, Zi-Ling Xue

11:00-11:15

12:00-12:15

Integrin Targeting and Protease Responsive poly (ethylene glycol) (PEG) Hydrogel Coated Magnetic Iron Oxide Nanoparticles for Specific Targeting of Cancer Cells Caner Nazli, Havva Yagci Acar, Seda Kizilel


Session Chairs: Is Fatimah, Aldo Jose Gorgatti Zarbin

Hall 11

10:15-10:30

Potent and Selective Fluoroketone Inhibitors of Phospholipases A2 for the Treatment of Autoimmune Diseases George Kokotos

Nanofabrication of Epoxy Amine Composites Via Lbl Multilayer Assemblies Rohama Gill, Tahira Bibi, Shahid Saeed Qureshi, Humaira Masood Siddiqi

10:30-10:45

11:15-11:30

Silver(I) Complexes as Antimicrobials for Wound Healing – Scope and Limitations Lars Öhrström, Yousry M. Gohar, Morsy A. M. Abu Youssef

Engineering & Applications of Nanosized Crosslinked Protein Aggregates (Nano-CLPA) Anastasia Zakharyuta, Tuğçe Akkaş, Alpay Taralp

10:45-11:00

11:30-11:45

α, β, And Ω (Theoretical analysis of the aging process) Marko Popovic, Ivan Juranic

Gold nanoparticles supported in modified caulinite clay in situ one pot synthesis Cléo Thomás Gabriel Vilela Menegaz Teixeira Pires, Ana Lúcia Dos Santos, Natália Fattori, Claudio Airoldi

11:00-11:15

11:45-12:00

The reactivity of CysF9[93]β sulphydryl group of des-HisHC3[146]β human haemoglobin A Jonathan Oyebamiji Babalola, Najeem Adesola Babarinde, Abideen Idowu Adeogun

Impedance, Stutrctural And Thermal Properties Of Blend Composites Of PMMA/ PEO/PVAc With Copper Nanoparticles Uzma Khalil, Mohammad Saleem Khan

11:15-11:30

Synthesis and Characterizations of Polyacrylamide/CaCO3 and Polyacrylamide/ CaSO4 nanocomposites Gautam Lalbihari Jaiswar

11:30-11:45

Green Synthesis of Anisotropic CdSe Nanoparticles Via a Non -Phosphine Based Method Oluwatobi Samuel Oluwafemi, Vuyelwa Ncapayi, Sandile Phinda Songca


Session Chairs: Ken Wagener, Yusuf Menceloğlu

Hall 10

10:15-11:00

Invited Speaker 3: Micro and Nano Intelligent Systems for Drug Delivery Nesrin Hasırcı

11:45-12:00

11:00-11:15

Synthesis of Dendritic Macromolecules and Their Metal Complexation Studies Metin Tülü, A. Serol Ertürk, A. Emin Bozdoğan

Hydrogen in metal cluster-cage assemblies: molecular vs atomic encapsulation options Fedor Y. Naumkin, David J. Wales

12:00-12:15

11:15-11:30

Steered 2D Self-Assembly of 3D Janus Tectons Equipped with Photoswitchable Chromophores David Kreher, Antoine Colas, Fabrice Mathevet, André Jean

Study of Thermal Stability Effect of Poly (Butylene Itaconate) modified with Divinyl Benzene (DVB) Atmanto Heru Wibowo, Ninis Makhnunah, Henning Storz, Klaus Dieter Vorlop

11:30-11:45

Smart Polymeric Nano-in-Microparticles as Potential Carriers For Sustained Pulmonary Drug Delivery Ibrahim M El Sherbiny, Hugh Dc Smyth

11:45-12:00

A Tumor Targeting and pH Sensitive Binary-drug Delivery System Based on Poly(Caprolactone)-Heparin Conjugates Lin Ye, Yaoying Ding, Aiying Zhang, Zengguo Feng

4th Day / 14.08.2013 / Wednesday

12:00-12:15

12:15-13:15 LUNCH 13:15-22:00

Social Program (City Tour + Bosphorus Dinner by Boat)

37

5th Day / 15.08.2013 / Thursday

09:00-10:00

Plenary Lecture The Molecular Chemistry of Renewable Energy

10:00-10:15

Coffee Break

10:15-12:15 / PARALLEL SESSIONS-8 Chemical Synthesis / CS-O-08

Session Chairs: Peder Sadler, Stanislaw F. Wnuk


Hall 13

Session Chairs: Yusuf Yağcı, Christopher Kemper Ober

Daniel G. Nocera

10:15-11:00

Keynote 7: The Path to Vibrantly Colored, Processable Electrochromic Polymers John R. Reynolds

11:00-11:45

Keynote 8: Semiconductor Nanostructures for Light management in Photovoltaic Energy Harvesting Raşit Turan

11:45-12:00

Porphyrin Dyads with Thiophene-Containing Bridging Units for Solution-Processable Organic Solar Cells Graham S. Collier, Angy L. Ortiz, Nik Hall, Reynolds J. Ivins, Nicholas Grubich, Jennifer Kassel, Michael G. Walter

12:00-12:15

Charge Transport and Polymeric Semiconductors: The Role of Molecular Ordering Boyi Fu, Nabil Kleinhenz, Karthik Nayani, Mincheol Chang, Jung Ok Park, Mohan Srinivasarao, Elsa Reichmanis

Hall 1

10:15-11:00

Keynote 9: Organometallic Macrocycles and Cages: From Molecules to Materials and Their Application Guo-Xin Jin

11:00-11:15

Octakis(4-biphenyl)-2-seco-2,3dioxoporphyrazinato iron derivatives Ergün Gonca

11:15-11:30

New Polyoxotungstate Complexes of Noble Metals: Synthesis, Structure and Reactivity Vladimir Fedin, Maxim Sokolov, Sergey Adonin

11:30-11:45

Microwave-Assisted Synthesis, Characterization and Biological Activities of Organotin(IV) Complexes of Nitrogen– Sulphur Donor Ligands Ran Vir Singh, Pratibha Chaudhary


Hall 12

Session Chairs: Zizhang Zhang, Oliver James Good

Hall 2

10:15-11:00

10:15-11:00

Keynote 7: Controlling diffusion and reaction activity of enzymes in confined DNA nanostructures Loredana Casalis

A Greener Synthetic Process for the Preparation of Beta-Nitroacrylates Roberto Ballini, Serena Gabrielli, Alessandro Palmieri

11:00-11:15

11:00-11:15

XPS for Chemical- and Charge-Sensitive Analyses Şefik Süzer

Biosorption of cyanide ion on natural adsorbent “Luffa Cylindrical” Luisa Fernanda Navarrete Rodriguez, Obradith Caicedo Orjuela, Andrés Felipe Suárez Escobar

11:15-11:30

11:15-11:30

Actinide chemistry and thermodynamics – a key contribution to nuclear waste disposal safety Marcus Altmaier, Horst Geckeis

Dissolution and Reactions of Biopolymers in Ionic L1quids Atanu Biswas

11:30-11:45

11:30-11:45

Metastable Hydrogenation: Mechanochemistry of Mg3N2 Uri Ash Kurlander, Gennady E. Shter, Shifi Kababya, Asher Schmidt, Gideon S. Grader

An investigation for the potential of Trapa bispinosa’s peel in free, pva-alginate immobilized and H2O2 treated form to eradicate Reactive Orange 122 dye Muzna Saeed, Raziya Nadeem, Maryam Yousaf, Rashid Saeed

11:45-12:00

Hydrochemical assessment of groundwater quality of Agra city, India Ashish Kumar


Session Chairs: Kazue Kurihara, Jani Moilanen

38

Hall 1

11:45-12:00

Influence of Polyols on the Stability of Chymotripsinogen Carmen M Romero, Juan S Abella

12:00-12:15

Structure and Thermal Properties of Ammonium-based Bis (trifluoromethylsulfonyl) Imide Ionic Liquids Karolina Machanová, Aurélien Boisset, Mérièm Anouti, Johan Jacquemin, Magdalena Bendová


Session Chairs: Mary Garson, Muhammad Zahoor

Hall 6

10:15-11:00

Keynote 6: Recent Investigation of Bioactive Natural Products from Thai Bioresoures Chulabhorn Mahidol

11:00-11:15

Lectin-Carbohydrate Interaction as a Platform for Microbial Biosensors and AntiCancer Activity Idris Yazgan, Omowunmi A Sadik

11:30-11:45

11:45-12:00

12:00-12:15

Lentils (Lens culinaris L): a whole food for micronutrient malnutrition and Arsenicosis Dil Thavarajah, Pushparajah Thavarajah, Casey R Johnson, Debjoti Sen Gupta, Darshika Amarakoon, Shiv Kumar Exploring Jordanian Flora: Isolation and characterization of the chemical constituents of some Salvia species growing wild in Jordan Hala Ihlal Al Jaber, Mahmoud Abed Al Qudah, Mohammad Rafeeq Hasan, Khadej K. Abrouni, Musa Hassan Abu Zarga Serum Biomarker Technical Detection for Alcoholism Diagnosis by HPLC Berta Ines Delgado Fajardo, Liz Mireya Castro Ayala, Diana Milena Moreno Rodrigez, Gabriela Silva Gama Salvia sclareoides as a source of functional food ingredients against neurodegenerative diseases Catarina Dias, Tiago Jorge, Paulo Madeira, Filipa Marcelo, Jesus Jimenez Barbero, Cristina Airoldi, Francesco Nicotra, Peter Davis, Rosemary Staniforth, Amelia Pilar Rauter


Session Chairs: Peter G. Mahaffy, Musa Sahin 10:15-11:00

11:00-11:15

MINIQUIME: An innovative way of learning and teaching the application of statistical methods in chemistry (From traditional classroom to an international conference format) Josué Cortés Zárate, Addy María Gómez, Alberto López Juárez

11:15-11:30

JCAMP-MOL: A JCAMP-DX extension to allow interactive model/spectrum exploration using Jmol and JSpecView Robert M Hanson, Robert John Lancashire

11:30-11:45

Didactic strategy for research, for learning in virtual environments: Metabolic biochemistry Jairo Enrique Granados

11:45-12:00

Learning chemistry, problem-based experience in virtual environments Dolffi Rodriguez

12:00-12:15

Impact of laboratory-based and computerassisted teaching methods on students’ scientific process skills Musa Şahin, Selahatdin Ay, Hakan Sarıçayır, Ajda Kahveci

Session Chairs: Christiane Reiners, Ali Yildirim 10:15-11:00

A multi-method investigation of university students’ knowledge regarding chemical representations Vahide Taskin, Sascha Bernholt, Ilka Parchmann

11:15-11:30

Green chemistry in organic chemistry lectures and laboratories Mo Hunsen

11:30-11:45

Sensibilizing subjects: Green chemistry in Brazilian higher education Vania Gomes Zuin, Dorai Periotto Zandonai, Karla Carolina Saqueto, Sandra Cristina Abreu, Ana Paula Lopes

11:45-12:00

Green chemistry decision-making in undergraduate laboratories Landon J G Edgar, Andrew P Dicks

12:00-12:15

Green chemistry in teacher training: A case study in Brazil Vania Gomes Zuin, Dorai Periotto Zandonai, Karla Carolina Saqueto, Ana Paula Lopes

12:15-13:15 LUNCH 13:15-14:15

Hall 8

Keynote 6: How to transfer authentic science to education and the public? Ilka Parchmann, Stefan Schwarzer, Lorenz Kampschulte, Frederike Tirre

Plenary Lecture

Hall 1

The Wanderings of a Free Radical – Assessing Antioxidants and Their Impact on Health and Disease

Hall 7

Keynote 5: Student understanding of concepts related to the first and second law of thermodynamics Marcy H. Towns


11:00-11:15


11:15-11:30

Barry Halliwell

14:15-16:15 / PARALLEL SESSIONS-9 Chemical Synthesis / CS-O-09

Session Chairs: Fumiyuki Ozawa, Ayşe Gül Gürek

Hall 1

14:15-15:00

Keynote 10: Biomimetic Metal-Oxygen Intermediates in Dioxygen Activation Chemistry Wonwoo Nam

15:00-15:45

Keynote 11: Bridging the Gap between Homo & Heterogeneous Asymmetric Catalysis with Organometallics Kuiling Ding

15:45-16:00

Sulphide Molybdenum clusters functionalized by non-innocent polypyridine ligands David Recatalá, Artem Gushchin, Rosa Llusar

16:00-16:15

New Approaches to the Preparation of Synthetic Analogues of Methanobactin Daniel Rabinovich


Session Chairs: Laszlo Turi, İlke Uğur

Hall 2

14:15-14:30

Metal-organic molecular interfaces: Options for induced structure manipulation Fedor Naumkin

14:30-14:45

Spectroscopic studies on liposomes containing Chlorophyll a and Chlorophyllide a Laura Tugulea, Marcela Elisabeta Barbinta Patrascu, Gabriel Baranga, Sanja M. Milenkovic, Dejan Z. Markovic

14:45-15:00

Resonance Shear Measurement for Studying Confined Liquids Kazue Kurihara 39


15:00-15:15

15:15-15:30

The Influence of Temperature on SurfaceEnhanced Vibrational Spectra: How Significantly Are Affected Spectral Data Obtained? Pavel Matejka, Alzbeta Kokaislova, Marcela Dendisova, Milan Oncak, Marie Svecova, Martin Clupek SERS and in-situ SERS spectroscopy of vitamins and antioxidants adsorbed on Ag, Au and Cu substrates. Elucidation of variability of sorption behaviour on applied potential Pavel Matejka, Marcela Dendisova, Alzbeta Kokaislova, Milan Oncak, Martin Clupek

15:30-15:45

Minor Actinides (Np, Am, Cm): Disposal Versus Transmutation Sergey Vladimirovich Yudintsev

15:45-16:00

Cuprophilic Interactions in Ring Systems Containing Chalcogen Atoms Jani Moilanen, Risto Laitinen, Heikki M. Tuononen

16:00-16:15

Remote controlled dynamic systems driven by bipolar electrochemistry Laurent Bouffier, Gabriel Loget, Zahra Fattah, Catherine Adam, Milica Sentic, Jérome Roche, Dodzi Zigah, Neso Sojic, Alexander Kuhn


15:00-15:15

15:15-15:30

Degradation of Monocrotophos in Aqueous Solution by Gamma Irradiation Muhammad Ismail, Hassan Mahmood Khan, William J. Cooper

14:45-15:00

Prepatation of Polypyrrole/Alumina Nano Composite and Its Effect For Removal of Reactive Orange 16 From Textile Waste Water Adnan Habibi, Ali Reza Pourshishehgar, Aboulghasem Teimori, Habib Allah Tayebi

15:00-15:15

Bio-polymers grafted – Functionalized Bipyrazolic Tripods Based Geotextiles: New Materials For The Selective Capture of the Heavy Metals From Wastewater Isaad Jalal, El Achari Ahmida

15:15-15:30

Recent Developments In the Selective and Sensitive Colorimetric and Fluorescent Chemosensors for the Toxic Ions Detection in Biological Systems Isaad Jalal, El Achari Ahmida

15:30-15:45

Degradation of metamizole in synthetic wastewater by UV and UV/H2O2 processes Aleksandar Lj Bojic, Jelena Z Mitrovic, Miljana D Radovic, Danijela V Bojic, Nena D Velinov, Slobodan M Najdanovic

15:45-16:00

Characteristics of Fine Particulate Matter (PM2.5) in Urban Areas of Pakistan: An Observational Based Analysis Anjum Rasheed, Viney P. Aneja, Anantha Aiyyer, Uzaira Rafique

Hall 13

Session Chairs: Moonhor Ree, Elsa Reichmanis 14:15-15:00

14:30-14:45


Keynote 9: Understanding Catalytic Materials at the Molecular Level: From Thermal Chemistry to Photochemistry Emrah Ozensoy

Session Chairs: Chulabhorn Mahidol, İdris Yazgan 14:15-15:00

The Role of Surface Speciation on the Reversible Lithium Capacity of ThermallyReduced Graphene Oxide Bradley D Fahlman, Chananate Uthaisar, Veronica Barone

Keynote 7: Chemoecological Studies on Bioactive Natural Products from Predatory Molluscs and their Dietary Sponges Mary Garson

15:00-15:15

Hybrid Heterocycle-Containing ElectronTransport Materials for Highly Efficient Phosphorescent OLEDs with Unprecedented Low Operating Voltage Ming Liu, Shijian Su, Min Cherl Jung, Yabing Qi

Halting the cancer hijackers: Synthesis and evaluation of novel coordination complexes as CXCR4 antagonists Kate L Nicholson, Steve J Archibald, John Greenman

15:15-15:30

Detoxification of aflatoxin in poultry feed by carbon nanostructure prepared from biomass Muhammad Zahoor

15:30-15:45

Quantification of hesperidin and rutin in Citrus sinensis grafted on C. limonia after Xylella fastidiosa infection and the influence of rootstock Maria Fatima Das Graças Fernandes Da Silva, Marcio Santos Soares, Moacir Rossi Forim, João Batista Fernandes, Paulo Cezar Vieira, Sergio Alves De Carvalho, Alessandra Alves De Sousa, Marcos Antonio Machado

15:45-16:00

Phytochemical investigation of the bark of tetrapterys mucronata: a plant use in the ayahuasca preparation Marcos Marçal Ferreira Queiroz, Emerson Ferreira Queiroz, Guillaume Marti, Laurence Marcourt, Ian Castro Gamboa, Vanderlan Da Silva Bolzani, Jean Luc Wolfernder

16:00-16:15

Distinguishing Stevia rebaudiana based on Polyphenolic Profile by Statistical Analysis Hande Karakose, Nikolai Kuhnert

15:30-15:45

RGB light-emitting polyfluorenes containing dibenzothiophene-s,s-dioxide unit and whiteemitting devices Wei Yang

15:45-16:00

Chemically Modified Graphitic Carbon Synthesis & Assembly for Optoelectronics and Energy Applications Sang Ouk Kim


Hall 12

Session Chairs: Oscar Bayona, Shakti Airee 14:15-14:30

40

Hall 6

Photocatalytic Removal of Mtbe From Wastewater Using Modified ZnO Based Catalysts Zaki S. Seddigi, Shakeel Ahmed, Shahid P. Ansari, Saleh A. Ahmed

Education in Chemistry: Innovative Teaching and Learning (Symposium VI)

Hall 7

Session Chairs: Javier Garcia Martinez, Elena Serano

15:45-16:00

Chemistry teachers’ learning process in Mentoring assisted inquiry-based teaching system Hsiao Lin Tuan, Chung Jey Yu, Wen Yu Lee, Chi Chin Chin

16:00-16:15

Advancing science, engaging STEM learners Ellene Tratras Contis Coffee Break

14:15-14:30

Chemistry education: The role of new technologies Elena Serrano, Javier Garcia Martinez

14:30-14:45

Textbooks or web based instructions Jan Apotheker

16:15-16:30

14:45-15:00

Context-based learning multimedia: Bridges into the real world of students Ilka Parchmann


15:00-15:15

Interactive visualizations to build bridges Peter G. Mahaffy

Session Chairs: Wonwoo Nam, Artem Gushchin

15:15-15:30

Using innovative technology in chemistry learning Mei Hung Chiu, Chin Cheng Chou, Wei Tian Tang, Chi Hua Lin

15:30-15:45

Teaching and learning chemistry through argumentation Sibel Erduran, Aybuke Pabuccu

15:45-16:00

Peer-Led Team Learning (PLTL) Morton Z Hoffman

16:00-16:15

IOCD strategy to support chemical knowledge dissemination Alain Krief

16:15-16:30

Active learning in large lecture courses Marcy Towns


Session Chairs: Zafra Lerman, Pascal Mimero 14:15-14:30

Hall 8

The effect of context on perceived cognitive load and students’ achievements in the problem solving tasks in primary school chemistry teaching Dušica Milenkovic, Mirjana Segedinac, Tamara Hrin, Gordana Gajic Repetition of hydrocarbons using SATLC method: Repetition classes with using systemic assessment questions [SAQs] Tamara Hrin, Mirjana Segedinac, Saša Horvat

14:45-15:00

A case study of the development of teaching ability of a pre-service chemistry teacher Jaeyoung Han

15:00-15:15

Success stories - use of routine and nonroutine crystallographic techniques in undergraduate colleges Ilia A Guzei

15:15-15:30

Chemical attraction: A traveling interactive activity for kids Jean Daniel Doucet, Normand Voyer, Michèle Auger The application of interactive lecture demonstrations in first year chemistry lectures Siegbert Schmid, Adam J Bridgeman, Katrina A Badiola

Hall 1

16:30-17:15

Keynote 12: Recent Developments :The Design and Synthesis of Phthalocyanines for Sensing Applications Ayşe Gül Gürek

17:15-18:00

Keynote 13: Catalytic Direct Arylation Polymerization: Scope and Mechanism Fumiyuki Ozawa

18:00-18:15

Effects of fuel types and doping levels on luminescent properties of Tb and Dy doped LaBO3, synthesized via microwave assisted method Cansin Badan, Asghar Ali, Okan Esenturk, Aysen Yilmaz


14:30-14:45

15:30-15:45


Session Chairs: Laurent Bouffier, Sergey Vladimirovich Yudintsev



Hall 2

16:30-16:45

Quantum simulations of the structure and dynamics of water cluster anions Laszlo Turi, Peter J. Rossky, Daniel Borgis

16:45-17:00

Bis (quinuclidine) Bromine(I) Bromide a Mild Oxidizing Reagent for Cyclic Alcohols; Kinetics and Mechanism Abduhameed Ar Laila, Moayad B Alqam

17:00-17:15

Refractive Index of Dilute Aqueous Solutions of Quaternary Ammonium Salts. A New Differential Fiber Optical Refractometer Miguel Angel Montero, Luis Hernándo Blanco, Carmen María Romero

17:15-17:30

Convenient solvatochromic probes for the determination of solvent properties: Betacarotene and 2-chloro-7-nitro-9H-fluorene Omar A El Seoud, Carina Loffredo, Paulo A. R. Pires, Paolo D. Pulcini, Michelle F. Corrêa

17:30-17:45

Voltammetric Determination of Selenium at Glassy Carbon Electrode Modified by Methonic acid based on Electrochemical oxidation of N-acetyl L-methionine Saddalah Tawfeaq Sulaiman, Haitham A Alwahab, Zahra A Bader

17:45-18:00

Solvent Effect on Complexation of AlkaliMetal Cations by a Calix[4]arene Amide Derivative Gordan Horvat, Vladimir Stilinovic, Branko Kaitner, Leo Frkanec, Vladislav Tomisic

41



Hall 13

Session Chairs: Wei Yang, Emrah Özensoy 16:30-16:45

16:45-17:00

Adsorptive removal of Cu2+ with novel Alumina, iron oxide and aluminairon oxide modified polymeric composites Mehtap Erşan, Esra Bağda, Feride Düğenci, Elif Bulut, Derya Öztürk, Demet Arslanali Molecular Functions in Si-Device for SingleElectron Memory Yutaka Wakayama


Session Chairs: Kate L Nicholson, Michael Hocek

Invited Speaker: Polymerase synthesis of base-modified nucleic acids for diagnostics and chemical biology Michael Hocek

17:15-17:30

Isolation and Structure Elucidation of the Constituents of Some Anatolian Nepeta Species with Bioactivities Anıl Yılmaz, Gülaçtı Topçu

Session Chairs: Mei-Hung Chiu, Andrew P. Dicks

42

Session Chairs: Judith Poe, Morton Z. Hoffman

Hall 7

16:30-17:15

Keynote 7: Chemistry education through the arts: Drawing, dance, drama and computer animation Zafra Lerman

17:15-17:30

Learning to teach nature of science: The impact of an explicit and contextualized approach Christiane S. Reiners

17:30-17:45

Use of history of science in teaching heat and temperature: What if thermometers do not exist? Musa Şahin, Oya Ağlarcı, Hakan Sarıçayır

17:45-18:00

Reflective inquiry-contexts in chemistry teacher education Andrea Schumacher, Christiane S. Reiners

Hall 8

16:30-16:45

On moral philosophy of chemistry Michael Ch Michailov, Eva Neu, Selma Krammer, Peter Birkenbihl, Manfred Holler

16:45-17:00

Quality Eurolabels in chemistry, to foster student mobility and recognition, at bachelor, master and doctoral levels Pascal Mimero, Reiner Salzer

17:00-17:15

On integrative chemistry in education and research Eva Neu, Michael Ch. Michailov, Guntram Schulz, Govindaraja V. Iyengar, Michael Schratz

17:15-17:30

Application of ethnochemistry and ethnomedicine of ancient Papua New Guineans to motivate students in secondary schools and universities in PNG. Basil Marasinghe, P. Jeyarathan

Hall 6

16:30-17:15



18:00-19:00 / POSTER SESSIONS - 3

10:00-10:15

Plenary Lecture

Hall 1

The Role of the Heisenberg Unceertainty Principle in Bulk Heterojunction Solar Cells


Alan Heeger

10:15-11:00

Keynote 8: Sugars & proteins: towards a synthetic biology Benjamin G. Davis

11:00-11:15

Prevention of Fetal Alcohol Syndrome (FAS): New Iniciative In Bogotá D.C. Colombia Jenny Marcela Capera Rodriguez, Heidi Liliana Martínez Rojas, Berta Inés Delgado Fajardo

10:15-11:15

TUBITAK Supports for National Academic R&D Projects Elif Ece İlter

11:30-12:30

Plenary Lecture

Session Chairs: Benjamin G. Davis, Glen D Lawrence

Coffee Break

10:15-12:15 / PARALLEL SESSIONS-11 Physical Chemistry / PC-O-11

Session Chairs: Pavel Matejka, Ghulam M. Peerzada 10:15-10:30

10:30-10:45

Hall 6

Hall 2

Explosive Detection Mechanisms in Silole- and Silafluorene Containing Photoluminescent Polymers: A Computational Approach Burcu Dedeoğlu, Alimet Sema Özen, Viktorya Aviyente Solvent Effect on the Kinetics, Tacticity and Composition in Free Radical Polymerization Reactions: A Computational Study Viktorya Aviyente, Tuğba Furuncuoğlu Özaltın, Özlem Karahan

10:45-11:00

A New Method For Alcohol Content Determination Of Fuel Oils By Terahertz Spectroscopy Enis Arık, Can Koral, Hakan Altan, Okan Esentürk

11:00-11:15

Refractive Index of Dilute Aqueous Solutions of Quaternary Ammonium Salts. A New Differential Fiber Optical Refractometer Miguel Angel Montero, Luis Hernándo Blanco, Carmen María Romero

Hall 10

Hall 1

6th Day / 16.08.2013 / Friday

09:00-10:00

Organic and Bio-Organic Devices for Sustainable Optoelectronics Niyazi Serdar Sariciftci 12:30-13:15 Closing Ceremony

Hall 1

43

SYMPOSIA

SYMPOSIUM I – Preserving Water Resources ORAL PRESENTATION SESSIONS

12 August 2013 Monday / 10:15–12:15 / Hall 3 Session Chairs: Hessy Taft 10:15-10:45

Water Impacts on Clean Energy Considerations and Direction Mike Hightower

10:45-11:15

Water Resources Management and Hydropower in Africa Enhancing Water-Food-Energy Security A. Bahri

11:15-11:45

Restorative water technologies: from an old tradition towards a new paradigm Leonor Amaral, Pedro Coelho, Fernando Santana, Antonio G Brito, Luciana Peixoto, Ribeiro Daniel, Gilberto Martins, Partpot Pier

11:45-12:00

Increasing the Economic Efficiency of Removing Dye From Industrial Wastewater Through Electrical and Chemical Coagulation Mohammad Ebrahim Olya, Azam Pirkarami

12:00-12:15

Implantation of Organic Molecules in the Tunnels of the Sepiolite Deniz Karataş, Adem Tekin, Mehmet Sabri Çelik

12:15-12:30

Development of Nanofiltration Membranes for Treatment and Recovery of Chromium R Geetha Balakrishna, Jyothi M Shivanna, Mahesh S Padaki

Sponsored by: IUPAC Project Committee, US National Academy of Sciences, ACS Division Environmental Chemistry, ACS Committee on Science

SYMPOSIUM II – Converting Biomass to Energy ORAL PRESENTATION SESSIONS

13 August 2013 Tuesday / 10:15–14:45 / Hall 3 Session Chairs: Hessy Taft 10:15-10:45

Microalgae Oil As Feedstock For Biofuel Ohad Zuckerman

10:45-11:15

Influence of Biodiesel-to-Diesel Addition on Emissions of Major Ions and PAH Particle Size Distributions Jailson Bittencourt De Andrade, Ana Carla Regis, Aline Lefol Guarieiro, Joao Vitor Santos, Jose Santos Domingos, Gisele Olimpio Da Rocha, Ednildo Andrade Torres, Arantzazu Eiguren Fernandez

11:15-11:45

Fuel Ethanol Production from Agricultural Residues Badal C. Saha, Ayse Avci, Nancy N. Nichols, Nasib Qureshi, Michael A. Cotta

11:45-12:00

Catalytic Gasification of Xylose In Supercritical Water Dilek Selvi Gökkaya, Mehmet Saglam, Mithat Yüksel, Levent Ballice

12:00-12:15

Integrated Transformation of Carbohydrates to 5 Hydroxymethylfurfural (HMF) Carlos A M Afonso, Svilen P Simeonov, Jaime A S Coelho

13:15-14:15

Plenary Session

14:15-14:30

Hybrid nanocellulosome: High enhancement of cellulolytic enzyme activity by clustering Mitsuo Umetsu, Hikaru Nakazawa, Do Myoung Kim, Izumi Kumagai

14:30-14:45

Comparison of acid and enzymatic hydrolysis for bioethanol production from municipal solid waste Oriol Jimenez Silva, Julio Cesar Ramirez Rodriguez, Julian David Puerto Suarez

14:45-15:00

Use of Solvatochromism to Detect FAME/Biodiesel in Diesel Ziling Xue, Jonathan K. Fon

SYMPOSIA

12:15-13:15 LUNCH

Sponsored by: IUPAC Project Committee, US National Academy of Sciences, ACS Division Environmental Chemistry, ACS Committee on Science

45

SYMPOSIUM III – Analytical and Risk Considerations for Nanomaterials and Emerging Environmental Contaminants ORAL PRESENTATION SESSIONS

12 August 2013 Monday / 10:15–12:15 / Hall 9 Session Chairs: Prof. Hemda Garelick (Middlesex Univ., UK), Prof. Nadia G. Kandile (Ain Shams Univ, Egypt), Prof. Dr. Semra G. Tuncel, (Middle East Tech. Univ.(METU), Turkey) 10:15-10:45

Human pharmaceuticals in the aquatic environment: occurrence, fate and elimination strategies Christa S Mcardell

10:45-11:05

Transformation of Engineered Nanomaterials in the Environment Sherine O. Obare, Clara P. Adams, Katherine A. Walker, Kathryn M. Docherty

11:05-11:25

Nanosafety: consideration of nanomaterials risks in handling, preparation and utilisation Rafael Luque

11:25-11:40

Transformation and Fate of Engineered Silver Nanoparticles in Aquatic Environments Christian Gagnon, Patrice Turcotte, Martin Pilote, Joelle Auclair, Chantal André, Audrey Bruneau, Francois Gagné

11:40-11:55

Determination of Heavy metals and Persistent Organic Pollutants (POPs) in Indoor Dust from Istanbul, Turkey: Estimation of the Health Risk Perihan Binnur Kurt Karakus, Aslınur Topçu, Liisa Jantunen, Kevin Jones

11:55-12:10

Polymer Brush Grafted Magnetic Nanoparticles for Highly Efficient Water Remediation Hatice Duran, Basit Yameen, Zehra Oluz, Eylül Tuncel, Aleeza Farrukh

This symposium is sponsored by the ”IUPAC Chemistry and the Environment Division VI”

SYMPOSIUM IV – Marine Pollution and Sustainable Management of Coastal Environment ORAL PRESENTATION SESSIONS

12 August 2013 Monday / 14:15–16:15 / Hall 3

SYMPOSIA

Session Chairs: Prof. Manos Dassenakis (Uni of Athens, Greece), Dr. Bahattin Yalcin ( Marmara University, Turkey)

46

14:15-14:35

Metal bioaccumulation in tissues of Mytilus Galloprovincialis in conjuction with seawater metal levels Manos Dassenakis, Olga Chalkiadaki, Vasiliki Paraskevopoulou, Athanasios Valavanidis, Nikolaos Lydakis Simantiris

14:35-14:55

Chemical Speciation in Fresh, Saline and Hyper-Saline Waters Stefka Stoyanova Tepavitcharova, Diana Rabadjieva, Tihomir Todorov, Manos Dassenakis, Vasiliki Paraskevopoulou, Antonina Kovacheva

14:55-15:15

Principal component analysis (PCA) of trace elements in surface sediments sampled along the southeastern Adriatic coast Slavka Stankovic, Bojan Tanskovski, Bozidarka Zlatic, Milica Arsenovic, Lato Pezo

15:55-16:15

Bibliometric Analysis of Research on Secondary Organic Aerosols Jinfeng Li, Yuanhang Zhang, Marjan Veber, Paul H Wine, Leo Klasinc

16:15-16:30

COFFEE BREAK


SYMPOSIUM V – Bioavailability of Metals, Metalloids and Organic Contaminants in the Environment ORAL PRESENTATION SESSIONS

13 August 2013 Tuesday / 10:15–12:15 / Hall 4 Session Chairs: Prof. Dr. Willie J. G. M. Peijnenburg (Rijksinstituut voor Volksgezondheid en Milieuhygie, the Netherland) , Dr. Bradley W. Miller (USEPA), Dr Sinem Gokturk (Marmara University, Turkey) 10:15-10:32

Estimating the bioavailability of trace metals/metalloids and persistent organic substances in terrestrial environments: challenges and need for multidisciplinary approaches Petr S. Fedotov

10:32-10:49

Prediction of metal bioavailability in soils using multi-omponent Freundlich models Willie Peijnenburg

10:49-11:06

Utilizing thin-film solid-phase extraction techniques to examine the bioavailability of aged pesticide residues in soils receiving organic carbon amendments Natasha A. Andrade, Tiziana Centofanti, Laura L. McConnell, Cathleen J. Hapeman, Alba Torrents, Anh Nguyen, W. Nelson Beyer, Rufus L. Chaney, Jeffery M. Novak, Marya O. Anderson, Keri B. Cantrell

11:06-11:23

Environmental Exposure and Toxic Effects of Uranium Aerosol from Depleted Uranium Weapons Glen D Lawrence, Kamelkumar Patel

11:23-11:40

Bioavailable and bioaccessible pools of soil bound Metal(loid)s: Results from in vitro extraction, X-ray absorption spectroscopy, and in-vivo feeding studies Bradley W Miller, Kirk G Scheckel, Karen D Bradham, David J Thomas

11:40-11:57

Speciation and availability of mercury in coals. Case study: South African coals Ewa Maria Cukrowska, Julien Lusilao Makiese, Emmanuelle Tessier, David Amouroux

11:57-12:15

Hard-Soft Acid-Base Interactions Overshadowed By Covalent Character in Hg(II) Complexes Aliyar Mousavi


SYMPOSIUM VI – Education in Chemistry: Innovative Teaching and Learning ORAL PRESENTATION SESSIONS

15 August 2013 Tuesday / 14:15–16:30 / Hall 7

14:15-14:30

Chemistry education: The role of new technologies Elena Serrano, Javier Garcia Martinez

14:30-14:45

Textbooks or web based instructions Jan Apotheker

14:45-15:00

Context-based learning multimedia: Bridges into the real world of students Ilka Parchmann

15:00-15:15

Interactive visualizations to build bridges Peter G. Mahaffy

15:15-15:30

Using innovative technology in chemistry learning Mei Hung Chiu, Chin Cheng Chou, Wei Tian Tang, Chi Hua Lin

15:30-15:45

Teaching and learning chemistry through argumentation Sibel Erduran, Aybuke Pabuccu

15:45-16:00

Peer-Led Team Learning (PLTL) Morton Z Hoffman

16:00-16:15

IOCD strategy to support chemical knowledge dissemination Alain Krief

SYMPOSIA

Session Chairs: Javier Garcia Martinez, Elena Serano

47

50

POSTER PROGRAM

Pub. No. P-0001

Abstract no: 364

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Title

Authors

Recent Efforts in the Quest for the Cyclopentazolate Anion Preparation of Li4SiO4 Using Rice Hush Ash with Li2CO3 and Production of Biodiesel as Catalyst Co-sensitization of TiO2 electrodes by CdS quantum dots and dye N719 in Dye-sensitized Solar Cells Preparation and hydrogen storage characteristic of hollow glass microsphere Plasmon-enhanced dye sensitized solar cellw with silver@dendron nanoparticles Biomass Liquefaction In Supercritical Organic Solvents: Effects of Various Parameters on Product Yields and Characterization of Products Liquefaction of Heracleum Persicum by Supercritical Fluid Extraction

Issam Kobrsi

Analysis of ethyl- levulinate from biomass like automotive biofuel Photocatalytic H2 Production from Protons with Re and Co complexes Water splitting with zinc porphyrins and a nickel(bis)dithiolene complex Electrochemical characteristics of Li-air batteries with ionic liquid-based mixed electrolytes Nickel-Dithiolene Complexes Alternative to Cobaloximes for Photocatalytic Hydrogen Production from Protons Reduction

Sergio Fabián Sein

Chiing Chang Chen, Po Hsiang Wang, Yong Ming Dai, Jhong Syuan Wu Binghai Dong, Tianjin Zhang, Jing Li, Li Zhao, Zuxun Xu, Hongbing Lu, Li Wan, Shimin Wang Heondo Jeong, Ko Yeon Choo, Tae Hwan Kim Jongok Won, Jinsun Yoon, Hong Kyu Song, Sungjin Park Tevfik Aysu, Halil Durak, M. Maşuk Küçük

2nd Day / 12.08.2013 / Monday

Clean Energy Through Chemistry / CETC-P-01

Tevfik Aysu, Halil Durak, M. Maşuk Küçük

Christina Kefalidi, Christiana Mitsopoulou Athanasios Zarkadoulas, Christiana A. Mitsopoulou Eunsaem Ahn, Jae Seok Kim, Yongsug Tak Eugenia Koutsouri, Christiana Mitsopoulou

Pub. No. P-0016

Abstract no: 197

P-0017

190

P-0018

202

P-0019

326

P-0020

329

P-0021

339

P-0022

782

P-0023

388

P-0024

426

P-0025

481

P-0026

510

Title

Authors

New Design of Electrochemical DNA Sensors Implementing Phenazine Dyes for the Detection of Proteins and Low-Molecular Compounds

Anna Veniaminovna Porifryeva, Veronika Borisovna Stepanova, Vladimir Andreevich Smolko, Gennady Arturovich Evtugyn, Tibor Hianik Elif Bulut, Mehtap Erşan, Özlem Pelin Can, Ünsal Açıkel, Feride Düğenci Rezeda Vakifovna Shamagsumova, Elena Sergeevna Piven, Rusal Rustamovich Sitdikov, Ivan Ivanovich Stoikov, Gennady Arturovich Evtugyn Ryoji Akiyama

The Detection Lipaze Activity and microbiolygical quality of Sterile milk Cholinesterase Sensors Based on Silver Nanoparticles Implemented in Macrocyclic Matrices for Pesticide Detection DETERMINATON OF Fe(II) AND TOTAL-Fe AT THE SURFACE OF GLASS Field portable XRF analysis of polybrominated flame retardants in TV and PC waste plastics Detection of human chemical signatures in homeland security applications Mercury speciation in Asian dried seafood by LC-ICP-MS Stability-Indicating Capillary Electrophoresis Method Development and Validation for Cinacalcet in Pharmaceutical Formulations Rare Earth Analysis by Mobile X-Ray Fluorescence Development of an Improved Ligand Exchange Chiral Stationary Phase and the Enantiomeric Separation of Proton Pump Inhibitors and Analogues Response Surface Optimization of UltrasoundAssisted Extraction of Total Phenolic Content from Rosehip (Rosa canina L.)

Alexia Aldrian, Alfred Ledersteger, Roland Pomberger Stamatios Giannoukos, Boris Brkic, Stephen Taylor Ang Wei Min, Tan Buay Ting, Chan Sheot Harn Mona M Alshehri, Hadir M Maher, Maha A Sultan, Ibrahim A Darwish, Nourah Z Alzoman, Eliana V Olah Nikolaos Kallithrakas Kontos, Maria Lykaki

POSTER SESSION - I

Chemical Analysis / CA-P-01

Hye Jee Han, Jin Joo Ha, Myung Ho Hyun

Zeynep Ilbay, Selin Şahin, Şah Ismail Kırbaşlar 51

2nd Day / 12.08.2013 / Monday POSTER SESSION - I 52

P-0027

538

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539

P-0029

591

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592

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594

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605

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608

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614

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615

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685

P-0037

716

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719

P-0039

779

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785

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837

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872

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891

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926

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949

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971

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993

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996

P-0049

1005

P-0050

1062

Comparison of DPPH Radical Scavenging Activities of Different Herbal Teas Determination of Fatty Acid Content of Ribwort Plantain (Plantago lanceolata) Plant Microfluidic chip-based nano-liquid chromatography tandem mass spectrometry for quantification of aflatoxins in peanut products Determination of Penicillins Using Ionic Liquid Based Chitosan Development of Solid Phase Sorbents Based on Mono and Dicationic Imidazolium Ionic Liquids for Determination of Sulfonamides Electrochemical-Chemical-Chemical Redox Cycling for Ultrasensitive Immunosensors Use of Hydrophilic and Hydrophobic Ionic Liquids in Solid Sorbents for Quantitative Determination of Fluoroquinolones by HPLC Effect of E-beam irradiation on COPs formation in RTE food samples. Evaluation by GC and principal component analysis Enantiomer determination of imidazolinone herbicides in environmental samples by chiral two-dimensional liquid chromatography using a protein based column Cloud point extraction method for determination of Astrazon Red GTLN textile dye in water samples by using TX-114 as a surfactant Determination of Chromium Species in the Workplace Air Using HPLC-ICP-MS Technique Analytical Strategy in Mass Spectrometry for Determination of Arsenic in the Workplace Air. The Possibility of Using LA-ICP-MS Technique Rapid Determination of Central Nervous System Disease Biomarkers in Human Serum by LCMS and Coumarin-based Flourescent Chemical Sensor Carbon Stable Isotope Ratios of Turkish Honey: Botanical and Geographical Aspects Biodiesel sample preparation by microemulsion for the determination of cadmium using GF AAS Determination of Tetracycline and ß-lactam Residues in Chicken Meat by HPLC Method Surfactant-Based Extractions Used for the Separation and Preconcentration of Trace Lead from Natural Waters Spectrochemical determination of dissolved cationic aluminium species in water samples after their solid phase extraction using some nanosized metal oxides Determination of abuse drugs in human urine using quick, easy, cheap, effective, rugged and safe (QuEChERS) extraction coupled with liquid chromatography- tandem mass spectrometry Phytochemical and Biological Investigations on Cirsium leucopsis Fatty Acid and Essential Oil Compositions and Biological Activity of Hypericum capitatum var. capitatum Constituents of Cirsium eriophorum with Antioxidant and Anticholinesterase Activities Antioxidant and Anticholinesterase Activities of Pistacia terebinthus and P. khinjuk with Mycotoxin Levels The Comparison of Salivary Glands Phospholipids of Ixodid Ticks (Acari: Ixodidae), Dermacentor marginatus and Hyalomma marginatum

Ferda Eser, Mahfuz Elmastaş, Adem Önal Ferda Eser, Hüseyin Akşit, İbrahim Demirtaş, Adem Önal Hsiang Yu Liu, Shu Ling Lin, Shan An Chan, Tzuen Yeuan Lin, Ming Ren Fuh İrem Bayar, Paniz Tanizhakkori, Deniz Erdoğan, Mine Antep, Nalan Tüzmen, Melek Merdivan, Serap Seyhan Bozkurt İrem Bayar, Paniz Tanishakkori, Deniz Erdoğan, Mine Antep, Serap Seyhan Bozkurt, Nalan Tüzmen, Melek Merdivan Md Rajibul Akanda, Haesik Yang Deniz Erdoğan, Paniz Tashakkori, İrem Bayar, Mine Antep, Melek Merdivan, Serap Seyhan Bozkurt, Nalan Tüzmen Luis María Polo Díez, Mª Jesús Santos Delgado, Juan José Lozada Castro Yolanda Valencia Cabrerizo, Yinay De León Barrios, M. Jesús Santos Delgado, Luis María Polo Díez Abdullah Taner Bişgin, Mustafa Uçan, İbrahim Narin Magdalena Stanislawska, Beata Janasik, Renata Brodzka, Wojciech Wąsowicz Renata Brodzka, Magdalena Stanislawska, Beata Janasik, Malgorzata Trzcinka Ochocka, Wojciech Wasowicz Yeun Mun Choo

Elif Yorulmaz Önder, Aslı Elif Sunay, Dilek Boyacıoğlu Leonardo Sena Gomes Teixeira, Adriana Silva Lima, Deise Guimarães Silva Tuğba Yıldız, F. Ayça Özdemir Olgun, Birsen Demirata Öztürk Ingrid Hagarová, Peter Matúš, Marek Bujdoš Peter Matus, Ingrid Hagarova, Marek Bujdos, Lucia Canecka, Katarina Boriova, Michal Hlodak, Ivana Pifkova Maw Rong Lee, Pei Cheng Wang, Ren Jye Lee, Yan Zin Chang Mehmet Boğa, Pelin Köseoğlu, Ufuk Kolak Mehmet Boğa, Abdulselam Ertaş, Ufuk Kolak, Gülaçtı Topçu, Ahmet Ceyhan Gören, Yeter Yeşil Pelin Köseoğlu, Mehmet Boğa, Ufuk Kolak Işıl Hacıbekiroğlu, Pelin Köseoğlu, Ufuk Kolak Önem Yüce Şahin, Adem Keskin, Meryem Dumanlı, Ahmet Bursalı

1064

P-0052

1066

P-0053

1068

P-0054

1083

P-0055

1089

P-0056

1517

P-0057

464

P-0058

436

P-0061

137

Comparison of Total Fatty Acids and Phospholipids of the Male and Female Rhipicephalus bursa Sample recovery in liquid chromatography of synthetic polymers PAMAM built-on-silicon wafers thinlayer extraction devices for selective metal contamination detection in biofluids Voltammetric sensor for determination of hair dye acid green 25 in wastewater by multiwalled carbon nanotubes electrode SABRE 5000. Determination of the detection limits for the common explosives Electrochemical Behavior of Tadalafil on the TiO2-Modified Carbon Nanotube Electrode and its Application to Pharmaceutical Drug Simultaneous Spectrophotometric Determination of isoniazidAnd mesalamineUsing H-Point Standard Addition Method Geleh Sar Shor as a new natural adsorbent for extraction and preconcentration of Mercury ions in environmental and food samples Electrochemical Boron-Doped Diamond Film Microcells Micromachined with Femtosecond Laser: Application to the Determination of Water Framework Directive Metals

Meryem Dumanlı, Önem Yüce Şahin, Adem Keskin, Ahmet Bursalı, Necmettin Yılmaz Alena Siskova, Eva Macova, Dusan Berek Fabiane M Nachtigall, Oscar V Lizama, Claudia E Vergara, Zoraya E Lopez Cabaña, Leonardo S Santos Maria Valnice Boldrin Zanoni, Ricardo Alexandrino Oliveira Dariusz Adam Blachut, Slawomir Szczepanczyk, Marcin Paduch, Piotr Potejko Ersin Demir, Ersin Demir, Recai Inam, Bengi Uslu, Sibel Aysil Ozkan Theiaa Najim Al-sabha, Nagham Nathem Habeeb

2nd Day / 12.08.2013 / Monday

P-0051

Zahra Hassanzadeh Siahpoosh, Majid Soleimani Hamlaoui Med Larbi, Sbartai Amel

Chemistry for Cultural Heritage / CCH-P-01

P-0068

Abstract no: 14

P-0069

3033

P-0070

1285

P-0071

2088

P-0072

2366

P-0073

2368

Title

Authors

Asbestos Exposure and Occupational Safety in Restoration and Conservation Practices Types of Exposure and Occupational Safety in Restoration and Conservation Applications of Painted Surfaces Analyses of natural varnishes in artworks: Biomarkers and degradation Salt-weathered Heritage sites: a study on the effectiveness of eco-friendly crystallization inhibitors in the presence of protective treatments The Jordan Conservation of Cultural Heritage in ERA – JOCHERA project is aiming at overall reinforcement of University of Jordan (UJ), Hamdi Mango Center for Scientific Research (HMCSR) in Jordan cooperation capacities for cultural heritage protectio Conservation Materials and Archaeometry Techniques in Jordan (2000 – 2012): A Review

Hazal Özlem Ersan Hazal Özlem Ersan Clara Azémard, Matthieu Ménager, Cathy Vieillescazes Catia Russo, Assunta Marrocchi, Alessandra Broggi, Maria Paola Bracciale, Maria Laura Santarelli Abeer F Al Bawab, Ramdan Abdallah, Fadwa Odeh, Ayat Bozeya, Haneen Al Ashqar

Abeer F Al Bawab, Abeer F Al Bawab, Maram Na’es

Chemical Synthesis / CS-P-01 Pub. No. P-0075

Abstract no: 27

P-0076

39

P-0077

113

P-0078

125

P-0079

141

P-0080

175

Title

Authors

Novel Highly Twisted Polynuclear Heteroaromatics (PHAs)

Tetsuji Moriguchi, Tetsuhisa Yamashita, Akihiko Tsuge, Shuichi Nagamatsu, Tatsuo Okauchi, Wataru Takashima Ibrahim Fazil Sengul, Naresh Kumar, David Stc. Black Nisar Ullah

Synthesis of macrocyclic systems derived from 2-substituted bis-indoles Synthesis of 5-piperidinyl and 5-piperazinyl-1Hbenzo[d]imidazol-2(3H)-ones Solvent-free Preparation of 1,1-Diacetates from Aldehydes Mediated by MoCl5 at Room Temperature Synthesis of Silyl Substituted New Benzimidazole and Imidazole Metal Complexes Short Synthesis of COX-2 Inhibitor Inotilone

POSTER SESSION - I

Pub. No.

Elham Henareh, Behzad Zeynizadeh Nihat Şireci, Hasan Küçükbay Saleh N. Al-Busafi, Muna Al-Belushi, Khalid Al-Muqbali

53


P-0081

305

New complexes of trivalent lanthanides with N-2-hydroxy-benzylidene-N'-βhydroxyethylethylenediamine The synthesis of metal and oxide nanopowders by thermic decomposition of metal complexes and hydroxides Synthesis of new activated di-(3-indolyl)arenes

P-0082

338

P-0083

356

P-0084

367

P-0085

402

P-0086

431

Biological Activity of some New 17-Substituted Androstane Derivatives

P-0087

466

P-0088

487

P-0089

520

P-0090

523

P-0091

557

P-0092

558

P-0093

560

Synthesis and characterization of Schiff base polymers of terephthaldehyde with aromatic aminophenols via oxidative polycondensation Pyridine- Carbonitrile In Heterocylic Chemistry: An Efficient And Improved Method for The Synthesis of Fused Pyrimidine And Isoquinoline Derivatives Palladium-Catalyzed Cycloisomerization of Enynes to Bicyclo[4.1.0]hept-2-enes Photoaddition Reactions of Fullerene C60 with alpha-Silyl tert-Amines Leading to New Fullerene Derivatives Carbohydrate bis(oxazoline) ligands in the cyclopropanation of indoles New thermally Stable Photochromic-Fluorescence 5-methyl-2-phenyl thiazolil Derivatives of Bisaryl Naphthalimides Synthesis and characterization of neutral and acid silver salts of 12-tungstophosphoric acid

P-0094

565

P-0095

572

P-0096

577

P-0097

589

P-0098

636

P-0099

721

P-0100

734

P-0101

738

P-0102

742

P-0103

748

P-0104

790

Oxygenated Pyrrolidinones: Enantiopure Heterocycles Modelled on Pramanicin New polyoxotungstoselenite complexes

Camphor/Imidazoline Derived Ligands for Nitroaldol Reaction Precursor Design for the Chemical Vapor Deposition of Hafnium Oxide Thin Films Synthesis and Properties of Tetrafluorobenzene Push-Pull-Push Chromophores with Thiophene Moiety Dicyano-Substituted Acceptor Units in Push-Pull Chromophores featuring Intramolecular ChargeTransfer Ruthenium(II) Complexes with Unsymmetrical C^N^C’ Pincer-type N-Heterocyclic Carbene Ligands: Synthesis, Structures and Photophysical Properties Synthesis and Characterization of Novel Polymeric Phthalocyanines Bearing N,N-Bis(Ethyleneoxy) p-Nitroaniline Moieties chiral brønsted acid catalyzed highly enantioselective [3+2] cycloaddition reaction of hydrazones with various alkenes Imidazolium as an acceptor unit in push-pull chromophores Synthesis and Properties of Push–Pull Chromophores Based on Thiophene-3,4dicarbonitrile Ni Catalyzed Negishi Coupling of Mixed Diorganozinc Atom Economic Aryl-Alkyl Coupling Facile entry to highly hindered chiral diamines and β-amino triazoles

Bahattin Yalcin, Mri Haydar Abbasov, Ajdar Akbar Medjidov Bahattin Yalcin, Ismail Mehdiyev Hüseyinov, Perizad Fatullayeva, Zaur Ibayev, Akif Israfilov, Ajdar Medjidov Ibrahim Fazil Sengul, Paul K. Bowyer, Naresh Kumar, David Stc. Black Song Wei Benjamin Tan, Christina Li Lin Chai, Mark G. Moloney Irina Kalinina, Natalya Izarova, Eugenia Peresypkina, Nikolay Kompankov, Nikolay Moroz, Ulrich Kortz, Maxim Sokolov Jovana Ajdukovic, Marina Savic, Marija Sakac, Katarina Penov Gaši, Dimitar Jakimov, Evgenija Djurendic Feyza Kolcu, Ismet Kaya Siham Abdulrahman Alissa

Young Keun Chung, Hye Mi Oh, Jisu Kim Kyung Mok Kim, Hea Jung Park, Ji Na Kim, Hyun Ji Yoo, Ung Chan Yoon Thea Schubach, Gülsüm Özüduru, Oliver Sowada, Mike Martin Kwabena Boysen Mustafa Narin, Ersin Orhan Ivanka Holclajtner Antunovic, Alexandrou Popa, Danica Bajuk Bogdanovic, Slavko Mentus, Bojana Nedic Vasiljevic, Snezana Uskokovic Markovic Filip Bures, Jiri Tydlitat, Jiri Kulhanek Bradley D Fahlman, Phillip A Medina Jiri Kulhanek, Filip Bures Miroslav Ludwig, Filip Bureš Chia Liang Kuo, Chen Shiang Lee, Wen Shu Hwang Ahmet Bilgin, Durmuş Yanmaz, Çiğdem Yağcı, Ümit Kadiroğlu Hatice Başpınar Küçük, Modhu Sudan Maji, Magnus Rueping Falko Pippig, Filip Bureš Manikannan Ramaiyan, Jiri Kulhánek Özgen Ömür Pekel, Ender Erdik Kee In Lee, Arigala Pitchaiah, Venkata Subbaiah Sadu, In Taek Hwang

P-0106

826

P-0107

864

P-0108

882

P-0109

895

P-0110

903

P-0111

909

P-0112

927

P-0113

936

P-0114

1006

P-0115

1008

P-0116

1019

P-0117

1022

P-0118

1029

P-0119

1032

P-0120

1045

P-0121

1046

P-0122

1057

P-0123

1058

P-0124

1059

P-0125

1067

P-0126

1076

P-0127

1079

Microwave Assisted Synthesis of A Novel Manganese and Indium Phthalocyanines Containing Peripheral 2-(4-methyl-1,3-thiazol-5yl)ethoxy Substituents Synthesis, characterization and optical properties of some novel phenylsulfanyl substituted formazans Design of organocatalysts for asymmetric direct aldol reactions Synthesis of High Affinity Contrast Agents for Targeted MR Neuoroimaging Manganese(III)-Based Oxidation Of Cyclic 1,3-Dicarbonyl Compounds In The Presence Of Unsaturated Alcohol Synthesis of New Aryl(Hetaryl)-Substituted Tandospirone analogues Under Reductive Heck Type Hydroarylations with Expected Anxiolytic Activity Covalent modification of carbonyl iron microparticles with polybutylacrylate shell and behaviour of their suspensions in magnetic field Synthesis and Characterization of A New Thiocarbohydrazone and Its Dioxomolybdenum(VI) Complexes Design, Synthesis and Characterization of Activatable Photosensitizers for Photodynamic Therapy Photophysical properties of novel, unsymmetrical, octasubstituted phthalocyanines bearing ethynylthiophene moieties Synthesis and Characterization of Group 13 Complexes of Bis(pyridyl)methine The synthesis of new carbohydrate alkyne derivatives Synthesis of 5-Aminopyrazole and 4-Quinolone Compounds Containing Hydroxy Phosphonic Acid Group Microwave Assisted Synthesis and Characterization of Novel Phthalocyanines Synthesis, characterization and photochemical properties of cobalt and cupper phthalocyanines having extended π-electrons conjugation Novel Polymeric Potassium Complex: Its Synthesis, Structural Characterization, Photoluminescence And Electrochemical Properties Structural Characterization of Some Schiff Base Compounds: Investigation of their electrochemical, photoluminescence and thermal properties Synthesis and Solid Phase Extraction Properties of Silica-Supported Bis(diazoimine) Ligand Synthesis, Electrochemical and Photoluminescence Properties of Multifunctional Bis(diazocarbonyl) Compound Synthesis and characterization of Pullulan/ acrylamide hydrogels Synthesis of Bimetallic Nanoparticles by reduction and displacement of Organometallic Precursor for use as electrode materials for Electro-Oxidation in Fuel Cell Electrochemistry Synthesis of Biologically Active Epiboxidine Analogues via Reductive Heck Reactions Nickel(II) chelates derived from acetylacetone S-methyl-thiosemicarbazone

Özgün Akdağ, H. Yasemin Yenilmez, A. Mert Sevim, Zehra Altuntaş Bayır Gülşen Türkoğlu, Halil Berber Murat Emrah Maviş, Feray Aydogan, Cigdem Yolacan Serhat Gündüz, Anthony Power, Nikos K. Logothetis, Nikos K. Logothetis, Goran Angelovski Hakan Aslan, Deniz Ebru Akpınar, Mehtap Yakut, Oğuzhan Alagöz, Atilla Öktemer Ömer Tahir Günkara, Bilgesu Onur Sucu, Nüket Öcal, Dieter Eckhard Kaufmann Miroslav Mrlík, Marketa Ilcíková, Vladimír Pavlínek, Jaroslav Mosnácek

2nd Day / 12.08.2013 / Monday

802

Yeliz Kaya, Ayşe Erçağ İlke Şimşek Turan, Fatma Pir Çakmak, Deniz Cansen Yıldırım, Rengül Atalay, Engin U. Akkaya, Engin U. Akkaya Özlem Ipsiz, Ibrahim Özçeşmeci, Ayfer Kalkan Burat, Zehra Altuntaş Bayır Petra Vasko, Jari Konu, Heikki M. Tuononen Selda Kuzu, Emriye Ay, Pınar Özdemir, Nilgün Yenil Mehmet Nebioğlu, Barış Seçkin Arslan, Merve Keskin Hilal Zengin, Ayfer Kalkan Burat, Zehra Altuntaş Bayır Hilal Zengin, Ibrahim Özçeşmeci, Ayfer Kalkan Burat, Zehra Altuntaş Bayır Gökhan Ceyhan, Savaş Purtaş, Muhammet Köse, Mehmet Tümer, Vickie Mckee Gökhan Ceyhan, Savaş Purtaş, Muhammet Köse, Mehmet Tümer, Vickie Mckee Hamza Adıgüzel, Savaş Purtaş, Mahmut İncesu, Serhan Uruş, Gökhan Ceyhan, Mehmet Tümer Mahmut İncesu, Savaş Purtaş, Hamza Adıgüzel, Serhan Uruş, Gökhan Ceyhan, Mehmet Tümer Seyed Emad Talasaz Valenzuela Garcia Alma, Ramirez Meneses Esther, Arturo Manzo Robledo

POSTER SESSION - I

P-0105

İrem Kulu, Nüket Ocal Büşra Kaya, Bahri Ülküseven

55


P-0128

1096

P-0129

1129

P-0130

1137

P-0131

1139

P-0132

1142

P-0133

1145

P-0134

1146

P-0135

1147

P-0136

1148

P-0137

1186

P-0138

1202

P-0139

1210

P-0140

1214

P-0141

1228

P-0142

1229

P-0143

1237

P-0144

1262

P-0145

1265

P-0146

1295

P-0147

1298

P-0148

1304

P-0149

1306

P-0150

1310

P-0151 P-0152

1312 1333

P-0153

1343

A Strategy for Lowering Li-Source Dosage in Solvothermal Synthesis of LiMnO2 Synthesis and Properties of Non-peripheral and Peripheral Substituted Phthalocyanines Bearing Pyrene Groups Synthesis And Characterization Of Nonperipheral Terminalalkynyl Substituted Phthalocyanines And Their Glycoconjugation Via Click Chemistry Boronic esters of phthalonitrile and metal freephthalocyanine including solketal groups Synthesis and characterization of novel palladium phthalocyanines New Soluble Phthalocyanines Functionalized with Solketal Groups Alpha-Naphtholbenzein Substituted Phthalocyanines Application of Ultrasonication for Precipitation of Calcium Carbonate Synthesis of Planar-Chiral para-Substituted Paracyclophanes by Double Suzuki Coupling Determination of Anticancer Activity and Mechanism of Action of Several New Quinoline Compounds Reactions of some pyrimidine derivatives with chloroacetylchloride A Comparative Study of Lanthanide-galactitol complexes: X-ray crystal structures of galactitolbridged bi- and polymetallics Fluophore Group Attached Gemini Mono and Bis-Type Phthalocyanines for Multi Purposes Synthesis of Chitosan Derivatives and Their Possible Biochemical Applications Synthesis, structural aspects, antimicrobial activity and ion transportation investigations of four new [1 + 1] condensed 12 membered cyclophane amides synthesis of dihydrofuran-carboxamides by radical addition of 1,3-dicarbonyl to unsaturated amides using manganese(III) acetate Synthesis and Reactions of 4-Benzoyl-1-(2,4dinitrophenyl)-5-phenyl-1H-pyrazole-3carboxylic acid chlorides with Various Semi- and Thiosemicarbazides Derivatives Design, Synthesis and characterisation 1,3,5-trisubstituted pyrazolines of Some novel Chalcone with semicarbazide derivatives Synthesis of Star Polymers with Phthalocyanine Core Via Click Chemistry Tridentate Ligands Derived from Amino Sugar Derivative for the Cu(II) Mediated Asymmetric Henry Reaction Asymmetrical Phthalocyanine-Single Wall Carbon Nanotube Hybrid Materials: Synthesis, Characterizations and Liquid Crystalline Properties Synthesis and Characterization of Waterborne Polyurethane/Acrylic/Silica Hybrid Emulsions The synthesis Of N-substitued 2,5-dimethyl pyrrole-chalcone hybrids and investigation of their antimicrobial effects Chemical synthesis Synthesis of Bauhiniastatins and related derivatives Graft copolymerization of bis(2-methacryloyl oxyethyl)acid phosphate (BAP) onto chitosan

Yi He, Qi Feng, Xiaojing Yang Serdar Sürgün, Yasin Arslanoğlu, Esin Hamuryudan Zeliha Kanat, Hatice Dincer Ibrahim Özçeşmeci, Ahmet Gül Ibrahim Özçeşmeci, Ahmet Gül Mukaddes Özçeşmeci, Esin Hamuryudan Mukaddes Özçeşmeci Semra Kirboga, Mualla Öner Murat Çakıcı, Stefan Bräse Tuğba Kul Köprülü, Salih Ökten, Seda Duman, Şaban Tekin, Osman Çakmak Zülbiye Önal, Zeynep Çimen, İlhan Özer İlhan, Güzin Aslan, Esra Yalçın Candyce Clarke, Richard Betz, Eric Hosten, Abubakr Abrahams Emre Güzel, Sevgi Güney, Mehmet Kandaz Nazli Boke Sarikahya, Yavuz Ergun, Suheyla Kirmizigul Naz Mohammed Atabay, Mustafa Ulvi Gürbüz, Murat Türkyılmaz, H.r. Ferhat Karabulut Mehmet Yilmaz, Aslı Ustalar, Tarık Pekel Nazenin Akın, İlhan Özer İlhan, Zülbiye Önal, Feyza Tınmaz, Mehmet Çadır Nazenin Akın, İlhan Özer İlhan, Mehmet Çadır, Feyza Tınmaz Betul Nur Sen, Hatice Dinçer, Humeyra Mert, Sinem Bayraktar Fatma Çetin Telli, Sevda Alkan, Yeşim Salman, Stephen Thomas Astley İrem Kulu, Esra Nur Kaya, Sinem Tuncel, Mahmut Durmuş, Tamara Basova, Ayşe Gül Gürek, Vefa Ahsen Hande Savaş Hatice Buldu Burcu Bozdoğan David Ricardo R. Moreno Da Costa, Ricardo Alfredo Tapia, Cristian Osvaldo Salas Zirar M. Taher, Zulal Yalinca, Elvan Yilmaz

P-0155

1382

P-0156

1384

P-0157

1389

P-0158

1403

P-0159

1408

P-0160

1409

P-0161

1412

P-0162

1414

P-0163

1448

P-0164

1454

P-0165

1457

P-0166

1458

P-0167

1468

P-0168

1480

P-0169

1487

P-0170

1490

P-0171

1501

P-0172

1504

P-0173

1523

P-0174

1550

P-0175

1571

P-0176

1621

P-0177

1625

P-0178

1634

P-0179

1636

P-0180

1668

Metal Sensitive Functional Mono Phthalocyanines; Synthesis, Characterization, Spectroscopy and their Fluorescence Properties Photophysical, photochemical and photosensitizing properties of phthalocyaninebodipy conjugates Syntheses and Properties of New Organic Materials Having Donor-Acceptor (D-A) Units for Electronics and Optoelectronics Applications Synthesis & characterization of a new air and water stable radical ligand and its metal complexes Synthesis and Application of (S)-Acetal Hydroperoxides as Chiral Oxidants for the Asymmetric Epoxıdatıon of Allylic Alcohols Syntheses of Metal Complexes of Bodipy-Dota Dyads Asymmetric Henry Reaction of Aromatic Aldehydes Catalyzed by Bisphenol-A Based Ligands-Copper Complex Microwave-Assisted Organocatalytic Cross-Aldol Condensation of Aldehydes Catalytic Asymmetric Henry Reaction Catalyzed by Bisphenol-A Based Ligands-Copper Complex Preparation and Fluorescent Properties of Substituted 7,8- Dioxa[6]Helicenes Preperation of Side Chain Reactive α,ω-Telechelic RAFT Polymers Triflate promoted one-pot synthesis of dihydropyridine derivatives trough Hantzsch reaction Synthesis, Characterization, and Cytotoxic Potential of a Novel Modified Poly(maleic anhydride-co-vinyl acetate) / Miltefosine Couple Tetra bodipy substituted zinc phthalocyanines: synthesis and photodynamic therapy properties Bromination of Benz[f]indene: Synthesis of New Benz[f]indane Derivatives Copper(I) and Ruthenium(II) dyes for Dye Sensitized Solar Cells Effective synthesis of bioactive nitro- and cyanoquinoline derivatives Catalysis in Synthesis: Activating CO2, C–H, and C–O Bonds with Transition Metals and Hydrogen Bonding with Chiral Ureas 3D→3D Interpenetrated Metal-Organic Framework Constructed From Thiophene2,5-Dicarboxylate And Flexible Bis(2Methylimidazole) Ligands Synthesis and Investigation of Novel Thiosubstituted Quinones Ultrasound Promoted One-Pot Three-Component Synthesis of Aminonaphthols And Aminoalkyl Naphthols Synthesıs Of Nitro Aromatic Amıde Compounds For Nitroreductase Based Cancer Therapy The Synthesis of Unsymmetrical bis-Boranil Complexes and Their Optical Properties Reductive Amination of Carbonyl Compounds in Water as Solvent and Hydrogen Source synthesis and applications of a novel carborane based conjugated polymeric material synthesis and properties of a novel luminescent material Synthesis, Characterization, DNA Binding and Cleavage Properties and Cytotoxic Activity of Binary and Ternary Copper(II) Complexes with 5-Nitro-1,10-phenanthroline and L-Tyrosine

Emre Güzel, Ahmet Aytekin, Meryem Nilüfer Yaraşır, Mehmet Kandaz, Orhan Güney Hülya Yanık, Serkan Yeşilot, Mahmut Durmuş Emine Billur Sevinis, Turan Ozturk Ian S Morgan, Mikko Hänninen, Heikki Tuononen Erbay Kalay, Saffet Çelik, Ayşenur Yılmaz, Hamdullah Kılıç Serkan Karakaya, Fatih Algi Engin Şahin, Halide Sedef Özdemir, Hamdullah Kılıç

2nd Day / 12.08.2013 / Monday

1355

Dimitrios Limnios, Christofors G Kokotos Halide Sedef Özdemir, Engin Şahin, Hamdullah Kılıç Burcu Karaca, Volkan Kumbaracı, Naciye Talınlı Mehmet Arslan, Duygu Aydin, Rana Sanyal, Amitav Sanyal Zuhal Turgut, Kadir Turhan, Emel Pelit, İlyaz Çetin, Yağmur Sencer Gulderen Karakus, Zubeyda Akin Polat Mustafa Malkoç, Serkan Yeşilot, Mahmut Durmuş Makbule Yılmaz, Ahmet Tutar, Ramazan Erenler Antigoni Margariti, Dimitrios Sokalis, Evgenia Kolovou, Athanasios Filippopoulos Salih Ökten, Osman Çakmak Charles S Yeung, Vy M Dong, Eric N Jacobsen Hakan Erer, Okan Zafer Yeşilel, Mürsel Arıcı, Orhan Büyükgüngör Zeliha Özsoy Güneş, Cemil Ibiş Emel Pelit, Zuhal Turgut, Kadir Turhan Tuğba Güngör, Ferah Cömert Önder, Mehmet Ay, Ayhan Çelik, Gülden Yetiş Büşra Kahraman, Samet Yuvayapan, Ayse Daut Özdemir Bilal Nişancı, Matt Bere, Bela Török

POSTER SESSION - I

P-0154

Aykut Yoldas, Atilla Cihaner, Fatih Algı Memduh Bilmez, Serkan Karakaya, Fatih Algı Duygu İnci, Rahmiye Aydın, Hasene Mutlu Gençkal, Nilüfer Çinkılıç, Dilek Yılmaz, Özgür Vatan, Yunus Zorlu 57


P-0181

2952

Synthesis of Nıtro Aromatic Sulfonamide Compounds for Nıtroreductase Based Cancer Therapy

Tuğba Güngör, Ferah Cömert Önder, Mehmet Ay, Ayhan Çelik, Gülden Aşçı Yetiş

Physical Chemistry / PC-P-01 Pub. No. P-0182

Abstract no: 148

P-0183

162

P-0184

164

P-0185

182

P-0186

267

P-0187

315

P-0188

316

P-0189

336

P-0190

349

P-0191

351

P-0192

354

P-0193

366

P-0194

401

P-0195

428

P-0196

556

P-0197

563

P-0198

595

P-0199

714

P-0200

726

P-0201

743

Title

Authors

Enhancing The Performance of Organic ThinFilm-Transistor Au/P3HT/(Bilayer Dielectrics)/Si by Bonding Gold Nanoparticles to P3HT Synthesis and characterization of JBW structure and its thermal transformation Mechanism of Reduction of Tertiary Phosphine Oxides by Means of Phenylsilane: an Theoretical and Experimental Study Critical surfaces of LLE in systems with esterification reaction under polythermal conditions Determination of optimum condition for dissolution of tincal in phosphoric acid solutions Density and Speed of Sound of Binary Mixtures of Diethyl Adipate + Methanol at Different Temperatures and Atmospheric Pressure Excess Gibbs Energy of Activation of Binary Mixtures of (Acetonitrile + Glycols) at Different Temperatures Volumetric properties of biodiesl and decane formaulations

Raymond Chien Chao Tsiang, Mon Chi Wong

Valorization of Fischer-Tropsch Derived Oxygenates Carbonaceous Supports for Fe-O, Ce-O, Ti-O and La-Mn-O Dispersed Catalysts for Dehydrogenation and Consecutive Bimolecular Condensations of Primary Alcohols Amphiphilic cationic porphyrins: photophysical and photochemical properties of their manganese and cobalt complexes Photoexcitation Dynamics of N3- -Ligated Ferric Myoglobin Probed by Femtosecond Vibrational Spectroscopy Spectroscopic Identification of Isomeric JetCooled Benzyl-type Radicals Generated from 4-Fluoro-o-Xylene Microwave Assisted Synthesis, Characterization of Thermo-Responsive Poly(vinyl alcohol)-g-Poly(NIsopropylacrylamide) Copolymer and Its Usage in Pervaporation Interactions of thionine with anionic and binary mixed anionic-nonionic surfactant systems: hydrophobicity and synergism effect The frontier molecular orbitals and the higher energy occupied molecular orbitals of acylphloroglucinols Comparison of replicated isotopic-composition assays and of thermal analyses results Hexavalent Chromium Adsorption on Superparamagnetic Multi-wall Carbon Nanotubes Composites Effects of Hydrothermal Preparation Conditions of TiO2 Nanorod Film on the Photocatalytic Activity In Silico Investigation of Four Silver(I) Coordination Polymers Constructed from 4-Amino-1,2,4-Triazole and Different Carboxylate-Containing Ligands

Samia A Kosa, Eman Z Hegazy, Islam H Abdelmaksod Oleg M. Demchuk, Radomir Jasinski, M. Kubik, K. Michal Pietrusiewicz Maya Trofimova, Maria Toikka, Aleksandra Golikova Halil Durak, Yaşar Genel, Tevfik Aysu Ricardo Belchior Tôrres, Roberta Albino Dos Reis Ricardo Belchior Tôrres, Mariana Rosa Mille Abel Zúñiga Moreno, Edith Ramírez Reyes, María E. Manríquez Ramírez, Gonzalo Hernández Cortez Roman Klimkiewicz, Natalia Miniajluk, Sylwia Hull, Janusz Trawczynski Aleksandra Cyganiuk, Andrzej Olejniczak, Anna Kucinska, Jerzy P. Lukaszewicz, Roman Klimkiewicz Ivan Habus, Melinda A Fodor, Otto Horvath, Lajos Fodor Manho Lim, Taegon Lee, Jooyoung Kim Youngwook Yoon, Sangkuk Lee Fatma Kurşun, Nuran Işıklan

Sinem Gokturk, Güneş Keskin Liliana Mammino, Tendamudzimu Tshiwawa Peter P. M. Steur, Inseok Yang, Jin Seog Kim, Tohru Nakano, Franco Pavese Şahika Sena Bayazit, Özge Kerkez Özge Kerkez, Ismail Boz Fatma Aksakal, Yunus Zorlu, Hatice Can

759

P-0203

784

P-0204

815

P-0205

833

P-0206

838

P-0207

843

P-0208

1002

P-0209

1053

P-0210

1160

P-0211

2584

P-0212

2687

P-0213

1085

P-0230

933

P-0220

249

P-0223

506

P-0226

616

Accurate prediction of enthalpy of formation of nitro compounds by quantum chemical calculations Reactivities of Mixed Organozinc Reagents and Comparison of the Transfer Rate of the Same Group in Allylation of Mixed and Homo Diorganozinc Reagents DFT Study of Anion-π and Halogen Bond Interactions in the Context of Anion Transport Catalytic dehydrocoupling/dehydrogenation of dimethylamine-borane with metal organic framework stabilized Pd nanoparticles Investigation of Tribochemical Interaction between Polytetrafluoroethylene and SiO2/Si Surfaces: Wettability A Molecular Dynamics Analysis of Human Blood Coagulation Factor IX and two Mutations: A68T & G136V The Use of DFT Descriptors for Prediction of the Photocatalytic Degradation Mechanism of Azo Dyes on TiO2 Solubilization of poorly soluble organic pesticide thiram by micellization Adsorptive Removal of Congo Red From Aqueous Solution by Using A Synthetic Resin Vibrational Frequencies and Normal Modes Analysıs of Glycylglycylleucine as Part Of Spider Silk Protein Vibrational Analysis of Glycylglycyltyrosine as a Part of Spider Silk Protein A theoretical descriptor for the bond-dissociation energy (BDE) of substituted phenols Electropolymerization of Some Azo-Dyes on Modified Carbon Paste Electrode in Single, Binary and Ternary Solutions A New Approache For The Determination Of Thermodynamic Functions Of Adsorption Of A Number Of Azo Dyes On Local Bentonite Thermodynamic study on some alkanediol solutions: measurement and modeling New phenomenon – oscillations synergism in the alkynes carbonylation homogeneous reactions

Marina Alexandrovna Suntsova, Dorofeeva Vitalievna Olga Melike Kalkan, Ender Erdik

Daniel Emery, Cesar Beuchat, Jiri Mareda Halil Durak, Mehmet Zahmakıran Ahmet Ucar, Mehmet Copuroglu, Sefik Suzer Nelson David Arias Olivares, Luis Carlos García Sánchez Zekiye Cinar, Nazli Umit Turkten

2nd Day / 12.08.2013 / Monday

P-0202

Hanife Bilgiç, Sinem Gokturk, Emel Akyol Nevim San, Sevil Yaşar Eynur, Dila Metinyurt Hatice Ari, Talat Özpozan Hatice Ari, Talat Özpozan Marcos Caroli Rezende, Carolina Aliaga Sinem Ortaboy, Elif Türker Acar, Gülten Atun Emad Abdulilah Salih Al Hyali, Aiman S. M. T. Shndala Abbasali Rostami, Mehrdad Moosavi, Ahmad Motahari, Abdollah Omrani Sergey Nikolaevich Gorodsky

Pub. No. P-0235

Abstract no: 522

P-0236

24

P-1183

2458

P-0237

28

P-0240

489

P-0241

492

P-0242

588

Title

Authors

Transition from Nanorod to Nanotube with Poly(vinylidene trifluoroethylene) Ferroelectric Nanofiber Synthesis and characterization of multiwallcarbon nanotubes decorated with nickel ferrite hybrid Polyaniline (PANI)–Co0.5Mn0.5Fe2O4 nanocomposite: Synthesis, characterization and magnetic properties evaluation Synthesis and characterization of a new supramolecular square via self-assembly Lyotropic liquid crystalline acids: H3PO4C12EO10 mesophases Synthesis, Characterization, Photocatalytic Activity of Visible-Light-Responsive Photocatalysts BiOxBry/BiOmIn by Controlled Hydrothermal Method Synthesis and characterisation of a new type of cation-exchange polymeric microspheres

Kiwoon Choi, Se Cheol Lee, Yongri Liang, Kap Jin Kim, Han Sup Lee Ayse Demir, Umran Kurtan, Abdulhadi Baykal, Bayram Unal, Huseyin Sozeri, Mehmet Senel Ayse Demir, Umran Kurtan, Abdulhadi Baykal, Huseyin Sozeri, Ramazan Topkaya, Muhammet Sadaka Toprak, Muhammet Sadaka Toprak Paulo Cesar Torres, Cristian Andres Cano, Alvaro Duarte Ebrima Tunkara, Cemal Albayrak, Gözde Barım, Ömer Dağ Chiing Chang Chen, Yu Rou Jiang

POSTER SESSION - I

Macro and Nano Science and Technology / MNST-P-01

Beata Podkoscielna, Andrzej Bartnicki, Barbara Gawdzik 59

2nd Day / 12.08.2013 / Monday

P-0243

590

P-0244

625

P-0245

651

P-0246

674

P-0248

723

P-0249

807

P-0250

861

P-0252

884

P-0253

893

P-0254

896

P-0255

931

P-0256

934

P-0257

987

P-0258

1061

P-0259

1072

P-0262

384

Characterization and properties of the new photoluminescent copolymers dimethacrylate derivatives of naphthalene-2,7-diol Recoverable Solid Supported Catalyst Complex for ATRP Short- and Long-Term Thermal Properties of Plasticized PLA Composites Sub-10-nm Block Copolymer Self-assembly Patterns for the Graphene Nano-Ribbon Array Field Effect Transistors Films of liquid crystalline phthalocyanines and their composites with single-walled carbon nanotubes: properties and alignment Template Synthesis, Characterization and Investigation of Electrochromic Properties of Poly(3,4- Ethylenedioxythiophene) (PEDOT) Sol-gel Transition of PLA-PEG-PLA Tri-block Copolymer Aqueous Solutions As Studied By SAXS Functionalized Soft Nanopores for Improving Sensing of Bionanoparticles Stability of Polyaniline Prepared in Water-Etanol Mixture The Oxidation of Aniline to Aniline Oligomers and Polyaniline Magnetic Nanoparticle Included Biodegradable Smart Hydrogel UV Curable Carbon Nanotube Containing Nanocomposite Coatings Fabrication and Characterization of SiO2/ (3-aminopropyl) triethoxysilane-Coated Magnetite Nanoparticles for Lead (II) Removal from Aqueous Solution The Preparation of Cu and Pd Nanoparticles supported on MW-CNT Using a Supercritical CO2 Deposition Method Multiarm Polymers as Drug Delivery Agents Zinc(II) modified carbon paste electrodes based on self-assembled mercapto compounds-goldnanoparticles for its determination in water samples

Beata Podkoscielna Eren Elik, Metin Hayri Acar Mehmet Kodal, Hümeyra Şirin, Güralp Özkoç Jeong Gon Son, Myoungwoo Son, Moon Ho Ham, Caroline A. Ross Aseel Hassan, Tamara Basova, Hikmat Banimuslem, Aliye Esenpınar, Sinem Tuncel, Mahmut Durmus, Aysa Gul Gürek, Vefa Ahsen Esin Eren, Erdoğan Teke, Ayşegül Uygun Öksüz Hyun Hoon Song, Sun Gyu Tae, Hye Jin Jeon, Min Kwan Kang Li-Hsien Yeh Miroslava Trchova, Zuzana Moravkova, Jaroslav Stejskal Jaroslav Stejskal, Miroslava Trchova Tuğçe Biçer Kübra Ilgün Mansor Bin Ahmad, Mahnaz Mahdavi, Kamyar Shameli Fatma Ulusal, Bilgehan Güzel H. Betul Bingol, Tugce N. Gevrek, Aslı Erdog, Amitav Sanyal Tamer Awad Ali, E. M. S. Azzam, M. A. Hegazy, A. A. Abd El Aal

Green, Sustainable and Environmental Chemistry / GSEC-P-01

POSTER SESSION - I

Pub. No.

60

P-0276

Abstract no: 53

P-0277

296

P-0278

373

P-0279 P-0280

377 382

P-0281

403

P-0282

410

Title

Authors

Environmental Assessment of Heavy Metals Accumulation in the Near Shore and Typical Estuarine Environment in Davao City Adsorption/Desorption Characteristics Of Basic Organic Dyes On/From Montmorillonite And Investigation Of Competitive Adsorption Of These Organic Dyes Density of Soybean Oil, Epoxidized Soybean Oil and Acetic Acid Binary Mixtures Capabilities of Thai Bentonite Partitioning of Acetic Acid between Oil and Water Phase in a Reaction System of in situ Epoxidation of Soybean Oil Chemical absorption of carbon dioxide using aqueous hydrazines and hydrazides Prospective use of humic composite materials for soil efficiency improvement

Venchie C Badong, Kathleen B Bersabal Jülide Hizal Yücesoy, Pelin Demircivi, Rafet Bozdoğan Milovan Jankovic, Olga Govedarica, Snezana Sinadinovic-Fiser, Denitsa Yancheva Ladda Meesuk, Atchana Wongchaisuwat Milovan Jankovic, Olga Govedarica, Snezana Sinadinovic Fiser, Dejan Cokic Yeong Joon Kim, Jae Hee Song Aliya Sabirzhanovna Taubayeva, Umirzak Zhumasilovich Dzhusipbekov, Gulzipa Oryntaevna Nurgaliyeva

P-0284

498

P-0285

631

P-0286

664

P-0287

705

P-0288

741

P-0289

766

P-0290

805

P-0291

836

P-0293

905

P-0294

1016

P-0296

1119

P-0297

1141

P-0298

1144

P-0299

1181

P-0300

1192

P-0301

1197

P-0302

88

P-0303

99

P-0304

362

P-0305

391

P-0306

524

P-0307

611

P-0308

780

P-0309

899

P-0318

659

SCR of NO by Dimethyl Ether (DME) over Ag/Al2O3 Catalysts: Influence of Noble Metal Additives on Catalytic Performances Absolute Disinfection of Drinking Water using Green Nanostructured Biopolymers Kinetic Study On Green Conversion Of Citronellal To Menthol Over Sulfated- Zirconia/ Montmorillonite study of air quality parameters in indoor and outdoor air of Dhaka city Carbon-Based Nanomaterials in environmental pollution management Role of Cu and Pt in Supported Cu-Pt Catalysts for Reduction of N2O by H2 Converting food waste into chemicals, fuels and materials using green chemical methods Sorption Characterisation of HDTMA onto Vermiculite and Perlite Clays Preparation of Color Removing Chitosan Nanocomposites and Assessments on Adsorption Kinetics Removal of Gas-phase Surfur Compounds by Transition Metals-impregnated Activated Carbons Water-Soluble Anhydride Containing Alternating Copolymers as Scale Inhibitors CO2 Absorption Characteristics of Promoted K2CO3 aqueous solution: Specific Heat Capacity and Heat of Absorption BIOSORPTION OF REMAZOL YELLOW (RR) ON DRIED Saccharomyces cerevisiae IN BATCH SYSTEM Application of Isotherm and Kinetic Models to the Biosorption of Lead(II) from Aqueous Solution by Saccharomyces cerevisiae Studies on the salts effect on crystallinity of phosphonate metal organic framework Synthesis of Surface Active Agent from Crop Waste Lignin Green chemistry as basis of chemicals management for Russian enterprises Genoprotective and antioxidant activities of hydrolyzed and non-hydrolyzed extracts of Mimordica dioica, Citrullus colocynthus l. and Cucumis melo varagrestis Photoelectrocatalytic removal of Acid Red 88 Using Ni-TiO2 with the Energy Supplied by Solar Cell: Mechanism and Economical Studies thermodynamic analysis of clouding in mega 10/ triton x-100 mixtures Comparative evaluation of urease inhibitor to control urea losses Approach to fulfil the overcoming need to develop miniaturized sample preparation methods for the trace analysis of pesticides from biological matrices Ambient Air Quality in Islamabad, Pakistan: A Monitoring Based Analysis Use of microorganisms immobilized on graphite to remove lead from aqueous solution Catalystic Performance of Supported Pd Catalysts in Glycerol Hydrogenolysis Photochemical oxidation of antraquinonic dye, C.I. Acid Blue 25 in aqueous solution by UV/ K2S2O8 process

Masahide Shimokawabe, Wataru Tomishima, Kazuma Kamimura, Yu Yamamura, Masahiko Arai Idris Yazgan, Nian Du, Robert Congdon, Veronica Okello, Omowunmi A Sadik Is Fatimah, Dwiarso Rubiyanto, Thorikul Huda, Imam Sahroni, Basitoh Djaelani Mohd Nur E Alam Siddique, Ripon Singh, Mohammad Atifur Rahman, A M Shafiqul Alam Feza Geyikçi, Semra Çoruh, Murat Çömezoğlu Moon Hyeon Kim, Dae Hwan Kim Rafael Luque Pelin Demirçivi, Gülhayat Nasün Saygılı Ceren Zeynep Buminoglu, Nilgün Kızılcan

2nd Day / 12.08.2013 / Monday

462

Hee Chul Woo, Phuoc Hoang Ho, So Yun Lee, Woo Hyeong Kim, Suk Hee Lee Gizem Üner, Hatice Kaplan Can Yeoil Yoon, Sungchan Nam, Soonkwan Jeong, Youngeun Kim, Seongryul Park Fatma Duran, Ayşe Tosun, Mübeccel Ergun Fatma Duran, Neslihan Aydoğan, Ayşe Tosun, Mübeccel Ergun Aurelia Visa, Bianca Maranescu, Alexandra Bucur Burcu Kangal, Cüneyt Hüseyin Ünlü, Oya Atıcı Natalia Pavlovna Tarasova, Anna Sergeevna Makarova, Margarita Yurievna Shchukina Muhammad Yasir, Bushra Sultana

Azam Pirkarami, Mohammad Ebrahim Olya Naous Mohamed, Molina Bolivar Jose, Carnero Ruiz Cristobal Munazzah Meraj, Rao Irfan, Sadia Javed, Asad Meraj, Gulam Rassol Mashoori, M Daud Ali Alvi, Khalil Ur Rehman Rupender Kumari, Smita Panchal, Nasreen Ghazi Ansari, Devendra Kumar Patel, Ramesh Chandra Murthy Anjum Rasheed, Viney P. Aneja, Anantha Aiyyer, Uzaira Rafique Hassiba Mokaddem, Zahra Sadaoui, Farida Taguet, Nadia Boukhelata, Yahia Kaci, Naima Azouaou Yuming Li, Dehua He

POSTER SESSION - I

P-0283

Houria Ghodbane, Oualid Hamdaoui

61


Life Chemistry / LC-P-01 Pub. No. P-0324

Abstract no: 702

P-0325

777

P-0326

803

P-0327

808

P-0328

851

P-0329

907

P-0330

908

P-0331

916

P-0332

956

P-0333

967

P-0334

1011

P-0335

1013

P-0336

1018

P-0337

1034

P-0338

1036

P-0339

1038

P-0340

1040

P-0341

1042

P-0342

1044

P-0343

1069

P-0344

1070

P-0345

1107

Title

Authors

Synthesis of 8-Amino(acetamido)quinoline Derivatives and Their Antiproliferative Activities against Melanoma Cell Lines The Study of Secondary Metabolites from Burkhoderia cenocepacia An Ultrasensitive Impedimetric Biosensor For Detection of HER-3: Early Detection of Breast Carcinoma A Novel Biosensor System Using Disposable Indium Tin Oxide Coated Polyethylenterephthalate Electrode for the Detection of Retinol Binding Protein Protective effect of essential fatty acids against palmitic acid-induced impairment of glucose uptake involves both Akt and AMPK in C2C12 myotubes Inhibition of Lactoperoxidase with Sulfanilamide Derivatives effects of some pesticides on catalase enzyme and regeneration a new pH biosensor development for the determination of triglycerides Determination of Anticancer Activities and Mechanism of Action of A New Coordination Compound Containing AgI(CN)2 Profiling the chemical content of Chrysophthalmum montanum (DC.) BOISS leaves by GC-MS analyses The Protective Effect of Vitamin U on Serum Parameters in Amiodarone-Induced Hepatotoxicity in Rats Protective Effects of Antioxidants Against Indomethacin-Induced Kidney Injury in Rats Purification of Glucose-6-Phosphate Dehydrogenase from Hazelnut (Corylus maxima Miller) and Investigation Some Properties The Effects of Vitamin B6 on Lens Antioxidant System inValproic Acid Administered Rats Hepatoprotective Activity of Melatonin Against Aluminium-Induced Liver Injury in Rats A Comparative Assessment Of Urease Immobilization Using Magnetic Alginate Beads And Magnetic Chitosan Beads Studies Of Urease Immobilization Using Magnetic Alginate- Chitosan Composite Beads Optimization Of Urease Immobilization With TiO2 Microspheres And TiO2- Chitosan Microspheres Characterization Of Urease Immobilization With TiO2 Microspheres And TiO2 -Chitosan Microspheres Isoflavonoids as dual 5-LOX and COX-2 inhibitors: Pharmacophore analysis and structureactivity relationship Isoflavans as selective and potent human 5-LOX inhibitors

Kyung Ho Yoo, Eun Jeong Koh, Sang Gi Lee

Structures and Spectroscopic Properties of Peripherally and Nonperipherally Terminalalkynyl Substituted Phthalocyanines: A combined Theoretical and Experimental Investigation of Substitution Effect

Yeun Mun Choo Mehmet Çetin Canbaz, Ç. Sayikli Şimşek, M. Nur Sonuç, M. Kemal Sezgintürk Cigdem Sayikli Simsek, M. Nur Sonuç, M. Çetin Canbaz, M. Kemal Sezgintürk Hyeok Yil Kwon, So Yeon Park, Min Hye Kim, Joung Hoon Ahn, Soo Jin Lee, Dong Jin Kim Zeynep Köksal, Hasan Özdemir Hatice Palüzar, Ayten Sagiroglu Ayten Sagiroglu, Tuba Aydın Ali Aydin, Nesrin Korkmaz, Ahmet Karadag, Saban Tekin Fatih Çağlar Çelikezen, Murat Kürşat, Dilara Başat, Fatih Özoğul, Irfan Emre Ismet Burcu Turkyilmaz, Refiye Yanardag İsmet Burcu Türkyılmaz, Refiye Yanardag Bertan Boran Bayrak, Refiye Yanardag Sevim Tunalı Sevim Tunalı, Omur Karabulut Bulan, Guner Sarikaya Unal, Refiye Yanardag Yasemin Ispirli Doğaç, Mustafa Teke Yasemin Ispirli Doğaç, Mustafa Teke Yasemin Ispirli Doğaç, Ilyas Deveci, Mustafa Teke, Bedrettin Mercimek Yasemin Ispirli Doğaç, Ilyas Deveci, Mustafa Teke, Bedrettin Mercimek Victoria Espinosa, Carolina Mascayano, Silvia Sepulveda Boza, Theodore R Holman, Steve Perry, Eric K Hoobler Carolina Mascayano, Victoria Espinosa, Silvia Sepulveda Boza, Theodore R. Holman, Steve Perry, Eric K. Hooble Meral Arı, Adem Tekin, Hatice Dinçer

1132

P-0347

1168

P-0348

1169

P-0349

1203

P-0350

1230

P-0351

1240

P-0352

1257

P-0353

1301

P-0354

1302

P-0355

1477

P-0356

575

Protective Effects of All-Trans Retinoic Acid on Hyperoxia-Induced Hepatotoxicity in Mice A new class of potent inorganic compounds as inhibitors of PAF and thrombin. Correlation between inhibitory and anticancer activity Bismuth(III) sulfonates - Synthesis, structure and activity against H. pylori Role of all-trans retinoic acid administrations on nuclear factor-erythroid-2-related factor 2 activation and repair in kidney of hyperoxic mice Biologically Active Triterpene Glycosides from C. aristata Synthesis and in vitro Antimicrobial Activities of Novel 7-Substituted 3-Azabicyclo[3.3.0] octanylphenyl Oxazolidinone Derivatives Re(I) complexes with a quinoxaline derivative as a ligand: Synthesis, Characterization, DNA Binding and cytotoxicity studies Effect Of Seasonal Changes On Antioxidant Enzymes Of The Rainbow Trout (Oncorhynchus Mykiss Walbaum, 1792) Grown In Van City, Çatak District Synthesis and investigation acetylcholinesterase inhibition of quinoline derivatives attached aminoacid Synthesis and characterization of new Mannich bases derived from 4-(2-fluorophenyl)piperazine Isolation of Proteinous, Non-Proteneious Fractions From Phaseolus vulgaris and Vigna sinensis Fruits and Study Their Effects in Mice

Bertan Boran Bayrak, Fusun Oztay, Hale Ovet, Refiye Yanardag Antigoni Margariti, Athanasios Papakyriakou, Alexandros Tsoupras, Vassia Papaconstantinou, Georgios Stamatakis, Constantinos Demopoulos, Athanassios Philippopoulos Madleen Busse, Philip C. Andrews, Peter C. Junk, Richard L. Ferrero Fusun Oztay, Bertan Boran Bayrak, Ozgecan Kayalar, Oznur Yilmaz, Refiye Yanardag Nazli Boke Sarikahya, Suheyla Kirmizigul Gyochang Keum, Deepak Bhattarai, Soon Bang Kang, Eunice Eunkyeong Kim Michail Kaplanis, Zabelou Patinioti, Vaso Anagnostou, Georgia Roumelioti, Christiana Mitsopoulou, Maria Paravatou Petsotas İbrahim Yörük, Aslı Çilingir Yeltekin, İsa Cavidoğlu, Kamil Ekici

2nd Day / 12.08.2013 / Monday

P-0346

Elif Aynacı, Fatma Arslan, İffet Şakıyan, Nurşen Sarı Serap Basoglu, Serpil Demirci, Yıldız Uygun, Neslihan Demirbas, Ahmet Demirbas Nahidah Saeed Al-chalabi, Shihab Ahmad Yousif

Materials Science / MS-P-01

P-0370

Abstract no: 47

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110

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119

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Proton Conducting Electrolyte Membranes Based on Sulfonated Poly(arylene ether ketone)/ polyorganosiloxane Interpenetrating Polymer Networks Preparation of magnesium phthalocyanine catalysts by cotton fabric dyeing Influence Of Alkali Oxides Ca / Mg On The Structure Of A Glass-Ceramic Based On Sio2Al2o3-Cao-Mgo-Zro2-Tio2 Doped With 2% Zirconolite Sulfonated polystyrene/PTFE as proton exchange membrane for PEM fuel cell application Investigations of Thermal Oxidative Degradation Kinetics of PET, PE and PS Using Kissinger, Flynn-Wall-Ozawa and Coats-Redfern Methods Synthesis of N-vinyl pyrrolidone-co-acrylic acid Nanocomposite Sorbents and Investigation of Dye Adsorption and Mechanical Properties Synthesis of N-vinyl caprolactam-co-sodium methacrylate Microgels: Optimization of Synthesis Conditions Investigation of Coating Properties of Alkyd Resin Based Paint Binder Synthesized by Using Different Intermediates Obtained from Waste PET Synthesis of Chitosan-co-Itaconic Acid Copolymers and Their Applications for Removal of Dye and Cu(II) Ion from Aqueous Solutions Graphene-based Materials for Supercapacitor Electrodes High-resolution nitrogen and argon adsorption on two-dimensional zeolites

Dukjoon Kim

Ahmet Lütfi Uğur, Ali Erdoğmuş, Mehmet Arif Kaya Rafika Souag, Mohamed Hammadi

Tao Jiang, Shi Min Wang, Tian Jin Zhang Begüm Arda, Ayça Bal, Işıl Acar Aybüke Koç, Mehmet Koray Gök, Işıl Acar Bengi Özkahraman, Mehmet Koray Gök, Işıl Acar, Gamze Güçlü Esra Bulak, Işıl Acar

POSTER SESSION - I

Pub. No.

Gamze Güçlü, Arzu Torlakoğlu Dönmez Hardy Sze On Chan, Lu Mao, Kai Zhang, Jishan Wu Arnost Zukal, Jiri Cejka, Martin Kubu 63


P-0381

352

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389

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393

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478

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525

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529

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533

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544

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596

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603

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612

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672

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704

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810

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966

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850

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855

P-0400

858

P-0401

862

P-0402

863

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869

The Sol-Gel Autocombustion Method for the Preparation of Mn-Zn Ferrite Catalysts with the Desired Properties Photovoltaic cells are based on a heterojunction (either planar or bulk) between an electrondonating molecule (donor) and an electronaccepting molecule (acceptor). While planar heterojunction devices rely on diffusion of excitons to the donor-accep The Recent Developments in the Field of Macrodefect Free (MDF) Materials Localization of photo-catalytic reaction on the grain boundary of bi-crystalline TiO2 Synthesis and Structure of a CoO-ZnO(PO4) (NH3–CH2CH2NH3) Sulfonate Functionalized Zwitterionic Imidazolium Ionic Liquid Crystals Incorporation of Flat Aromatic Units to Improve Hole Mobility in Conjugated Polymers for Organic Solar Cells Preparation of Electrically Conductive Cotton Fibers by Poly(ethyleneimine) Treatment and Electroless Plating of Copper Sulfide Nontoxic thermoelectric materials of Sr0.9zCa0.1Si2 improved by Sr-vacancy Fabrication And Characterization Of Antimicrobial Nanofiber Webs From Binary Pva/ Oda-Mmt/Silver Nanoparticle And Poly(Ma-Alt1-Octadecene)-G-Pla Blend System By E-Spun Method Core-shell structures constructed from coordination polymers Use of peptide nanostructures to construct functional artificial ion channels Improved compressive strength of poly(pphenylene benzobisoxazole) copolymer fiber containing multi-functional comonomer Thermoelectric performance improved by Ge substitutition in SrSi2 Chain Coordination Polymers Of Bridging Cyanidometalates [Ag(Pph3)2] Chromophores: Structure, Luminescence And Theory Annealing-Free Fabrication of Anatase TiO2 Nanopopcorns on Ti Foil for Photovoltaic and Photocatalytic Applications Characterization of a Novel Acid Activated Stem Tea/Rhodamine B composite material (AAST/ Rh-B) Spectroscopic characterization of a clay-based dye nano-composite material New Self-Assembling Brush Glycopolymers Development of a Protic Polymer Electrolyte for Fuel Cell using Ionic Liquid-type Polymer Preperations of New Sugar Based Acrylic Polymers Synthesis and characterization of citronellol and nerol linear diesters Physico-chemical and biological characterization of block glycopolymers obtained by chemical modification New Metallomesogens of Cobalt Complexes with 3,4,5-trialkoxybenzoate Ligand

Katarzyna Winiarska, Irena Szczygiel, Roman Klimkiewicz Raymond Chien Chao Tsiang, Yu Wei Su

Milan Drabik, Lubica Galikova, Gunther Maier, Barbara Kosednar Legenstein Masayuki Kamei Abel Zúñiga Moreno, Ignacio Reyes, María E. Manríquez Ramírez, Ricardo Gomez, José G. Hernández Cortez, Carmen M. Reza Sangerman Joseph C. Y. Lin, Rohini Rondla, C. T. Yang, Ivan J.b. Lin Do Hoon Hwang, Ji Hoon Kim, Hee Un Kim Young Ho Kim, Yae Won Kim, Hyeon Tae Cho Chin Shan Lue, Y. S. Tseng, J. Y. Huang, H. L. Hsieh, Yung Kang Kuo Nilüfer Nagizade, Zakir M.o. Rzayev, Esra Karaca, Demet Erdönmez, Necdet Sağlam

Hee Jung Lee, Won Cho, Moonhyun Oh François Otis, Charles Racine Berthiaume, Mathieu Arseneault, Normand Voyer Kwanhan Yoon, Byungghil Min, Younggyu Jeong, Gihyun Jang Chia Nung Kuo, C. S. Lue, J. Y. Huang, H. L. Hsieh, Y. K. Kuo Ali M Alsalme, Mohammed H Jaafar, Sebastiaan Akerboom, Khalid Al Farhan, Mohamed Ghazzali, Jan Reedijk Jong Yeob Kim, Yeonho Kim, Dae Ki Lee, Wan In Lee, Du Jeon Jang Ömer Sungur, Mehmet Kaya, Ahmet Tabak Mehmet Kaya, Ömer Sungur, Ahmet Tabak, Yavuz Onganer Heesoo Kim, Jin Chul Kim, Yecheol Rho, Gahee Kim, Mihee Kim, Ik Jung Kim, Jung Ran Kim Takashi Morinaga, Saika Honma, Takaya Sato, Kohji Ohno, Yoshinobu Tsujii Meryem Koruyucu, Fehmi Saltan, Gökhan Kök, Hakan Akat, Yeşim Salman Barbara Gawdzik Manuel Sanchez Chaves, Marta Fernandez Garcia, Maria L Cerrada, Alexandra Muñoz Bonilla, Juan Rodriguez Hernandez, Orietta Leon Wen Jwu Wang

Synthesis and Properties of Copolymer using triphenylamine containing inorganic derivative as triphenyl silicon with diketopyrrolopyrrole for Organic Solar Cells Poly(ε-caprolactone) / High Density Polyethylene Blends: Characterization and Transport Properties Synthesis and characterization of 2D-D-π-AType Organic Dyes Bearing Bis(3,6-di-tertbutylcarbazol-9-ylphenyl)aniline as Donor Moiety for Dye- Sensitized Solar Cells

P-0405

880

P-0406

881

P-0407

886

Crystalline behavior of glycopolymers with gluconolactone pendant groups

P-0408

887

P-0409

901

P-0410

923

P-0411

929

P-0413

976

P-0414

981

P-0415

1017

P-0416

1028

P-0417

1033

P-0418

1039

P-0419

1082

P-0420

1094

Polymers with thiazole and triazole pendant groups for antimicrobial applications Synthesis and Characterization of Polysulfone/ POSS Hybrid Networks by Photoinduced Crosslinking Polymerization Reduction of graphene oxide during grafting of polystyrene from its surface Adsorption of PolyVinyl Alcohol onto steel surface: consequence on the scale formation during PVC synthesis Synthesis and Characterization of Polythiophene Copolymers Posessing Poly(N-isopropyl acrylamide), Poly(ethylene glycol) and Polypeptide Side Chains One Step Synthesis of Hydrogels with Clickable Moieties by Photopolymerization Investigation of Thermal, Mechanical and Morphological Properties of Polyimide-Titania Nanohybrid Films The Preparation of Phenolic Based Nanocomposites and Applications Functionalized silica nano particles and their effect on rheology of colloidal dispersions Explaining Shear Thickening Behavior for colloidal suspensions Structural Characterization of New Polyfunctional Metal Organic Materials Hybrid Materials by Intercalation of Asymmetric Zn,Zn; Cu,Cu; ZnCu Macrocyclic Complexes in Layered Thiophosphate Hosts

P-0421

1115

P-0422

1131

P-0423

1623

P-0424

1134

P-0425

1135

P-0426

1151

P-0427

1152

Temperature Effect on the Location of a Weakly Segregated Block Copolymer in Binary Blends of Block Copolymers The Influence of the Chiral Moiety and Direction of the Carboxyl Connecting Groups on Mesomorphism Synthesis and Characterization of a Poly(butadiendiol) Based Side Chain Liquid Crystalline Polymer 4-Cyanoresorcinol Based Bent-Core Mesogens with Broad Chiral Nematic Phase Range The Chiral Rod-Shaped Molecules with Fluorocarbon Segments Hydrated Cements And Calcium-SilicateAluminate Hydrates; From Thermoanalytical Events Towards Enthalpies The adverse effect of polar groups on Aggregation Induced Emission feature in aqueous media: Highly fluorescent Nonpolar TPE-BOD couples in aqueous media

Hsieh Kuo Huang, Sun Hsiang Yao, Chuang Pei Yu, Leung Man Kit Enrique Blázquez Blázquez, Vicente Lorenzo, Maria L Cerrada Tanika Khanasa, Nittaya Jantasing, Somphob Morada, Nararak Leesakul, Ruangchai Tarsang, Supawadee Namuangruk, Tinnagon Kaewin, Siriporn Jungsuttiwong, Taweesak Sudyoadsuk, Vinich Promarak Manuel Sanchez Chaves, Marta Fernandez Garcia, Maria Cerrada, Alexandra Muñoz Bonilla, Vanesa Bordege, Orietta Leon, Rocio Cuervo Rodriguez Marta Fernández-García, Ruben Tejero, Daniel López Mehmet Atilla Tasdelen, Cemil Dizman, Tamer Uyar, Yusuf Yagci

2nd Day / 12.08.2013 / Monday

871

Marketa Ilcikova, Jaroslav Mosnacek, Miroslav Mrlik, Matej Micusik, Zdenko Spitalsky Julien Huser, Sophie Bistac, Christelle Dealite, Thierry Lasuye, Bernard Stasik Huseyin Akbulut, Yusuf Yağcı, Takeshi Endo, Suna Timur Elyesa Murtezi, Mustafa Çiftçi, Yusuf Yağci Canan Kızılkaya, Merve Biçen, Sevim Karataş, Nilhan Kayaman Apohan, Atilla Güngör Onur Mükrime Balcı, Tülin Banu İyim Aslıhan Örüm, Yusuf Ziya Menceloğlu, Mehmet Yıldız Aslıhan Örüm, Yusuf Ziya Menceloğlu, Mehmet Yıldız Bianca Baldo, Veronica Paredes Garcia, Diego Venegas Yazigi, Evgenia Spodine Pablo Fuentealba, Lorenzo Serón, Camila Sánchez, Pedro Montero, Jorge Manzur, Verónica Paredes García, Diego Venegas Yazigi, Evgenia Spodine Sang Byung Park, Jung Guk Ha, Wang Cheol Zin Dilek Güzeller, Hale Ocak, Belkız Bilgin Eran Dilek Güzeller, Hale Ocak, Belkız Bilgin Eran, Hüseyin Yıldırım, Hilal Mert, Burcu Kekevi Sevgi Nuray, Hale Ocak, Belkız Bilgin Eran Gürkan Karanlık, Dilek Güzeller, Hale Ocak, Belkız Bilgin Eran Milan Drabik, Lubica Galikova, Eva Spyrkova, Eva Scholtzova

POSTER SESSION - I

P-0404

Sevilay Öztürk, Serdar Atılgan

65

2nd Day / 12.08.2013 / Monday

P-0428

1162

Kinetic Parameters Effect on Stereoregularity of N-Substituted Amides Copolymers

P-0429

1187

P-0430

1196

P-0431

1221

Novel Membranes Based on Poly(5(methacrylamido)tetrazole) and Sulfonated Polysulfone for Proton Exchange Membrane Fuel Cells Photogeneration of silver nanoparticles in monomer combinations containing fluoresceinyl urea units Crosslinked Polymer Gels Based on Alkoxysilanes

P-0432

1224

P-0433

2399

P-0434

1364

P-0435

258

P-0436

680

P-0437

117

P-0438

180

P-0441

277

P-0449

515

Synthesis, Characterization and Swelling Properties of New Organogels Preparation and photoluminescence of transparent YVO4:Eu3+ nanophosphor layer New Unsymmetrical Bent-Core Mesogens Derived from 3-Hydroxybenzoic Acid Effect Of La Doping On Physical And Electrochemical Properties Of Double Perovskite Sr2femoo6 Oxide Indirect oxidation of ethlene glycol on Bi2Ru2O7 oxide Electrical and impedance spectral characterization on organic semiconductors devices as M1metallophtalocyanines-M2 Synthesis, characterization and structural study of compounds based on asymmetric ligands Heat regulated synthesis of ibuprofen-gold porous nanoflowers

Anca Dibla, Ana Maria Albu, Ana Maria Albu, Alina Nicolescu, Alina Nicolescu, Victorita Tecuceanu Deniz Sinirlioğlu

Viorica Elena Podasca, Tinca Buruiana, Florentina Jitaru, Emil Constantin Buruiana Koksal Karadag, Soner Kizil, Gulsah Ozan Aydin, Hayal Bulbul Sonmez Soner Kızıl, Gülşah Ozan Aydın, Hayal Bülbül Sönmez Ha Kyun Jung, Jung Hyun Seo, Sungho Choi Fulya Çağla Çelikel, Dilek Güzeller, Hale Ocak, Belkız Bilgin Eran Abdelkrim Kahoul Farid Naamoune, Djazia Chalal Boudjema Bouzid, Mordjaoui Mourad, Tarfa Nassima

Benguechoua Imene Mebarka, Benbertal Djamel Med, Taouti Mohamed Benabdallah Syeda Sara Hassan, Sirajuddin Siraj Uddin, Mohammad Hassan Agheem, Amber Rehana Solangi PREPARATION OF POROUS CARBONACEOUS Naima Bouchenafa Saib, Nesrine Madani, Ourida Mohammedi MATERIALS FROM THE Stipa tenacissima

Chemical Industry and Innovation/ CII-P-01

POSTER SESSION - I

Pub. No. P-0458

Abstract no: 241

P-0459

1726

P-0461

1248

Title

Authors

Characterization of Encapsulated Titanium Dioxide using Engkabang Fat Esters for Cosmeceutical Industry

Siti Salwa Abd Gani, Mahiran Basri, Mohd Basyaruddin Abdul Rahman, Anuar Kassim, Raja Noor Zaliha Raja Abd Rahman, Abu Bakar Salleh, Zahariah Ismail Ş. İsmail Kırbaşlar, Ayşegül Gemici, Aslı Gök, Hasan Uslu

Extractive Separation Of Fumaric Acid By Tridodecyl Amine And Tributyl Amine In Different Solvents The oxidative dehydrogenation of propane with nitrous oxide over iron containing ZSM-5 zeolites

Ayten Ates, Gamze Topal

Symposium III - Analytical and Risk Considerations for Nanomaterials and Emerging Environmental Contaminants Pub. No. P-0466

Abstract no: 1077

P-0467

2214

Title

Authors

The Analytical Examination of The Magnetic Nanoparticles Influence of operating parameters on photocatalytic degradation of metformin in uv/ tio2 process

Semanur Sarıbuğa, F. Ayça Özdemir Olgun, Birsen Demirata Öztürk Nacèra Yeddou Mezenner, Fatiha Atmani, Hiba Kais, Farid Medjene

Symposium IV - Marine Pollution and Sustainable Management of Coastal Environment Pub. No. P-0469

66

Abstract no: 911

Title

Authors

Selenium: mercury molar ratios in fish and shellfish from a tropical area: interspecifc and intraspecifc variations

Tércia Guedes Seixas, Isabel Moreira, Olaf Malm, Helena Amaral Kehrig

P-0471

997

P-0472

1000

P-0473

1271

P-0475

3051

Different Species of Mercury in South American fur seal (Arctocephalus australis) from Southern Brazil A Multiple Trace Element Study In Surface Sediments By Ed-Xrf From The Southeastearn Adriatic, Boka Kotorska Bay Principal component analysis (PCA) of trace elements in surface sediments sampled along the southeastern Adriatic coast Study of the exposure of M.Galloprovincialis and C.Chione in high concentrations of Cd, Pb, Ni Evaluation of extracting titanium dioxide from water-based paint sludge in auto-manufacturing industries and its application in paint production

Helena Amaral Kehrig, Tércia Guedes Seixas, Olaf Malm, Gilberto Fillmann, Isabel Moreira, Carlos Eduardo Rezende Slavka Stankovic, Bojan Tanaskovski, Bozidarka Zlatic, Milica Arsenovic, Lato Pezo, Sandro Degetto Slavka Stankovic, Bojan Tanskovski, Bozidarka Zlatic, Milica Arsenovic, Lato Pezo Manos Dassenakis, Olga Chalkiadaki, Nikolaos Lydakis Simantiris Sahar Tabibian

2nd Day / 12.08.2013 / Monday

918

POSTER SESSION - I

P-0470

67


Clean Energy Through Chemistry / CETC-P-02 Pub. No. P-0476

Abstract no: 1570

Title

Authors

Photocatalytic H2 Production from Protons with Re and Co complexes Proton Conducting Polyimide Composites An Homogeneous Photocatalytic Hydrogen Production with a New Photosensitizer Rhenium Complex Cr/α-Cr2O3 monodispersed spherical core-shell particles based solar absorbers

Christina Kefalidi, Christiana Mitsopoulou

P-0477 P-0478

2042 2050

P-0479

2072

P-0480

2242

P-0481

2353

P-0482

2454

P-0483

2505

Ammonia Borane Composites with Polyethylene Oxide for Improved Hydrogen Storage

P-0484

2891

P-0485

3046

P-0486

2988

Numerical analyse of naturel convection in an LNG storage tank Hydrogenation of p-chloronitrobenzene over palladium supported on activated carbon Polymer Monolith Applied to Electrolyte Film for High Reliability Lithium-ion Battery

P-0489

2095

Enhancement of Syngas Mass Transfer in Aqueous Solution by Surface-modified Nanoparticles Preparation of W-doped vanadium dioxide nanoparticle with low temperature phase transition characteristics Azole Substituted Cyclic And Polymeric Phosphazenes For Pem Fuel Cells

Electrochemical analysis of oxygen reduction activity and H2O2 formation on Pt/C, PtSn/C, PtSnNi/C electrocatalysts

Emrah Çakmakçı, Atilla Güngör Sofia Efstathiadou, Eugenia Koutsouri, Christina Kefalidi, Christiana Mitsopoulou Saleh Khamlich, Rob Mccrindle, Ncholu Manyala, Malik Maaza, Saleh Khamlich, Saleh Khamlich, Malik Maaza Young Kee Kim, So Eun Park Jung Whan Yoo, Cho Won Jo, Jee Hye Shin, Ki Bong Lee Ferda Hacivelioglu, Hüsnüye Ardıç Alidağı, Özlem Meydan Gırgıç, Yunus Zorlu, Sevim Ünügür Çelik, Ayhan Bozkurt, Adem Kılıç, Serkan Yeşilot Atahl Nathanson, Anna Ploszajski, Zeynep Kurban, Arthur Lovell, Steve Bennington, Neal Skipper Amel Djeghdjegh, Mohamed Belmadani, Toufik Belmrabet Nesrine Madani, Naima Bouchenafa Saib, Ouiza Chérifi Norio Ishizuka, Kyoko Konishi, Hideki Kagata, Yohei Nakanishi, Keita Sakakibara, Yoshinobu Tsujii, Takashi Morinaga, Takaya Sato Figen Kadırgan


POSTER SESSION - II

Pub. No.

68

P-0493

Abstract no: 1120

P-0494

1211

P-0495

1213

P-0496

1217

P-0497

1255

P-0498

1256

P-0499

1263

P-0500

1275

P-0501

1314

Title

Authors

Determination of Polycyclic Aromatic Hydrocarbons (PAHs) By Nuclear Resonance (NMR) Spectroscopy Determination of Cyanide in Urine by IonChromatography with Suppressed Conductivity Detection A New Validated HPLC-UV Method For The Simultaneous Determination Of Vildagliptin And Metformin In Pharmaceutical Preparations Simultaneous Determination of Perchlorate, Thiocyanate, Nitrate and Iodine Levels in Milk by Ion Chromatography A Hplc Method For Simultaneous Determination of Phenol And p-Cresol In Human Urine

Wachirapun Punkrawee, Anuttra Nuamthanom

Determination of the Proton Binding Constants of Dendrimers with Hyperquad Removal of Metal Ions from Aqueous Solutions by Polymer Assisted Ultrafiltration Strontium Isotope Amount Ratios in a Biological Tissue as Candidate Reference Material using MC-ICPMS Immobilization and characterization of Pancreatic Lipase Enzyme on Composite Carriers

Melike Güler Cırcır Şimşek, Orhan Destanoğlu, Gülçin Gümüş Yılmaz Serife Evrim Kepekci Tekkeli, Demet Dincel, Mustafa Volkan Kiziltas Şeyda Aydoğdu, Orhan Destanoğlu, Gülçin Gümüş Yılmaz Serife Evrim Kepekci Tekkeli, Mustafa Volkan Kızıltas, Demet Dincel, Armağan Önal, Reha Erkoç, Gülaçtı Topçu Ali Serol Ertürk, Abdurrezzak Emin Bozdoğan, Metin Tülü Ali Serol Ertürk, Metin Tülü Johanna Irrgeher, Thomas Prohaska, Ralph Edward Sturgeon, Zoltán Mester, Lu Yang Dilek Günal

P-0503

1338

P-0504

1356

P-0505

1421

P-0506

1424

P-0507

1432

P-0508

1440

P-0509

1469

P-0510

1479

P-0511

1484

P-0512

1553

P-0513

1568

P-0514

1573

P-0515

1588

P-0516

1594

P-0517

1606

P-0518

1649

P-0519

1673

P-0520

1674

P-0521

1832

P-0522

1978

P-0523

1997

P-0524

2010

Method Development For Online Preconcentration of Cu (II) Based on Flow Injection System by Atomic Absorption Spectrometer Comparison of accelerated solvent extraction, solid-phase extraction and adsorption extraction in the determination of polycylclic aromatic hydrocarbons in extender oil Retention Mechanism of Artificial Sweeteners by HILIC-ESI-MS/MS Biological Activities and Chemical Composition of Silene compacta Phytochemical Investigation of Sideritis albiflora with Antioxidant Activity The EI Induced Mass Fragmentation of Some Derivatives Related to Amphetamine Chemistry Determination of Heavy Metals in Lipsticks

Gamze Çolak

Anuttra Nuamthanom

Maroula G. Kokotou, Nikolaos S. Thomaidis Abdulselam Ertaş

Gülaçtı Topçu, Abdulselam Ertaş, Mehmet Boğa, Demet Dinçel, Ufuk Kolak Dariusz Adam Blachut, Slawomir Szczepanczyk, Piotr Potejko Nikolaos Kallithrakas Kontos, Roumpini Moshohoritou Fedor N. Karachevtsev, Tatiana N. Zagvozdkina, Application of ICP-AES methods for analyses of Roman M. Dvoretskov Nickel alloys Fluorescent Chemosensor for Uranyl ion Based on Orhan Güney, Fehmi Karagöz, Mehmet Kandaz Intramolecular Charge Transfer Mechanism Yong Hee Chung, Yown Hwangbo, Yeon Su Kim Separation of methanol/water mixtures using silicone membranes Takae Takeuchi, Shoko Ichii, Yoshitaka Analysis of Microbial Volatile Organic Nakamura, Toshiki Sugai, Tomohiro Akashi, Compounds for Conservation Technology of Masato Kiuchi, Takahito Suzuki Cultural Heritage: Development of Software for Fungal Species Identification Silicon Determination in Metal Materials ICP-AES Fedor N. Karachevtsev, Marina S. Yakimova, Tatiana N. Zagvozdkina, Roman M. Dvoretskov Method Şule Dinç, Hüsnü Cankurtaran Solvent Vapors Sensing Properties of Water Soluble Conductive Polymer (PSDA) and its Nanocomposites Based Humidity Sensors Monitoring of Pesticide Residues in Environment- Jae Yun Lee, Hyun Ho Noh, Kee Sung Kyung friendly Agricultural Products and Their Safety Assessment Hyun Ho Noh, Jae Yun Lee, Oh Seok Jeong, Ji Residual Characteristics and Processing and Hee Choi, Ae Son Om, Kee Sung Kyung Reduction Factors of Environment-friendly Agricultural Material Rotenone in Chilli Pepper Ebru Deveci, Ibrahim Kivrak, Gulsen Tel, Aroma Components of Some Edible Mushrooms Mehmet Ozturk, Aziz Turkoglu, Mehmet Emin Naturally Growing in Anatolia Duru Influence of some chemical, mineral, heavy metal, Beşir Dağ, Zekai Tarakçı, Tarık Yarılgaç, Hasan rheology characteristics, color values and sensorial Temiz acceptability of adding fruit marmalades to traditional turkish yogurts Beşir Dağ, Fevzi Kılıçel, Mehmet Şen, Determination of Some Traces Metal Muhammed Acar, Ekrem Kaya Contamination in Some Spring and Thermal Waters Around Van by AAS and ICP-MS Wandee Luesaiwong, Jitwirai Waluranaruk An Alternative Sample Preparation for Determination of Lead in Lead-free Solder using Inductively Coupled Plasma Optical Emission Spectrometer (ICP-OES) Study of Hg Pollution in Fish from Peruvian Coast Delmas Robles Dora Inés, Rivera Castilla Dolores, Eslava Jimenez Diego, Muñoz Huillcas Patricio, Leyva Rivera Tania Şule Dinç, Hüsnü Cankurtaran Quartz Crystal Microbalance Humidity Sensor Using Conductive Polymer Poly(Sulfonic Diphenylamine) Abdullah Taner Bişgin, Mustafa Uçan, İbrahim Separation, preconcentration and spectrophotometric determination of Rhodamine Narin B in different water samples by solid phase extraction method Işıl Hacıbekiroğlu, Ufuk Kolak Determination of Ochratoxin A in foods from Turkey


1317

POSTER SESSION - II

P-0502

69


P-0525

2045

P-0526

2049

P-0527

2051

P-0528

2096

P-0529

347

P-0530

2474

P-0531

1819

P-0532

1425

P-0533

3034

P-0534

1955

P-0540

1826

P-0548

3035

Determination of cadmium and lead by anodic stripping voltammetry with glassy carbon electrode modified with polymeric meso-tetrakiste trabromothienylporphyrin Antioxidant and Anticholinesterase Activities of Atriplex hortensis Comparison of Antioxidant Capacity of Several Tomato Samples Myoglobin immobilized on the multiwalled carbon nanotube-cysteamine-nafion modified gold electrode for hydrogen peroxide and nitrite biosensor Design of A Multiwalled Carbon NanotubeNafion-Cysteamine Modified Tyrosinase Biosensor and its Adaptation to Dopamine Determination Plasma Selenium Levels in Turkish Women With Polycystic Ovary Syndrome VCD Determination of the Absolute Configuration of a Rare Class of Natural Products: Secolignans Isolated from Peperomia Blanda (Piperaceae) Nutritional and Elemental Analyses of Selected Aboriginal Plants Used as vegetables in the Arid Ecosystem of Cholistan Desert Development and Validation of RP-HPLC Method of Analysis for the Quantitative Determination of a Binary Mixture in Pharmaceutical Dosage Forms Determination of selenium levels in foods from Algeria by ICP-MS CHARACTER STUDY NUTRITION (carbohydrates, aminoacids and proteins) OF ISÓPTERO Nasutitermes sp Development and Validation of RP-HPLC Method of Analysis for the Quantitative Determination of a Binary Mixture in Pharmaceutical Dosage Forms

Rodrigo Andres Segura, Fernado Godoy, Maria Paz Oyarzun, Jaime Pizarro Pelin Köseoğlu, Işıl Hacıbekiroğlu, Ufuk Kolak Nur Kılınç Erhan Canbay, Berika Şahin, Müge Kıran, Erol Akyılmaz Erhan Canbay, Erol Akyilmaz

Ayhan Coskun, Tugba Arıkan, Metin Kılınc, Deniz Cemgil Arıkan, Hasan Cetin Ekerbicer Lidiane Gaspareto Felippe, João Marcos Batista Junior, Isabele Rodrigues Nascimento, Laurance Nafie, Vanderlan Silva Bolzani, Massuo Jorge Kato, Maysa Furlan Aqeela Shaheen Joiya, Sajida Noureen, Anila Shaheen Joiya, Muhammad Arshad, Karamat Mahmood Betül Ataoğlu, Aysel Küçük Tunca, Devrim Karakaya Assia Nait Merzoug, Hocine Merazig Christian David Sánchez Barinas, Adis Ayala Fajardo Betül Ataoğlu, Aysel Küçük Tunca, Devrim Karakaya

Chemical Synthesis / CS-P-02

POSTER SESSION - II

Pub. No.

70

P-0549

Abstract no: 1671

P-0550

1679

P-0551

1718

P-0552

1720

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1722

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1727

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1758

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Title

Authors

Synthesis of the new 2-(2-fluorophenyl)-4-O-alkyl quinoline derivatives, and their antimicrobial activities Low and high temperature bromination of 2-cyano benzonorbornadiene Synthesis a New Class of 1,4-diamino carbosugar

Gonca Tosun, Tayfun Arslan, Şengül Alpay Karaoğlu, Nurettin Yaylı Sara Taşkesenlioğlu, Arif Daştan

Khamıs Nassor Ally, Gökay Aydın, Tahir Savran, Arif Baran Tolga Özer, Sedat Sevmezler, Gökay Aydin, Arif A New Synthesis of Substituted PhenylBaran Carbasugars Synthesis and Characterization of New Ruthenium Mejra Bektaševic;, Emira Kahrovic (III) Salycilaldehydato Complex Mehmet Arslan, Duygu Aydın, Rana Sanyal, preparation of sıde chain reactive α,ω-telechelic Amitav Sanyal raft polymers Sinem Tuncel, Mahmut Durmuş, Tamara Alkyloxy and alkylthio substituted liquid Basova, Ayşe Gül Gürek, Vefa Ahsen crystalline lead(II) phthalocyanines Rahmiye Aydın, Duygu İnci, Hasene Mutlu New Planar Copper(II) Complexes Including Gençkal, Nilüfer Çinkılıç, Özgür Vatan, Dilek 1,10-Phenanthroline and 4,7-dimethyl-1,10phenanthroline: Synthesis, Characterization, DNA Yılmaz, Yunus Zorlu Binding and Cleavage Activity and Cytotoxicities Pınar Şen, Salih Zeki Zeki Yıldız Preparation of Phthalocyanines Carrying BODIPY Units on Their Periphery as The Multichromophoric Systems Alper Akin, Nuran Işıklan Microwave Assisted Synthesis and Characterization of Sodium alginate-graftPoly(N,N dimethyl acrylamide)

P-0560

1863

P-0561

1864

P-0562

1873

P-0563

1897

P-0564

1909

P-0565

1920

P-0566

1932

P-0567

1965

P-0568

1966

P-0569

1983

P-0570

2022

P-0571

2024

P-0572

2025

P-0573

2032

P-0574

2035

P-0575

2036

P-0576

2046

P-0577

2087

P-0578

2094

P-0579

2098

P-0580

2107

P-0581

2117

P-0582

2125

P-0583

2140

Cinchona Alkaloid Based Bifunctional Urea Catalyzed Enantioselective Aldol Reactions of Alpha Azido Ketones and Alpha Oxo Esters Synthesis, Characterization and Investigation of Biological Activities of Some Fused Heterocyclic Compounds Containing Azole Derivatives by Using Microwave Irradiation Solvent-Free Synthesis of Novel Phthalocyanines Containing Triazole Derivatives Under Microwave Irradiation Synthesis and Characterization of Novel(trifluoromethyl)phenylethynyl-substituted Metallophthalocyanines Useful Synthetic Blocks for Bioactive Compounds: Novel Preparation of Silyl Dienol Ethers Synthesis, Characterization and Electrochemical Investigation of Novel Benzoquinone Derivatives The Synthesis of Unsymmetrical bis-Boranil Complexes and Their Optical Properties Metal-free and metallo-porphyrazines with eight (3-thiopropyl anthraquinone-2-carboxylate) units N-Pyridine-[1,3-dialkylbenzimidazol-2ylidene]palladium(II) Complexes: Synthesis, Characterization, and Catalytic Activities in the Arylation Reaction Synthesis of 5-Coumaryl-2-(Sulfonamides)Thiazole Derivatives Organocatalysts Based on Aspartic Acid for the Asymmetric Epoxidation of Olefins Synthesis and Characterization of Novel Non-peripherally Octa-substituted Zinc(II) Phthalocyanine Photophysical Interactions Between Anthracenyl Substituents and Phthalocyanine Cores The First and Efficient Synthesis of Some of The Polyhalogenated Benzobarrelenes: Unusual Formation of A Benzosemibullvalene Derivative MoO2(VI) Complex With An ONS Chelating Salicylaldehyde Thiosemicarbazone Novel tetrasubstituted phthalocyanines containing eight dodecaborane units for boron neutron capture therapy The synthesis and characterization of monomeric bisaxial complex [FePz(py)2] and bridged complex [FePz(pyz)]n 7-Oxy-3-(3,4,5-Trimethoxyphenyl)coumarin Substituted Zinc Phthalocyanines Synthesis and Structural Characterization of Novel Substituted 4H-1,2,4- triazole Family Microwave Assisted Synthesis of Some Novel Imidazole Derivatives Microwave Assisted Synthesis of Some Novel Benzimidazol and Perimidine Derivatives with Their Lipase Activity New thiophene-1,2,4-triazole-5(3)-ones: highly bioactive thiosemicarbazides, structures of schiff bases and triazole-thiols Regioselective Synthesis of 2,6 Sustituted Quinoxalines by Microwave/Conventional Methodology Synthesis, characterization and thermal studies of two new cadmium (II) nitro complexes Reactions of 2-nitro-pentachloro-1,3-butadiene with Heterocyclic Thiols

Seda Okumuş, Cihangir Tanyeli Musa Özil, Osman Bodur

Musa Özil, Mutlu Canpolat, Osman Bodur, Selami Şaşmaz, Bahittin Kahveci Altuğ Mert Sevim, Hacer Yasemin Yenilmez, Özgün Akdağ, Zehra Altuntaş Bayır Yuji Matsuya, Azusa Koiwai, Daishiro Minato, Kenji Sugimoto, Naoki Toyooka Sibel Sahinler Ayla, Cemil Ibis, Senol Yavuz Büşra Kahraman, Samet Yuvayapan, Ayse Daut Özdemir Ergün Gonca


1857

Senem Akkoç, Yetkin Gök, İlhan Özer İlhan

Belma Zengin, Fatih Sönmez, Mustafa Küçükislamoğlu Constantinos Spyropoulos, Dimitris Limnios, Christoforos G Kokotos Altuğ Mert Sevim, Ahmet Gül Altuğ Mert Sevim, Ibrahim Özçeşmeci, Ahmet Gül Selçuk Eşsiz, Mehmet Emin Şengül, Demet Demirci Gültekin, Arif Daştan Songül Duman, Bahri Ülküseven, İrfan Kızılcıklı Bahar Birsöz, Ahmet Gül Bahar Birsöz, Ergün Gonca Esra Nur Kaya, Mahmut Durmuş, Mustafa Bulut Esra Düğdü, Dilek Ünlüer, Fatih Çelik, Emrah Birinci, Yasemin Ünver, Kemal Sancak Fatih Yılmaz, Emre Menteşe, Bahittin Kahveci Emre Menteşe, Fatih Yılmaz, Nesrin Karaali, Serdar Ülker, Bahittin Kahveci Fatih Çelik, Emrah Birinci, Yasemin Ünver, Esra Düğdü, Dilek Ünlüer, Kemal Sancak Javier Peralta Cruz, Mónica Díaz Fernández, Karina Ramírez Hernández., José Jesús Morales Castellanos, Alejandro Hernández Tanguma, Omar Yasser García Ipiña, Fausto Mejía Pérez Maryam Hajighahramani, Sharyar Ghamamy, Farnaz Movafagh Sibel Sahinler Ayla, Funda Ozkok, Cemil Ibis

POSTER SESSION - II

P-0559

71

3rd Day / 13.08.2013 / Tuesday POSTER SESSION - II 72

P-0584

2143

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2147

P-0586

2160

P-0587

2188

P-0588

2193

P-0589

2194

P-0590

2224

P-0591 P-0592

2226 2257

P-0593

2921

P-0594

2280

P-0595

2292

P-0596 P-0597

2303 2314

P-0598

2320

P-0599

2321

P-0600

2325

P-0601

2327

P-0602

2330

P-0603

2331

P-0604

2351

P-0605

2376

P-0606

2421

P-0607

2424

P-0608

2437

P-0609

2440

P-0610

2443

A Facile Synthesis of Novobiocin Analogs using Copper-catalyzed and Microwave-assisted 3-Amidocoumarin Formation Dibenzo[bc,fg][1,4]oxathiapentalene- An Elusive Molecule? Palladium – catalyzed intramolecular C-H amidation: Synthesis and biological activities of indolobenzazocin-8-ones Synthesis and docking studies of new aryloxy heterocyclic quinones as potential trypanosomicidal agents Synthesis, Antielastase, Antioxidant and Radical Scavenging Activities of 4-(aza substitued) Methylene Substitued Monohydroxy and Dihydroxy Coumarines Synthesis, structural characterization, antimicrobial properties and ion transportation investigations of four new [1 + 1] condensed 12 membered cyclophane amides Study on reactions between amino calix[4]arenes and sesquiterpenecarbaldehydes Synthesis of New Isoquinoline Derivatives Rearrangement Reactions of Benzonorbornadiene Derivatives Including Spirocyclopropyl Methanol Asymmetric cyclopropanation of α-Angelica lactone – building quaternary stereocentres Synthesis and spectral properties of high performance colorants based on pyrrolinone ester The synthesis of new generation amino compounds of dithionepyrrole Studies on (-)-kaurene chemistry Synthesis, Characterization, and Biological Activity of Novel Mixed Ligand Complexes of Zn (II) Naproxen with Nitrogen Based Ligands Synthesis of novel tetrakis(thio)substituted Butadiene Compounds Syntheses of cyrhetrenyl and ferrocenyl amide functionalized with crown ether and azamacrocycle Synthesis And Spectroscopic Properties Of A New Phosphorescent Iridium Complex Synthesis of New of Heterocyclic Azo Dyes and İnvestigated of Their Spectroscopic Properties Synthesis of New of Heterocyclic Disazo Dyes and İnvestigated of Their Spectroscopic Properties Syntheses of cyrhetrene and cymantrene imine complexes functionalized with 4-benzo-15crown-5 ether fragment Triazatriangulene (TATA) as anchoring group: the platform approach Facile Synthesis Of Quaternizable And Water Soluble Zinc Phthalocyanines Self-assembled pH-Responsive Micelles From Amphiphilic Triblock Copolymers Investigation Of Physical And Adhesive Properties Of Poly(Vinyl Acetate-Co-Dioctyl Maleate) Copolymer Latexes Nickel(II)-Triphenylphosphine Complex of N-Butyl-Thiosemicarbazone Nickel(II) Complex of The ONN Chelating 2-Hydroxyacetophenone-Thiosemicarbazone 4,4'-(9-Fluorenylidene)diphenol Bridge Cyclotetraphosphazene Derivatives and Their Fluorescence Properties

Nopporn Thasana, Prattya Nealmongkol, Somsak Ruchirawat Virginia Mazzanti, Eduardo A. Della Pia, Martyn Jevric, Tue Heesgaard Jepsen, Anders Kadziola, Ole Hammerich, Mogens Brøndsted Nielsen Sasiwadee Boonya Udtayan, Meredith Eno, Somsak Ruchirawat, Chulabhorn Mahidol, Nopporn Thasana Ricardo Alfredo Tapia, Cristian Osvaldo Salas, Karina Wendolina Vazquez, Christian Espinosa, Javier Varela, Mercedes Gonzalez, Hugo Cerecetto, Margot Paulino Gulsah Aydin, Gulsah Aydin, Bahar Bilgin Sokmen, Arzu Gumus, Seref Karadeniz, Halil İbrahim Ugras, Refiye Yanardag, Umit Cakır Mustafa Ulvi Gürbüz, Naz Mohammed Aghatabay, Md Amir Verónica Armstrong, Claudio Saitz, Miguel Castañeda Belma Zengin, Selime Atmaca, Mustafa Zengin Halil Şenol, Çetin Bayrak, Abdullah Menzek, Ertan Şahin, Sedef Sırtbaşı Oliver Sowada, Gülsüm Özüduru, Thea Schubach, Mike Martin Kwabena Boysen Tarek Aysha, Stanislav Lunak, Radim Hrdina Ümmügülsüm Can, Hacer Azak, Hüseyin Bekir Yıldız, Oktay Talaz Sevinc Ilkar, Cavit Uyanik Hadeel Hassan Fares, Hijazi Abu Ali, Mohannad Daoud Darweesh, Emilia Rappocciolo Hakan Bahar, Cemil İbiş Fernando Godoy, Nicolas Agurto, Alejandra Gomez Aysen Goren, Cigdem Sahin Nesrin Şener, Selinay Erişkin, İzzet Şener Selinay Erişkin, Nesrin Şener, İzzet Şener Fernando Godoy, Alejandra Gomez, Tamara Maldonado, Michelle Muñoz Marco Santella, Zhongming Wei, Xintai Wang, Bo Wegge Laursen Betul Nur Sen, Hatice Dincer, Muhammet Kasım Sener Yasemin Tamer, Hüseyin Yıldırım Huseyin Yıldırım, Yasemin Tamer, Buşra Türkoğlu Şükriye Güveli, Tülay Bal Demirci, Bahri Ülküseven Şükriye Güveli, Bahri Ülküseven Gönül Yenilmez Çiftçi, Elif Şenkuytu, Mahmut Durmuş, Adem Kılıç

P-0612 P-0613

2447 2451

P-0614

2455

P-0615

2456

P-0616

2459

P-0617

2463

P-0618

2467

P-0619

2469

P-0620

2472

P-0621

2475

P-0622

2480

P-0623

2488

P-0624

2489

P-0625

2506

P-0626

2518

P-0627

2523

P-0628

2538

P-0629

2543

P-0630

2552

P-0631

2920

P-0632

2898

P-0633

2899

The synthesis and characterization of 2-Naphthylamine Substituted Cyclotetraphosphazenes The Synthesis of Some Novel Thioethers Iron(III) and Nickel(II) Complexes with the quadridentate Ligands Based on S-Allylthiosemicarbazide Dioxomolybdenum(VI) Complexes Of Some N-Methyl-S-Allyl Thiosemicarbazones Nickel(II) Unsymmetrical N2O2 Tetradentate Schiff-Base Complexes Iron(III) and Zinc(II) Template Complexes Derived From 2-Hydroxy-acetophenone Thiosemicarbazone Dioxomolybdenum(VI) Centered N-Phenyl Thiosemicarbazone Complexes Direct Borohydride Fuell Cells: Development of Conducting Polymers Based on Metalloporphyrins for Oxygen Reduction Synthesis and Characterisation of Iron(III) and Nickel(II) Complexes with N1,N4-diarylidene-Smethylthiosemicarbazone Postfunctionalization of Polycarbonates via Sequential Micheal Addition and Radical Thiolene Click Reactions Functionalization of Corroles by Heck CrossCoupling Reaction: Formation of New Derivatives Functionalizable Hydrogels via Thiol-Ene Click Reaction 3-(Diethylamino)phenoxy and Hydroxyethylthio Substituted Unsymmetrical Phthalocyanines Novel o-Carborane Containing Unsymmetrical Phthalocyanine Synthesis and Characterization of Salen-Type Oxovanadium(IV), Oxotitanium(IV) and Dioxomolybdenum(VI) Complexes Derived From 3,4-diaminobenzophenone Synthesis and Characterization of Novel Phthalocyanines Substituted with (2,5-Dimethoxyphenyl)diazenyl Group Synthesis of Benztriazole Substitue 1,3,4-thiadiazoles and 1,3,4-oxadiazoles Novel Beta (2,3-Dimethoxyphenyl)diazenyl Substituted Metal-Free, Co(II) and Zn(II) Phthalocyanines: Synthesis and Characterization Preparation of Cyanophenanthrenes Effects of modified curcumin on Leishmania donovani parasites An insight into the C–S coupling mechanism of aryl Grignard reagents with aryl arenesulfonates Microwave Assisted Sythesis and Characterizatıon Of Some Phthalocyanines Containing Isoquinoline Azo Dye Microwave Assisted Sythesis And Characterizatıon Of Some Phthalocyanines Containing Guaiacol Azo Moieties

Gönül Yenilmez Çiftçi, Elif Şenkuytu, Fatma Yuksel, Adem Kılıç Fatma Serpil Göksel, Cemil Ibiş, Elif Aydın Seyhan Albar, Yasemin Kurt Songül Duman, Yasemin Daşdemir Kurt, İrfan Kızılcıklı, Bahri Ülküseven Seyhan Albar, Yasemin Kurt Yasemin Kurt Şenol Çelen, Songül Duman, İrfan Kızılcıklı Jose A Silva Cavaleiro, Claudia M. B. Neves, I. M. Ornelas, A. S. Viana, M. Graça P. M. S. Neves, J. P. Correia Yasemin Kurt


2446

Bilal Buğra Uysal, Ufuk Saim Günay, Gürkan Hızal, Ümit Tunca Jose A Silva Cavaleiro, Bernardo A. Iglesias, Joana F. B. Barata, Maria G. P. M. S. Neves Sadık Kağa, Rana Sanyal Nilgün Özgür, Ilgın Nar, Esin Hamuryudan Nilgün Özgür, Ilgın Nar, Esin Hamuryudan Eylem Dilmen, Canan Hande Beyazlıoğlu, Musa Şahin, Ayşe Erçağ Safinaz Şahin, Selçuk Altun, Zafer Odabaş Betul Inci, Murat Genc, Umut Ibrahim Oguz Safinaz Şahin, Selçuk Altun, Zafer Odabaş Seda Duman, Kıymet Berkil Akar, Osman Çakmak Shireen Reyad Ashkar, Abedelmajeed Nasereddin, Adel Hidmi Fatma Eroğlu Sonmez Arslan, Cihan Kantar, Mesut Namlı, Selami Şaşmaz Sonmez Arslan, Cihan Kantar, Erman Baki, Hayriye Akal, Güna Kaya Kantar, Elif Hacıalioğlu, Vildan Mavi, Selami Şaşmaz

POSTER SESSION - II

P-0611


Abstract no: 1172

P-0635

1180

Title

Authors

Characterization of CIS/CdS Thin-Film Photovoltaics by X-Ray Photoelectron Spectroscopy Facile method for bromomethylsilanation of silica microspheres for further modification

Pinar Aydogan, Angus Alexander Rockett, Sefik Suzer Barış Kumru, Niyazi Bicak 73


P-0636

1189

P-0637

1232

P-0638

1250

P-0639

1274

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1289

P-0641

1303

P-0642

1305

P-0643

1371

P-0644

1380

P-0645

1407

P-0646

1486

P-0647

1488

P-0648

1497

P-0649

1507

P-0650

1525

P-0651

1528

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1547

P-0653

1587

P-0654

1591

P-0655

1630

P-0656

1687

P-0657

1717

P-0658

1725

The Synthesis of (N1E,N4E)-N1,N4-Bis(Pyridin2-yl)Methylene)Benzene-1,4-Diamine and Investigaion of Its Efficiency As New Binuclear Catalyst Complex in Copper Based ATRP Considerations on user interface, internal structure and scenario of development of databases of thermophysical properties Ni/Al2O3 hydrodechlorination catalysts prepared using Ni nanoparticles from colloidal dispersion or supported by laser electrodispersion

Hulya Arslan, Muammer Gurkan Kaptan, Şadi Şen, Murat Emre Hanhan Zdeněk Wagner

Ekaterina S Lokteva, Natalia E Kavalerskaya, Elena V Golubina, Tatiana N Rostovshchikova, Sergey A Gurevich, Vladimir N Kozhevin, Denis Yavsin Effect if ionic strength and temperature on critical Ana Sebenji, Mihalj Poša, Zita Farkaš, Vesna Tepavcevic, Dejan Cirin micelle concentration of cholic acid In Situ Study Of Rubber Latex Nanostructure As A Alan Jenkin Chan, Mathilde Abad, Marie Eloy, Katia Baran, Karine Steenkeste, Fabien Function Of Protein Contents Gaboriaud, Marie-Pierre Fontaine-Aupart Damla Ülker, Gökhan Koçak, Şerife Betül Baker, Synthesis of Double-Hydrophilic Water Soluble Duygu Erkmen, Cansel Tuncer, Yasemin Samav, Block Copolymers and Their Usage in the Vural Bütün Synthesis of Metal Nanoparticles Şerife Betül Baker, Damla Ülker, Vural Bütün Polyamphoteric Hydrogels As Controlled Drug Releasing Systems Artür Manukyan, Adem Tekin Force Field Development for Cytosine and Guanine DNA Bases Toshio Kamijo, Takaya Sato, Takashi Morinaga, Characterization of Ionic Liquids Confined Masashi Mizukami, Kazue Kurihara between Silica Surfaces Using Resonance Shear Measurement Juan Sebastian Abella Coronado, Carmen Maria Interaction of Chymotripsinogen with Polyols in Romero Isaza Aqueous Solution at 298.15 K Barış Karabay, Merve İçli Özkut, Halil İpek, Furan and Benzochalcogendiazole Based Atilla Cihaner, Ahmet Muhtar Önal Conjugated Polymers Fehmi Karagoz, Orhan Guney Synthesis and Characterization of Sol-Gel with Fluorescent Silane for Sensing of Metal ions Busra Altinsoy, Mehmet Copuroglu, Sefik Suzer mechanically assisted gold particles deposition by galvanic displacement on silicon surfaces and characterization by X-Ray Photoelectron Spectroscopy- XPS Anthraquinon Substituted Cobalt Phthalocyanine Yeliz İpek, Atıf Koca, Kasım Şener Pesticide Biosensor optimization of the carthamus caeruleus L ethanol Amel Toubane, Meriem Chaachoua, Djazia Kabrine, Sid Ahmed Rezzoug, Kamel Daoud extracts microencapsulation for cosmetic and medicinal uses Amel Toubane, Rihab Layada, Ibtihal Belkacem, optimization of the extraction of algerian sticky Sid Ahmed Rezzoug, Kamel Daoud fleabane (inula viscosa) and anti inflammatory study of the extract Dynamic mechanical properties and morphplogy Young Min Kim, Kwang Hwan Ko, Young Wun of sodium neutralized pmma ionomers containing Kim, Joon Seop Kim dimer acid sodium salt Necati Menek, Okan Uçarlı, Ceren Uğurlar Investigation of Electrochemical Reactıon Mechanism of Trisodium Salt Of 1-(4-Sulpho-1Naphthylazo)-2-Naphthol-3, 6-Disulphonic Acid by Using Voltammetric Techniques Necati Menek, Ceren Uğurlar, Okan Uçarlı, Photocatalytic Degradation of 1-(1-Hydroxy-4Methyl-2-Phenylazo)-2-Naphthol-4-Sulfonic Acid Müge Birol in Water by UV-Irradiated Titania A. Seza Baştuğ, Hande Erensoy, Mustafa Güngör Thermodynamic Study of Binary Complexation of Cu(II) with L-Phenylalanine, L-Tryptophan, β-Alanine and their Methyl Esters in Aqueous Solution Snezana D Zaric Noncovalent Interactions in Organometallic Systems Silvia Rinaldi, Federico Melaccio, Samer Gozem, Comparative analysis of the thermal and Francesca Fanelli, Massimo Olivucci photochemical isomerization of human Melanopsin versus invertebrate and vertebrate Rhodopsin Styryl phosphonic acid as precursor for new metal Bianca Maranescu, Aurelia Visa organic framework

P-0660

1773

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1775

P-0662

1799

P-0663

1835

P-0664

1856

P-0665

1922

P-0666

1967

P-0667

2003

P-0668

2028

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2066

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2075

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2132

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1724

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1834

P-0674

1311

P-0683

1818

Effect of Eosin Y on Solution Behavior of Cationic Surfactants HOMO-LUMO and NBO Analysis of a Novel 2D Chiral Silver(I) Coordination Polymer Assembled From 5-Sulfosalicylic Acid and (2S,4R)-4 Hydroxyproline Potentiometric Study of Copper(II) Complexes Formed by Substitued 1,10-Phenanthroline and L-Amino Acids Ni – vinyl phosphonate electrical properties Test of Mordenite Catalytic Activity in gas phase Toluene Transalkylation Chitosan Citrate Membranes for Naproxen Delivery Characterization and Comparison of A Commercial Chitin and A Synthesized Chitin Derivative UV induced homopolymerization of benzyl methacrylate Modification of Ni/Al2O3 catalyst by gold for chlorobenzene hydrodechlorination Apparent molar volumes of glycine, 2-aminopropanoic acid and 2-aminobutanoic acid in aqueous solutions in the temperature range between 275.6 and 278.6 K Adsorption of Thiazine Dyes onto Bituminous Shale Effects of Electron Donating and Electron Withdrawing Groups on Pyrrole Ring System: A Detailed Hartree-Fock and DFT Study Effects of Electron Donating and Electron Withdrawing Groups on Pyrrole Ring System: A Detailed Hartree-Fock and DFT Study Structure-Related, Experimental and Theoretical Investigations of Various Substitution Patterns Effect on Photophysical and Photochemical Properties of Zinc (II) Phthalocyanines Application of poly p-aminobenzoic acid –poly Molybdate Pt,Modified Electrode for trace determination of N-acetyl L-Cysteine VOC-Free emission for green PVAc Redox emulsion polymerization Various Approaches For The Estimation Of Thermodynamic Functions Of Adsorption For A Number Of Azo Dyes On Activated Carbon

Neşe Erdinç, Sinem Goktürk Fatma Aksakal, Yunus Zorlu, Hatice Can

Rahmiye Aydın, Duygu İnci Bianca Maranescu, Valentin Maranescu, Aurelia Visa Muñoz Huillcas Patricio Eudes, Delmas Robles Dora Ines, Rivera Castilla Dolores Mustafa Basim Attamimi, Elvan Yilmaz Ilhan Uzun Ameer Shakir, Zulal Yalinca, Elvan Yilmaz Ekaterina S Lokteva, Elena V Golubina, Natalia E Kavalerskaya, Polina Rudakovskaya, Alezander G Majouga Carmen M Romero, Andrés Felipe Torres

Elif Türker Acar, Sinem Ortaboy, Gülten Atun Gülbin Kurtay, Pervin Ünal Civcir, Mustafa Güllü Gülbin Kurtay, Pervin Ünal Civcir, Mustafa Güllü Sevinç Zehra Topal, Ümit Işçi, Ufuk Kumru, Devrim Atilla, Ayşe Gül Gürek, Catherine Hirel, Yann Bretonniere, Chantal Andraud, Mahmut Durmuş, Jean Bernard Tommasino, Dominique Luneau, Fabienne Dumoulin Haitham A Alwahab, Saddalah Tawfeaq Sulaiman, Zahra A Bader Farouk Dehmchi, Farhi Halaimia, Ali Gasmi, Abbes Boukhari, Tahar Chelloufi, Abdelhafid Djerourou, Fadhel Ismael Emad Abdulilah Salih Al Hyali, Aiman S. M. T. Shndala

Macro and Nano Science and Technology / MNST-P-02 Pub. No. P-0688

Abstract no: 1335

P-0689

1375

P-0690

1405

P-0691

1417

P-0692

1418


1762

Title

Authors

Förster Resonance Energy Transfer Studies of Luminescent Gold Nanoparticles Functionalized with Ruthenium(II) and Rhenium(I) Complexes The Charge Densities of CeO2-TiO2 (%60/40, n/n) Nano Thin Films Photocatalytic Activities of ZnO and Pd-ZnO Doped by UV Irradiation Method Surface Modification of Electrospun Nanofibers for Biomolecule Immobilization and Glucose Sensing Applications Preparation and Characterization of the Solid Polymer PVB:PMMA Electrolyte Films Doped With Lithium Ions

Frankie Chi-Ming Leung, Anthony Yiu-Yan Tam, Mei-Jin Li, Vivian Wing-Wah Yam Gülsüm Esra Kuzdere, Duygu Guler, Nevzat Kulcu Nuray Güy, Mahmut Özacar

POSTER SESSION - II

P-0659

Sema Demirci Uzun, Fatma Kayaci, Naime Akbasoglu Unlu, Fulya Ekiz, Tamer Uyar, Suna Timur, Levent Toppare Duygu Guler, Gulsum Esra Kuzdere, Nevzat Kulcu 75


P-0693

1429

Benzoselenadiazole and dithienopyrrole based donor-acceptor type copolymers; photovoltaic and electrochromic applications Optimization Of Process Variables And Surface Modification Of Model Drug Loaded Magnetic PLGA Nanoparticles Unusual electronic properties of non-spherical molecular gold clusters Electrochemical Formation of Orderly Distributed Aluminum Etch Tunnels with Uniform Length Development of easy to clean hybrid sol-gel sealer for porous materials Enhancement of anti-fingerprint surfaces for concealed cistern control panels

P-0694

1518

P-0695

1575

P-0696

1580

P-0697

1611

P-0698

1615

P-0699

1616

P-0701

1708

P-0702

1732

P-0703

1739

P-0704

1742

P-0705

1808

P-0706

1861

P-0707

1868

A Novel Smart Microgel

P-0708

1891

Nanoparticles of PCL-PEI as non-viral vectors for gene delivery

P-0709

1948

Electrochromic Properties of a Dithienothiophene and Benzotriazole Containing Conjugated Polymer

P-0710

1977

synthesis of selenophene and benzotriazole containing conjugated polymer and photovoltaic applications

P-0711

2011

All in One Multi-Responsive Microgels

P-0712

2109

Silver microfibers with high aspect ratio generated via galvanic displacment

P-0713

2121

P-0714 P-0715

2137 2461

P-0716

2175

Self-Assembled Metalla-Rectangles for Fullerene Binding Humic substances as natural nanomaterials The Exfoliated Structures of Cross-Linked Poly (Dimethyl Siloxane) Nanocomposites developments in nanotechnology and nanotoxicology in colombia

Mechanical properties and phase compatibility of biodegradable LDPE/Starch films energy transfer studies of fluorene and benzotriazole derivatives for polymer white light emitting diodes applications Synthesis and characterization of transition metal integrated main group clusters Hydrolysis of Bovine Serum Albumin by Using Trypsin Immobilized on Tannic Acid Modified Magnetite Nanoparticles The Active Layer Thickness Effect on BulkHeterojunction Organic Solar Cells Selective removal of mercury from aqueous solutions using thiolated cross-linked polyethylenimine A Functional Immobilization Matrix Based on a Conducting Polymer and Functionalized Gold Nanoparticles for Biosensing Applications

Sinem Toksabay, Serife O. Hacıoglu, Naime A. Unlu, Levent Toppare, Levent Toppare, Levent Toppare, Levent Toppare Tanminul Haque Shubhra Quazi, Tivadar Feczkó, János Gyenis Katsuaki Konishi, Yutaro Kamei, Yukatsu Shichibu Changhyun Park, Junsu Lee, Kyungmin Kim, Youngmin Kim, Jinsub Choi, Youngsug Tak Esin Burunkaya, Ayşe Tunalı, Neslihan Tamsü Selli, Murat Akarsu, Ertuğrul Arpaç Ömer Kesmez, Neslihan Tamsü Selli, Ayşe Tunalı, Esin Burunkaya, Murat Akarsu, Ertuğrul Arpaç Burcu Kekevi, Huseyin Yıldırım Guler Kocak, Ali Cirpan, Ali Cirpan, Ali Cirpan Asude Çetin, Sinem Esra Öğün, Doruk Ergöçmen, Emren Nalbant Esentürk Keziban Atacan, Isa Sahin, Semra Yilmazer Keskin, Mahmut Ozacar Esra Dilber Yildiz, Doğukan Hazar Apaydın, Ali Cirpan, Ali Cirpan, Ali Cirpan, Ali Cirpan, Levent Toppare, Levent Toppare, Levent Toppare Ewa Maria Cukrowska, Dalia Saad, Hlanganani Tutu Melis Kesik, Fulya Ekiz Kanik, Gonul Hizalan, Duygu Kozanoglu, Emren Nalbant Esenturk, Emren Nalbant Esenturk, Suna Timur, Levent Toppare, Levent Toppare, Levent Toppare, Levent Toppare Cansel Tuncer, Yasemin Samav, Damla Ülker, Şerife Betül Baker, Ahmet Çabuk, Vural Bütün Mario Malinconico, Giovanna Gomez D'ayala, Paola Laurienzo, Gianfranco Peluso, Orsolina Petillo, Anna Calarco Şevki Can Cevher, Naime Akbaşoğlu, Levent Toppare, Levent Toppare, Levent Toppare, Levent Toppare, Ali Çırpan, Ali Çırpan, Ali Çırpan, Ali Çırpan Hande Ünay, Naime Akbaşoğlu Ünlü, Levent Toppare, Levent Toppare, Levent Toppare, Levent Toppare, Ali Çırpan, Ali Çırpan, Ali Çırpan, Ali Çırpan Damla Ülker, Cansel Tuncer, Serife Betül Baker, Ahmet Cabuk, Vural Bütün Duangta Tongsakul, Harnchana Gatemala, Kanet Wongravee, Chuchaat Thammacharoen, Sanong Ekgasit Jin Wook Min Diana Dudare, Maris Klavins Yagmur Cavusoglu, Güralp Özkoç, Nurseli Uyanık Berta Ines Delgado Fajardo, Angelica Maria Garzón Fontecha, Jhoan Andres Samaca Martin

2643

Nanotechnology in Colombia

P-0726

2078

P-0722

1912

P-0727

2195

P-0721

1805

P-0238

139

Determination of zeta potential surface of nanoporous polymer membranes Protection Efficiency Of Polyaniline Films Electrochemically Deposited On Mild Steel In Phosphonium Ionic Liquid Media Characterization of surface charge density of Polymer membranes Preparation of chromophoric Schiff base polyethylenimine gel and investigation of their photo physical properties Ultradrawing Properties of Novel Ultra-high Molecular Weight Polyethylene Nanocomposite Fibers filled with Bacterial Cellulose Nanofibers

P-0239

140

Ultradrawing Properties of Novel Ultra-high Molecular Weight Polyethylene Nanocomposite Fibers filled with Nanoalumina Particles

Edwin Alexander Robayo Chaparro, Berta Ines Delgado Fajardo Yamina Hanafi, Kamal Baddari, Anthony Szymczyk, Fatima Zibouche Sinem Ortaboy, Elif Türker Acar, Gülten Atun Yamina Hanafi, Kamal Baddari, Anthony Szymczyk, Fatima Zibouche Salih Zeki Yildiz, Pınar Şen, Ayşe Özgül Tezgel, Levent Inceli Jen Taut Yeh, Wei Hua Yao, Chih Chen Tsai, Chuen Kai Wang, Jhih Wun Shao, Chung Hao Hsu, Chi Hui Tsou, Ming Zheng Xiao, Xiao Ming Deng, Li Cui, Su Chen Chen, Jen Taut Yeh Jen Taut Yeh, Chih Chen Tsai, Chuen Kai Wang, Dao Huan Ren


P-0717


P-0728

Abstract no: 1198

P-0729

1212

P-0730

1222

P-0731

1278

P-0732

1321

P-0733

1357

P-0734

1360

P-0735

1362

P-0736

1367

P-0737

1369

P-0738

1499

P-0739

1502

P-0740

1506

P-0741

1549

Title

Authors

Usage of IPN type hydrogels in Safranine-T removal from aqueous solutions: Effect of pendant group on removal efficiency Extractive Separation Of Glyoxylic Acid By Tridodecyl Amine And Trioctyl Amine In Different Solvent Waste water electroflotation treatment from surfactants, oil products and heavy metals impurities Water soluble Photostabilizers for Pesticides

Bahadır Mustafa Bulut, Serkan Emik, Tülin Banu İyim

Effect of pH in Hybrid Water Treatment of Tubular Ceramic Microfiltration and Polyethersulfone Beads Loaded with Titanium Dioxide Photocatalyst Amyloid fibrils as biosorbents for water pollutants removal Artificial Sweeteners as Emerging Contaminants: Levels in the Wastewater Treatment Plant of Athens, Greece Dynamics of Polyphosphate Release from Activated Sludge during Thermal and Ultrasonic Treatment Phosphorus and Aluminum Recovery from Sewage Sludge Ash by Acid Pre-treatment and Alkali Elution Capturing Carbon Dioxide with Organic Molecular Porous Materials New magnetically recoverable palladium metal catalyst supported on poly(1-oxo-trimethylene)magnetite Kinetics of Beckmann rearrangement of 4-hydroxyacetophenone oxime and acetophenone oxime catalyzed by TFA: a clean and reusable organocatalyst for industrial synthesis Analytical Determination of Metals and Nitrate Ion in Carraizo Lagoon and San Juan Water Treatment Plant in Puerto Rico Core-Shell MOFs for Carbon dioxide conversions

Aslı Gök, Ayşegül Gemici, Ş. İsmail Kırbaşlar, Hasan Uslu Galina Bondareva, Olga Vorobyeva, Artem Kolesnikov Gautam Maheshbhai Patel, Pradeep Tryambakrao Deota Jin Yong Park, Sung Taek Hong

Wai Hong Leung Maroula G. Kokotou, Nikolaos S. Thomaidis Dong Jin Kim, Hyeok Yil Kwon, Min Wook Kim, Seong Jun Cho Dong Jin Kim, Battsooj Munkhjargal Meral Arı, Adem Tekin Andrea Vavasori, Leonardo Ceccardi, Claudio Tortato, Giuseppe Quartarone, Lucio Ronchin Elia Rancan, Lucio Ronchin, Claudio Tortato, Andrea Vavasori, Giuseppe Quartarone

POSTER SESSION - II

Pub. No.

Gabriel A infante, Yesenia López, Alexandra Colón, Lee Vera Jungseok Heo, Young Hoon Kim, Sung Min Kim

77

3rd Day / 13.08.2013 / Tuesday POSTER SESSION - II

P-0742

1579

P-0743

1583

P-0744

1618

P-0745

1660

P-0746

1662

P-0747

1680

P-0748

1728

P-0749

1737

P-0750

1781

P-0751

1789

P-0752

1874

P-0753

1877

P-0754

1905

P-0755

2054

P-0756

346

P-0757

2089

P-0758

2973

P-0759

1537

P-0760

1999

P-0761

1879

P-0762

2039

P-0781

3031

Synthesis, Characterization, and Application of Short Oligo (Ethylene Glycol) Functionalized Dicationic Room Temperature Ionic Liquids Associated with Two Different Cations and Lewis and Bronsted Acidic Anions Efficient Conversion of Carbohydrates (Fructose and Sucrose) into 5-Hydroxymethylfurfural in Pyridinium Dicationic Ionic Liquid 1,3-dipolar cycloadditions catalyzed by horseradish enzymes Extractive Separation Of Nicotinic Acid By Tridodecyl Amine And Triisoctyl Amine In Different Solvent Selective Metal Complexation of Novel Dendritic Macromolecules Sustainable Synthetic Approaches Toward ShapeControlled Nanoscale Materials Metal Content Determination of Water Sources Around Oil Production Areas in Diyarbakir Electricity generation planning and plug-in hybrid electric vehicles: Different charging sceanrios Antibacterial Cellulose Synthesis from Sunflower Waste Studying the effects of man-made disturbance in a pilot-plant scale wastewater treatment plant Mechanical and thermal properties of Nanohydroxyapatite reinforced 2-hydroxyethylcellulose films One-Pot Synthesis of Disperse Dyes Under Microwave Irradiation: Dyebath Reuse in Dyeing of Polyester Fabrics Effect of light-weightening aggregates (perlite and seashells) on mechanical and physical properties of self -consolidating concretes(SCC) Value-Added Chemicals from Glycerol Microwave- Assisted Conversion of Glycerol To Heteroaromatics Food simulants and epoxy coating can interactions, effect of temperature and chemical composition of simulants Removal of pesticides from aqueous solution trough adsorption on algerian bentonite Preparation of Graphene Oxide/Titanium Dioxide Nanocomposites and Its Adsorption for As(III) ions Water Quality Index for River Kosi System at Rampur (U.P.) India Antibacterial activity of different extracts of Daucus Carota canopy Use of supported heteropolyanions on TiO2 as catalyst for degradation of benzene derivatives Protein Recovery by Ultrafiltration during Isolation of Chitin from Shrimp Shells Parapenaeus Longirostris Agrochemicals and Sustainable usage of Natural Resource

Hern Kim, Arvind H. Jadhav

Hern Kim, Amutha Chinnappan Ioana Otilia Ghinea, Bianca Furdui, Georgiana Parfene, Gabriela Bahrim, Rodica Mihaela Dinica Ayşegül Gemici, Ş. İsmail Kırbaşlar, Aslı Gök, Hasan Uslu A. Serol Ertürk, Mustafa U. Gürbüz, Tezcan Paralı, A. Emin Bozdoğan, Metin Tülü Clara P. Adams, Sherine O. Obare Hatice Kara, Zeki Tünay, Hamdi Temel, Orhan Kavak L. Ahmada, A. Elkamel, E. Croiset, P. Douglas, E. Entchev Nurten Uzun, Oya Atıcı Laura Jurecska, Barkács Katalin, Róbert Löcsei, Imre Tóth, Nikolett Szilágyi, Gyula Záray Burak Arpak, Fatma Özge Gökmen, Nursel Pekel Bayramgil Alya M. Al Etaibi, Morsy A. El Apasery, Huda M. Mahmoud, Nouria A. Al Awadi Erjola Reufi, Jozefita Marku Duygu Bayramoglu, Mustafa Güllü Chafia Zeddam, Khadidja Djelloul, Atika Amara1, Karim Ait Ali Djazi Faycal, Bougdah Nabil, Zaghdoudi Rachida Zuleyha Ozlem Kocabaş Ataklı, Yuda Yürüm Ashish Kumar, Yogendra Bahadur Nabila Helmy Shafik, Reham Ezzat Shafek, Helana Naguib Michael Chafika Bougheloum, Nadia Djouambi, Robila Belguiche, Abdelrani Messalhi Benhabiles Mohamed Salah, Drouiche Nadjib, Pauss André, Goosen Mathius, Mameri Nabil Kakha Nadiradze, Nana Phirosmanashvili

Life Chemistry / LC-P-02 Pub. No. P-0782

78

Abstract no: 1491

Title

Authors

A first approximation to the 3D structure of Smo receptor

Cristian O Salas

P-0784

1534

P-0785

1595

P-0786

1614

P-0787

1647

P-0788

1655

P-0789

1664

P-0790

1686

P-0791

1755

P-0792

1780

P-0793

1889

P-0794

1928

P-0795

1946

P-0796

2009

P-0797

2060

P-0798

2062

P-0799

2150

P-0800

2162

P-0801

2163

P-0802

2229

P-0803

2244

P-0804 P-0805

2245 2246

P-0806

2253

Preparation of Stigmast-5-en-3β-ol Derivatives and Investigation of Their Antioxidant and Anticholinesterase Activities New Insights on HIV Vaccine Development: Glycan Clustering Effect in gp120 Synthesis and Investigation of Some β- Lactam Derivatives as Antimicrobial Agents In vitro Anticholinesterase Activity of Various Extract of Some Mushroom Species in the Anatolia Phenolic compounds provides reason behind pinto bean color changes Development of pH Sensitive Solid-State Electrodes for Potentiometric Lactate Determination Towards understanding of synergy between (poly) phenolic chain-breaking antioxidants: The role of pH Synthesis, Characterization and DNA Binding Studies of two novel Ga (III) Porphyrin complexes Antiproliferative Activity Of Chelating N,O- And N,N-Ruthenium(II) And Osmium(II) Arene Low Generation Metallodendrimers Data mining and re-evaluation of protein data sets Investigation of The Association Between Genetic Polymorphism of Microsomal Epoxide Hydrolase Enzyme and Primary Brain Tumor Incidence Master AMT Database Approach for Label-Free Quantitation (MAD4QUAN): Application to Uncover Biomarkers for Diabetes Mellitus Type 2 Development of Au-catalyzed Domino Reaction toward Biologically Important Alkaloids Base damage immediately upstream from doublestrand break ends is a more severe impediment to nonhomologous end joining than blocked 3'-termini Biological Stabilization Studies of 68Ga-DOTANOC Peptide via in vitro Blood and Urine Samples by Using HPLC Analysis A Pharmaceutical Radiochemical Agent 99MtcBromo-Hida Kit Preparation And Quality Control Via C-18 Sep-Pak Cartridges And Thin-Layer Chromatography For Radioimaging Identification of 3-acyl-2-phenylamino-1,4dihydroquinolin-4-one Derivatives as Inhibitors of the Phosphatase SerB653 in Porphyromonas gingivalis, Implicated in Periodontitis Enzyme Inhıbıtıon Of FluoroacetylatedDhydrofuran Derıvatıves By Trypsın Investigation Influences of Antibiotics on NADPH Oxidation Activity of human platelet nitric oxide synthase Phytochemistry study from the leaves of Borrago Officinalis L. "borage" Structurally conserved motifs in pharmacologically relevant class B and C G-protein-coupled receptors (GPCR) A potential strategy for GPCR de-orphanization The effect of the CoQ10 on the lipid peroxidation, antioxidant profile and some biochemical parameters in rats induced with bleomycin evaluation of anti-microbial, cytotoxicity and anticancer activities of the fractions and compounds isolated from albizia ferruginea (mimosoideae)

Burcu Çulhaoğlu, Gülaçtı Topçu Keigo Ito, Robert J. Woods Serpil Demirci, Serap Basoglu, Neslihan Demirbas, Ahmet Demirbas Gulsen Tel, Ebru Deveci, Selcuk Küçükaydın, Mehmet Ozturk, Mehmet Emin Duru Paul Fenlason Hilmiye Deniz Ertuğrul, Sema Öztürk, Nihat Tınkılıç, İbrahim Işıldak Ewelina van Wenum, Grzegorz Litwinienko Konstntina Nektaria Kipreou, Michail Kaplanis, Christiana A. Mitsopoulou Banothile C. E Makhubela, Mervin Meyer, Gregory S Smith


1520

Sevil Aksu, Sevilay Cengiz, Fatmagül Tanrikulu, Peter Roman Jungblut Ali Aydın, Hatice Pınarbaşı, Mustafa Gürelik Sang Won Lee, Su Jin Kim, Seung Hoon Back, Hangyeore Lee Kenji Sugimoto, Nozomi Yamamoto, Yuya Hoshiba, Daishiro Minato, Yuji Matsuya Kamal Datta, Shubhadeep Purkayastha, Ronald Daniel Neumann, Elzbieta Pastwa, Thomas Andrew Winters Rumeysa Özcan Tutar, Levent Kabasakal, Emre Demirci, Aslan Aygün, Meltem Ocak, Bedii Kanmaz Rumeysa Özcan Tutar, Aslan Aygün, Meltem Ocak, Levent Kabasakal, Gülten Atun, Ahmet Araman, Bedii Kanmaz Seung Jun Kim, Suk Kyeong Jung

Asli Ustalar, Sevgi Nalbantoğlu, Mehmet Yılmaz, Neslihan Şaki Zuhal Alım, Şükrü Beydemir Gloria Eva Tomas Chota, Juana María Huaman Malla, Rosa Virginia Aguirre Medrano, Jose Paul Monteza Basaldúa, Flor Rocío Palacios Baldeón Liliana Ostopovici Halip, Cristian G Bologa

POSTER SESSION - II

P-0783

Liliana Halip, Cristian G Bologa Fatih Çağlar Çelikezen, Ali Ertekin Justin Kamga, Nazli Boke Sarikahya, Bonaventure Tchaleu Ngadjui, Suheyla Kirmizigul 79


P-0807

2342

P-0808

2363

P-0809

2383

P-0810

2392

P-0811

2415

P-0812

2420

P-0813

2425

P-0814

2907

P-0815

1522

P-0819

1872

P-0826

2365

Theoretical Conclusions from Proteomics Data of Different Identification Approaches for the Protein Class: Transferases antibacterial effect of new synthetic peptides against escherichia coli o157:h7 and methicillinresistant staphylococcus aureus (mrsa) Metabolism of Isoflavone Glycosides from plant extract by Human Intestinal Bacteria The Effect of Quercetin on Oxidative Stress Induced in Rats Vascular Tissue of 2,3,7,8-TCDD (Tetrachlorodibenzo-P-Dioxin) Expression and Characterization of a Thermo and Solvent Stable Thiolase for Improved Butanol Biosynthesis Mining of the Helicobacter pylori data in the 2D-PAGE database system at MPIIB at the protein species level Comparison of the Accessibility of TCA Cycle Proteins with Different Sample Preparation Approaches Integration of Ligand and Structure-Based Virtual Screening for Identification of Leading Anabolic Steroids Identification of extract responsible for the hypoglycemic activity the fruit of Solanum sessiliflorum (cocona) and evaluation phytochemical Antioxidant activity of heterocyclic pyrimidinium betaines A Tunable Fluorescence Nanoplatform Responses To Temperature And Ph With Graphane Oxide And Bodipy –Conjugated Polymer For Cancer Detection And Treatment

Sevilay Cengiz, Sevil Aksu Marlon Yesid Cáceres Ortiz, Rodrigo Gonzalo Torres Sáez, Claudia Cristina Ortiz López Mihyang Kim, Jaehong Han Oğuz Çakır, İlknur Özdemir Meltem Kutlu, Steven Reisse, Thomas Brueck Sevil Aksu, Sevilay Cengiz, Fatmagül Tanrikulu, Peter Roman Jungblut Sevil Aksu, Sevilay Cengiz, Fatmagul Tanrikulu, Peter Roman Jungblut Yoanna María Álvarez Ginarte, Luis Alberto Montero Cabrera, José Manuel García De La Vega, Alberto Bencomo Martínez, Amaury Pupo, Alina Agramonte Delgado, Yovani Marrero Ponce, José Alberto Ruiz García, Hans Mikosch Maritza Grandez, Nara María Rivadeneyra, Jorge Antonio Suarez, Daniel Diomedes Carrasco, Patricia Utia, Laura Rosa García, Rosa Isabel Souza, Reyna Gladys Cardenas Malki Fatiha, Touati Abdelkader Tamim Mosaiab, So Yeong Lee, Eui Sang Yoo, Sung Young Park


POSTER SESSION - II

Pub. No.

80

P-0827

Abstract no: 1231

P-0828

1233

P-0829

1244

P-0830

1277

P-0831

1308

P-0832

1318

P-0833

1325

P-0834

1345

P-0835

1346

P-0836

1349

Title

Authors

Synthesis of 4-phenyl-2,5-di(thiophen-2-yl)-4,5dihydrofuran-3-carbonitrile and investigation of its electrochromic properties On the role of adagulation in sol-gel synthesis of CuO and Co3O4 supported catalysts

Ufuk Abacı, Mehmet Yılmaz, Yüksel Güney

Hydrothermal Synthesis, Structure And Photoluminescence Property of A Novel 3D Cd(Ii)-Mof Constructed From Pyridine-2,3Dicarboxylate Ligand Poly(ethylene glycol) Gels; Synthesis and Swelling Properties Effects of Cross linker and Oxygen Plasma Exposure Time on the Buckling of PDMS Effect Of Various Cation Substitutions On The Structure And Electrochemical Properties Of Mn Based Olivine Materials Controlled Growth of Vertically Aligned Silicon Nanowires and Their Applications High Capacity Layered- Spinel Composite Cathode Active Materials for Li-ion Batteries Electrochemical Characterization of Vanadium Doped LiMn2O4 Cathode Active Nanoparticles Protein detection using aqueous/LC interfaces decorated with a novel poly(N-isopropyl acrylamide) block liquid crystalline polymer

Oxana Yarovaya, Anton Kalmykov, Ulyana Mostovaya, Irina Andrushchak, Viktoriia Saveleva, Victor Nazarov Fatih Semerci, Okan Zafer Yeşilel, Ertan Şahin

Ilker Yati, Koksal Karadag, Hayal Bulbul Sonmez Mariamu Kassim Ali, Figen Ece Demirer, Gozde Ozaydin Ince Docheon Ahn, Tae Joo Shin, Ha Na Won, Jeong Hui Son, Si Hyang Choi Yi Seul Park, Da Hee Jung, Jin Seok Lee Emrah Bulut, Mustafa Can, Mahmut Özacar Emrah Bulut, Mustafa Can, Ahmet Örnek, Mahmut Özacar Soo Young Park, Young Dae Jung, Mashooq Khan, Muhammad Omer

P-0838

1396

P-0839

1398

P-0840

1406

P-0841

1413

P-0842

1416

P-0843

1428

P-0844

1435

P-0845

1464

P-0846

1489

P-0847

1513

P-0848

1559

P-0849

1563

P-0850

1572

P-0851

1574

P-0852

1593

P-0853

1602

P-0854

1603

P-0855

1613

P-0857

1701

P-0858

1702

P-0859

1770

P-0860

1777

The Preparation and Characterization of Dual Stimuli-responsive Novel Triblock Copolymers Comprising Azobenzen Substituted Polyrotaxane Middle Block Flanked by PNIPAAm Blocks Dendritic Luminescent Gold(III) Complexes for Highly Efficient Solution-Processable Organic Light Emitting Devices Novel Electrochromic and Magnetic Ionic Liquids Bionanocomposite Synthesis Of Chitosan-G-Pan/ Boron Mineral Synthesis of Polystyrene-b-Poly(ethylene glycol) by Combination of ATRP and RAFT Polymerization Methods Surface-Esterified Cellulose Nanofibers: Ecofriendly Synthesis, Application for Reinforced Materials Fabrication of Stimuli Responsive Polymer Nanotubes using Icvd Theoretical Description of the Stability of the V12B18O60H6-n System Synthesis, Characterization, and Antiproliferative Activity of a Novel Modified Poly(maleic anhydride-co-vinyl acetate) / Doxorubicin Couple Influence of rare-earth ions doping on the structure and properties of bismuth ferrite obtained by combustion method New green reverse electrochemical technique for efficient synthesis of stable chitosan-silver nanoparticles Effects of Surface Treatment using Electron Beam Irradiation on Soft Carbon for Li Rechargeable Batteries Synthesis and Characterization of Anthraquinone Based Polybenzoxazines Synthesis and Oled Applications of Tetraphenylethene-Based Compounds: Having Excellent Aggregation Induced Emission Properties Photochromism of Naphthopyran Dye in OrganoSilsesquioxane Thin Films A Versatile Route For The Synthesis Of Functional Polycarbonates Having O-Nitrobenzyl And Allyl Groups The Effect of Stirring Rate on ATRP of Styrene Monomer High refractive index film prepared from hydrous titanium dioxide in organic solvents An Ultrahigh-mobility Polymeric Semiconductor Superior to Amorphous Silicon-based Semiconductors Electrochemical Synthesis of Thermoelectric Nanostructured Bi2-xSbxSe3 Thin Films Synthesis of SnSb Based Alloys as Anode for Lithium-ion Batteries by Electrodeposition Process Electronic Properties of Three New Polyoxovanadoborate Compounds Alkaline Ions Acting As Connectors And Countercations In The Crystalline Lattice Of Polyoxovanadoborates

Lin Ye, Xiaoqiong Liu, Aiying Zhang, Zengguo Feng Man Chung Tang, Daniel Ping Kuen Tsang, Maggie Mei Yee Chan, Keith Man Chung Wong, Vivian Wing Wah Yam Luis Branco, Noemi Jordão, Luis Cabrita, Luisa Maia, Fernando Pina Nermin Simge Oztekin, Oya Atıcı Mustafa Arslan, Yusuf Yagci, Görkem Yilmaz Min Wu, Pei Huang, Shigenori Kuga, Yong Huang Parveen Qureshi, Ali Tufani, Gozde Ozaydin Ince Walter Cañon Mancisidor, Evgenia Spodine, Diego Venegas Yazigi Gulderen Karakus, Ayse Sahin Yaglioglu


1395

Andreea Iulia Iorgu, Florentina Maxim, Cristian Matei, Daniela Berger Ibrahim M El Sherbiny, Afaf Sarhan, Fikry M Reicha Ja Hwa Ahn, Byung Cheol Lee, Sang Ick Lee, Kanamura Kiyoshi Cansu Aydoğan, Barış Kışkan, Yusuf Yağcı Serhat Odabaş, Figen Türksoy, Cihangir Tanyeli

Mat Tamizi Zainuddin, Samsul Azrolsani Abdul Aziz Nazri, Noor Zalikha Mohamed Islam, Mohamad Zahid Abdul Malek Elif Baysak, Nese Cakir, Umit Tunca, Gurkan Hizal Buket Alkan, Metin Hayri Acar Seung Koo Park, Jin Wook Shin, Chul Woong Joo, Jonghee Lee, Joohyun Hwang, Jaehyun Moon, Jong Tae Lim, Doo Hee Cho, Jin Woo Huh, Nam Sung Cho, Jun Han Han, Jeong Ik Lee Il Kang, Jong Jin Ha, Gi Beck Lee, Gwang Hoon Park, Youn Lim Yu, Yun Hi Kim, Soon Ki Kwon Mustafa Biçer, Muhammet Arpacık, Oktay Tekir, Melike Can, İlkay Şişman Muhammet Arpacık, Mustafa Biçer, İlkay Şişman

POSTER SESSION - II

P-0837

Diego Venegas Yazigi, Karina Muñoz Becerra, Eric Le Fur, Jean Yves Saillard, Samia Kahlal, Veronica Paredes Garcia, Evgenia Spodine Diego Venegas Yazigi, Patricio Hermosilla Ibañez, Juan Costamagna, Andres Vega, Veronica Paredes Garcia, Eric Le Fur, Maria Teresa Garland, Evgenia Spodine 81


P-0861

1837

Synthesis of Donor and Acceptor (boron) Containing Polymers for OLED Applications Thermal properties of thermoplastic polyurethane/nano-hbn composites Synthesis and Electropolymerization of Novel Quinoxaline Functionalized Pyrrole and Optoelectronic Properties of its Polymer A printable ambipolar diketopyrrolopyrroleselenophene polymer with unprecedentedly high hole and electron mobilities

P-0862

1935

P-0863

2040

P-0864

2048

P-0865

2055

P-0866

2153

P-0867

2154

P-0868

2165

P-0869

2172

P-0870

2308

1,3-Dipolar Cycloaddition Reactions for the Efficient Functionalization of Carbon Nanotubes

P-0871

1745

P-0872

1844

Significant Sensitivity and Stability Enhancement of Tetraphenylporphyrin-Based Optical Oxygen Sensing Material In Presence of Perfluorochemicals A study of pharmaceutical substance crystallization into a microfluidic system

P-0884

1711

P-0885

1740

P-0888

1810

P-0453

1166

P-0454

1182

Synthesis Characterization and Applications of Fluorinated Urethane Acrylate Based UV-Curable Coatings Novel hybrid nanodevices for in situ cytotoxic generation in antitumoral therapy Light-responsive nanosystems for antitumor therapy A brief history of coordination polymers and metal-organic frameworks, and presentation of the IUPAC 2013 recommendations on terminology Preparation and Characterization Of Ethylenediamine Modified Nonwoven Fabric

Facile Completely Green Synthesis of Small Sized Maltose Reduced Silver Nanoparticles Synthesis, characterization & initial evaluation of aromatic polyimides as biomaterials Parametric Study on Dimensional Control of ZnO Nanowires by Electrochemical Deposition for photovoltaic applications The research and application of Maleic anhydride grafted onto plasma modification of high-density polyethylene - Biodegradable plastics Nano graphite sheet with ultrasonic treatment and its nanocomposite in EMI Shielding

Onur Şahin, Turan Öztürk, Turan Öztürk Emrah Çakmakçı, Selma Çakır, Ali Durmuş, Memet Vezir Kahraman Gülbin Kurtay, Metin Ak, Mine Sulak Ak, Levent Toppare, Mustafa Güllü Changduk Yang, Junghoon Lee, A Reum Han, Jonggi Kim, Yiho Kim, Kyu Cheol Lee, Dohyuk Yoo, Gitish K. Dutta, Shanshan Chem, Gyoungsik Kim, Joon Hak Oh Tuba Çakır Çanak, Ersin Serhatlı Alejandro Baeza, Eduardo Guisasola, Gustavo J Melen, Manuel Ramirez, Maria Vallet Regí Marina Martinez Carmona, Alejandro Baeza, Montserrat Colilla, Maria Vallet Regí Lars Öhrström Cengiz Kavaklı, Pınar Akkaş Kavaklı, Kemal Mullaoğlu, Serhad Tilki, Esra Gökoğlu, Olgun Güven Alberto Brandi, Stefano Cicchi, Luisa Lascialfari, Claudia Vinattieri, Giuliano Giambastiani, Andrea Rossin, Giulia Tuci, Fabrizio Machetti Sevinç Zehra Topal, Emel Önal, Kadriye Ertekin, Ozlem Oter, Ayşe Gül Gürek, Catherine Hirel Guemras Nadjet, Guemras Nadjet, Guemras Nadjet, Guellati Amel, Lounis Feriel Meriem, Veesler Stéphane, Daoud Kamel Oluwatobi Samuel Oluwafemi, Akhona Gura, Vuyelwa Ncapayi, Sandile Phindle Songca Humaira Masood Siddiqi, Ghulam Waris, Rizawan Hussain, Muhammed Shahabuddin, Sheila Macneil, Lawrence Twyman Abdellah Henni, Amina Karar, Abdellah Merrouche, Laid Telli Chi Yuan Huang Chi Yuan Huang

Chemistry Education / CE-P-01 Pub. No. P-0903

Abstract no: 177

P-0904

179

P-0905

247

P-0906

248

Title

Authors

Implementation of Environmental Education, Green Chemistry Concept and Education for Sustainable Development in Russian Federation. Example of D. Mendeleyev University of Chemical Technology of Russia Teaching Chemistry “Backwards” In Guatemala: A Constructivist And Cognitive Strategy For Teaching Students With No Previous Knowledge Of Science Science Teacher’s “Substance And Change” Learning Area Activities Application Levels And The Difficulties Encountered In Application The Relations Between Primary School PreService Teachers’ Operational Chemistry Problems Solving Skills And General Chemistry Academic Success

Anna Dodonova, Natalia Tarasova

Francisco Javier García, Francisco Maximiliano Estrada, Jorge Luis Samayoa Fatma Gülay Kırbaşlar, Zeliha Özsoy Güneş, Itır Zeynep Yaşar, Ayfer Karadaş Fatma Gülay Kırbaşlar, Naciye Elif Bilir

717

P-0908

740

P-0909

1130

P-0910

1164

P-0911

1030

P-0912

1183

P-0913

1243

P-0914

1247

P-0915

1316

P-0916

1377

P-0917

1470

P-0919

1451

P-0920

827

P-0921

459

The Effect of Creative Drama Activities on Sixth Grade Students’ Understanding of Particulate Nature of Matter Inquiry Based Laboratory Activities in General Chemistry Lesson Development of Laboratory Safety Standard Documentation and Its Implementation to Metal and Trace Elements Testing Laboratory How to motivate young educators to create and to use new educational tecnologies? Keto- Enol Tautomerism of Schiff-bases derived from 2-Hydroxy- naphthylidene and substituted aniline with Lanthanide shift reagent Pr(fod)3 Testing as a method of control of students` knowledge of physical and colloid chemistry: possibilities and limitations Latvian chemistry teachers, skills of organization students, collaboration during scientific inquiry at school Workshops on creating items concerning scientific method in chemistry Informal virtual medium for chemistry learning and teaching in Latvia Mathematical content of chemistry olympiads and entrance examinations in chemistry A writing course for college students to communicate global warming to the public Breaking the paradigm: news laws new world Adaptation of the “Fundamentals of Analytical Chemistry” Course to the Educational Model of the UANL CALCIUM HYPOCHLORITE - Innovative methods of neutralization

Selcin Demirag, Burcin Acar Sesen Ayfer Karadas, Burcin Acar Sesen Paweena Kreunin, Duangkamol Chousrimud, Benchaporn Borisuthi Myasoedova Tatiana Genrihovna, Yarovaya Oxana Victorovna Layla Mohamed Nageb, Raida Hmed Sultan Myasoedova Tatiana Genrihovna, Bondareva Galina Mikhailovna, Gavrilova Natalia Nikolaevna, Scherbakov Vladimir Vasilievich Jelena Volkinsteine, Jazep Logins, Janis Svirksts


P-0907

Marcin Mariusz Chrzanowski, Joanna Lilpop, Irmina Buczek, Malgorzata Musialik, Barbara Ostrowska Mihails Gorskis Elizaveta Anatolevna Belevtsova, Oxana Nikolaevna Ryzhova, Nikolay Egorovich Kuz’menko Chi Chin Chin, Hsiao Lin Tuan Carlos Andres Rodriguez Castro, Ginneth Lorena Raño Ayala, Berta Ines Delgado Fajardo Elsa Guadalupe Ramirez Villarreal, Angelica Margarita Romero De León Sonja Stefanov, Rade Biocanin, Mirjana Vojinovic, Bozo Banjanin

Chemical Industry and Innovation/ CII-P-02

P-0922

Abstract no: 2359

P-0923

2613

P-0924

2692

P-0925

2212

P-0926

1086

P-0930

2704

P-1420

2701

P-0932

159

Title

Authors

Surface modification of silica with silane coupling agent for enhancing its dispersion in rubber composite Slurry Hydrocracking Reactions Of Aromatic Model Compounds Effect of Operational Parameters on Spray Freeze Drying Equilibrium and kinetic modelling of binary biosorption of cr (iii) and bleu basic 41 onto dead streptomyces rimosus Oxidative desulfurization of the kerosene Jet-A1 and Gasoil: Influence of the solvent extraction treatment The Investigation of Slurry Hydrocracking Reactions of Iranian Asphaltene The Investigation of Slurry Hydrocracking Reactions of Iranian Heavy Oil Resid Influence of temperature to the hydrocracking process of tar in the presence of suspended nanosized catalysts

Jung Whan Yoo, Cho Won Jo Pegah Amiri Çağlayan, Solmaz Akmaz Ebubekir Sıddık Aydin, Ozgun Yucel, Hasan Sadikoglu Fatiha Atmani, Nacera Yeddou Mezenner, Hiba Kais, Farid Medjene, Zahra Sadaoui Yamina Boukoberine, Said Bouhabila, Abdelhafid Kadri, Meriem Fellahi, Yamina Djaoui, Boudjema Hamada Savas Gurdal, Solmaz Akmaz, Kadir Yilmaz, Mert Haktanir, Muzaffer Yasar Mert Haktanir, Kadir Yılmaz, Solmaz Akmaz, Savas Gürdal, Muzaffer Yasar Gulbeniz Muhtarova, Nazile Efendiyeva, Zaira Gasimova, Hikmet Ibrahimov, Vagif Abbasov

POSTER SESSION - II

Pub. No.

83


Symposium I - Preserving Water Resources Pub. No. P-0934

Abstract no: 1463

P-0935

2266

P-0936

2749

P-0937

1577

P-0939

2708

Title

Authors

Development of Effective Chemical Treatment of Brine for Inland Desalination with Zero Liquid Discharge Aplication of 2k factorial design in the adsorption of indigo carmine dyes using Solen Marginatus Adsorption of heavy metals on activated carbon prepared from a lignocellulosic materials Study of methylene blue removal from aqueous solution by the natural, plentiful and low-cost biosorbent dates’ pedicels Quality of drinking water in networks distribution, by the organic and mineral matter deposit effects from the plant treatment until the consumer case study treatment drink water plant –Boudouaou ”

Khaled Elsaid, Dema Almasri, A. Elkamel, Ahmed Abdel Wahab Feza Geyikçi, Semra Çoruh, Murat Çömezoğlu Nesrine Madani, Naima Bouchenafa, Amina Mofredj, Ourida Mohmmedi Rezzaz Yazid Hynda, Guendouz Nardjes, Saadaoui Zahra Messaoud_boureghda Mohamed Zine, Aksas Hamouche, Louhab Krim

Symposium II - Converting Biomass to Energy Pub. No. P-0940

Abstract no: 804

P-0941

1155

P-0942

1498

P-0943

2508

Title

Authors

Multifunctional additive package for solid fuels containing biogenic components Ionic liquid pretreatment of corn husk to enhance biofuel sugar recovery Production, Characterization and Application of Biodiesel Tucumã Originating from Amazon

Grazyna Zak, Leszek Ziemianski, Anna Duda, Michal Wojtasik Jenjira Phuriragpitikhon

Application of Electromagnetic Fields On Growth And Biomass Production Saccharomyces cerevisiae var. Rhone and Rv1

Nelson Namos Stradiotto, Maria V. B. Zanoni, Hideko Yamanaka, Wanderley J. Melo, Afonso Lopes, Marcelo F. Oliveira, Adelir A. Saczk, Zuy M. Magriottis Alveiro Alvarez Ovallos., Eliseo Amado Gonzalez

Symposium V - Bioavailability of Metals, Metalloids and Organic Contaminants in the Environment

POSTER SESSION - II

Pub. No.

84

P-0944

Abstract no: 454

P-0945

1054

P-0946

1055

P-0947

1260

P-0948

1760

P-0949

1839

P-0950

1842

P-0951

2483

P-0953

530

P-0955

2102

Title

Authors

Cadmium speciation in Jamaican soils

Richard E Hanson, Chareles N Grant, Leslie Hoo Fung, Robin Rattary, Adrian Spence Sibel Tunalı Akar, Okan Tuna, Yasemin Yetimoğlu Balk, Tamer Akar Fatih Sayın, Sibel Tunalı Akar

The Biosorption of Pb2+ Ions by a Magnetic Sorbent Prepared from a Natural Biomass Removal of Chromium from Aqueous Solution by Thamnidium elegans Biosorption applications of modified fungal biomass for decolorization of Reactive Red 2 contaminated solutions: Dynamic flow mode studies Detection, Identification and Structural Elucidation of Unknown Contaminants During a Routine Non Targeted Screening of River Water Samples Using a New Scientific Information System Batch Adsorption Conditions for Removal of from Aqueous Solutions onto Magnetically Modified Alunite and Adsorbent Characterization Citric Acid Modified Thuja orientalis Biomass for The Biosorption of Methylene Blue Dye Metal uptake and bioavailability: from soil to food through crops Adsorption-Desorption Study of Imidacloprid (Technical) in different) Type of Soils Arsenic chelation, the meeting of two kingdoms

Melike Divriklioğlu, Tamer Akar

Gérard Bondoux, Berna Oskay, Attila Sever, Antonietta Gledhill, Gareth Cleland

Sibel Tunalı Akar, Yasemin Yetimoglu Balk Sibel Tunalı Akar, Yasemin Yetimoglu Balk, Okan Tuna, Tamer Akar Zane Vincevica Gaile, Mara Stapkevica, Diana Dudare, Maris Klavins Kamlesh Kumar Vishwakarma Leonardo Pantoja Munoz, Diane Purchase, Huw Jones, Hemda Garelick

Pub. No. P-0956

Abstract no: 3010

P-0957

2896

P-0958

2901

P-0959

2931

P-1422

3056

Title

Authors

First-principles insights into hydrogenated amorphous silicon and interfaces with crystalline silicon N-Doped Graphene Nanoplatelets as Superior Metal-Free Counter Electrodes for Organic DyeSensitized Solar Cells

Merid Legesse Belayneh, Michael Nolan, Giorgos Fagas

Materials Design and Synthesis for Energy Storage and Catalysis Optimization of Electronic Transport at the Nanoscale through the Formation of Molecular Junctions within Composite Electrodes for Libattery Production of 1-propanol and 1-butanol from the mixture of MeOH and EtOH by Guerbet reaction in the presence of hydrotalcite

Jae Cheon Kim, Myung Jong Ju, Hyun Jung Choi, In Taek Choi, Sang Gyun Kim, Kimin Lim, Jaejung Ko, In Yup Jeon, Jong Beom Baek, Hwan Kyu Kim, Hyunwoong Park, Jae Joon Lee Hailiang Wang, Hongjie Dai, Gabor A. Somorjai Ali Yassin, Joel Gaubichier, Karine Triballier, Bernard Lestriez, Dominique Guyomard, Philippe Leriche, Jean Roncali, Philippe Blanchard Fadime Hosoglu, Jeremy Faye, Mickaël Capron, Franck Dumeignil


Clean Energy Through Chemistry / CETC-P-03


P-0968

Abstract no: 2099

P-0969

2174

P-0970

2248

P-0971

2251

P-0972

2277

P-0973

2282

P-0974

2411

P-0975

2486

P-0976

2492

P-0977

2494

P-0978

2524

P-0979

2569

P-0980

2699

P-0981

2700

P-0982 P-0983

2733 2748

Title

Authors

Monitoring of Degradation Process of Pesticide Amitraz and Characterization of Degradation Products in Quince and Cucumber Physicochemical Properties Prediction Colombian Crude Fractions from Structural Parameters Determined by FTIR-ATR Spectroscopy and Chemometric methods Adsorption characteristics, selectivity and usage of quercetin imprinted polymers Adsorption characteristics, selectivity and usage of caffeic acid imprinted polymers Profiling the Chemical Content of Tussilago Farfara L –leaves by GC-MS Analyses GC-MS Method For The Determination of the chemical content of Inula Oculus-Christi L. in hexane Phosphate Ion Sensors Based On Triazole Connected Ferrocene Moieties Removal of uranyl ions with cryogels having extreme characteristics produced from Quercus macrenthera gall's extract Adsorptive removal of tetracycline (TC) from aqueous environment by a new type of sorbent Dyeing And Tautomeric Properties Of 5-Pyrazolone Dyes On-line Preconcentration and Determination of Chromium by Flow Injection - Flame Atomic Absorption Spectrometry Study by Fluorescence of Calix[4]arenes Bearing Heterocycles with Divalent Metals: Highly Selective Detection of Pb2+ determination of some nutritive traces metal contamination in some spring and mineral waters in south eastern of anatolian by aas and icp-ms Determination of chemical and heavy metal contamination in some thermal waters in eastern and sout eastern of anatolian Environmental Risks of Insecticides Cholinesterase New Optical Boron Detection Method

Nihat Özcan, Süleyman Akman, Mustafa Özcan Lesly Viviana Meléndez, Enrique Mejía, Alexander Guzmán Şeyda Karaman Ersoy, Esma Tütem, Kevser Sözgen Başkan, Reşat Apak, Cevdet Nergiz Şeyda Karaman Ersoy, Esma Tütem, Kevser Sözgen Başkan, Reşat Apak, Cevdet Nergiz Dilara Başat, Fatih Çağlar Çelikezen, Engin Yılmaz, Murat Kürşat, Fatih Özoğul, İrfan Emre Dilara Başat, Fatih Çağlar Çelikezen, Murat Kürşat, Fatih Özoğul, İrfan Emre Osman Karagollu, Mesut Gorur, Fethiye Gode, Busra Sengez, Faruk Yilmaz Elif Bulut, Esra Bağda, Mehtap Erşan, Ebru Yabaş Feride Düğenci;, Esra Bağda, Mehtap Erşan, Efkan Bağda Emine Bagdatli, Nuket Ocal Mustafa Cittan, Gamze Çolak, Seda Yetim, Vedia Nüket Tirtom, Ayşe Dinçer, Ali Çelik Claudio Saitz, Cinthia Quiroga Campano, Horacio Gómez Machuca, Carolina Jullian, Julio Dela Fuente, Hernán Pessoa Mahana Muhammed Acar, Beşir Dağ, Ekrem Kaya, Abdulvahap Ertan

POSTER SESSION - III

Pub. No.

Muhammed Acar, Beşir Dağ, Ali Bigin Raafat Abdeldayyem Sergio P. C. Alves, Carlos Baleizao, Jose Paulo S. Farinha

85

5th Day / 15.08.2013 / Thursday POSTER SESSION - III 86

P-0984

2784

P-0985

2854

P-0986

2878

P-0987 P-0988

2924 3000

P-0989

3001

P-0990

607

P-0991

609

P-0992

1592

P-0993

2964

P-0994

2994

P-0995

2719

P-0996

2923

P-0997

3021

P-0998

2112

production and certification of chloramphenicol primary calibrant certified reference material ume crm 1301 Quantitative determination of polyanionic surfactants with film optodes using microtiter plate reader Quantitative Determination of Glyceryl Guaiacolate (Guaiphenesin) in Syrup Dosage Form and Human Plasma using HPLC-DAD New Alkaloids from Mitragyna speciosa An LC-MS/MS method for RDX, HMX and PETN analysis in soil matrix A determination method for Cyclophosphamide tracing in urines of drug-exposed hospital staff Electrokinetic and Rheological Characterization of Na-Bentonite Suspensions Containing Cationic Tetradecytrimethylammonium Bromide, Anionic Sodium Tetradecyl Sulfonate and Nonionic Brij 30 Surfactants Spectroscopic Investigation of Basic Red 9 and Acid Blue 25 Dyes In Hexadecyltrimethylammonium Bromide Micellar Solution: Determination of Binding Constants, Partition Coefficients and Thermodynamic Parameters Cumulative Characteristics of Azoxystrobin and Difenoconazole Residues in Ginseng over Three Consecutive Years Removal of Cr(VI) from waste water by using natural adsorbent prepared from agricultural biomass Protective effect of N-Acetylcysteine Amide (NACA), a novel antioxidant, against Paraquatinduced kidney toxicity System action of copper diacetate and triphenylbismuth diacetate on the arylation of a variety of heteroarylamine New Application Of Color Indicator In Qualification Of Malondiladhyde Using Spectrophotometric Technique Using Head-Washing Clay as a New Natural Adsorbent for Removal of Cd(II), Pb(II) and Ni(II) from Water Samples by Flame Atomic Absorption Spectrometry (FAAS) and Inductive Couple Plasma Atomic Emission Spectroscopy (ICP-AES) Inhibition of pancreatic lipase by secondary metabolites of Cascabela Thevetia

Kevser Topal, Ahmet Ceyhan Gören, Ilker Ün, Mine Bilsel, Nihal Zorlu Nedime Dürüst, Sibel Naç, Abdülkadir Acarca Aysel Küçük Tunca, Serkan Aydoğan Zulfiqar Ali, Hatice D Hatejae, Ikhlas A Khan Beril Anilanmert, Gülfidan Yenel, Resat Apak, Salih Cengiz Beril Anilanmert, Şefika Sertler, Fatma Çavuş, Salih Cengiz Bahar Kancı Bozoğlan, Sibel Tunç, Osman Duman

Osman Duman, Sibel Tunç, Bahar Kancı Bozoğlan

Kee Sung Kyung, Hyun Ho Noh, Jae Yun Lee, Jung Ah Do, Jae Ho Oh, Chan Hyeok Kwon, Moo Hyeog Im Gülçin Şengül Idil Karaca Acarı, Merve Goksin Karaaslan, Sevgi Balcioglu, Selam Gulgen, Burhan Ates, Ismet Yilmaz Miloudi Abdellah Behnaz Akbari, Mohammad Ebrahim Olya, Manoochehr Bahmaei Zahra Hassanzadeh Siahpoosh, Majid Soleimani

Jorge Luis Molina

Chemical Synthesis / CS-P-03 Pub. No. P-1019

Abstract no: 2567

P-1020

2606

P-1021

2615

P-1022

2783

P-1023

2788

Title

Authors

Determination of Anticancer Activity and Mechanism of Action of the New Quinoline Compound SO29 Synthesis, Characterization and Investigation of the Absorption Spectra of Substituted Azothiacalix[4]arenes Hydrothermal Synthesis Of Chitosan/Tio2 Composites And Photocatalytic Application Lactobacillus plantarum catalyzed regioselective conjugate addition of water to nitrostyrene Microwave assisted synthesis of novel tetrahydrothiazolo[3,2-C][1,2,3]triazoles by the reaction of aryl sydnones and 2-nitromethylenethiazolidine

Tuğba Kul Köprülü, Şaban Tekin, Salih Ökten, Osman Çakmak Güngör Canbulat Fatma Bilge Emre, Funda Sayılkan, Can Şimşek Melek Parlak, Ayhan Sıtkı Demir, Salih Özçubukçu Akın Sagirli, Yaşar Dürüst

P-1025

2792

P-1026

2793

P-1027

2795

P-1028

2843

P-1029

2847

P-1030

2848

P-1031

2865

P-1032

2258

P-1033

2936

P-1034

2937

P-1035

2947

P-1036

2948

P-1037

1641

P-1038

2957

P-1039

2960

P-1040

2961

P-1041

2993

P-1042

2996

P-1043

3019

P-1044

2418

P-1045

2951

P-1046

3036

P-1047

76

P-1048

480

P-1049

1188

P-1050

1633

Synthesis of novel uracil and o-benzosulfimide based heterocycles carrying 1,2,4-oxadiazolylmethyl group 1,3-dipolar cycloaddition of n-aryl sydnones to 1-(prop-2-ynyl)-1h-indole, 1-cyclopropylprop-2yn-1-ol and benzothiophene 1,1-dioxide Synthesis of novel 5-amino uracil derivatives carrying 1,2,4-oxadiazolylmethyl moiety Synthesis of New Pyrido[2,3-d]pyrimidine Derivatives Containing Indole Synthesıs new imine compounds and investigation of their spectroscopic and inhibitory properties The Effect Of The Gamma and Ultraviolet Radiation On The Micro Spherical PVC-PANI Composites The Preparation and Characterization of PEOPANI Conducting Gels Synthetic studies towards polycyclic bis-porphyrin functionalized supramolecular host systems The First Synthesis of Some Important Pyrazole Derivatıves Synthesis of New of Heterocyclic Azo Dyes and İnvestigated of Their Spectroscopic Properties Synthesis of New Heterocyclic Disazo Dyes Derived from Pyrimidone and İnvestigated of Their Spectroscopic Properties Synthesis and Characterization of Novel Ball-Type Phthalocyanine Compounds Synthesis and Characterization of Novel Phthalocyanines Substituted With 3,4-Dimethoxyphenyl Group synthesis and characterization of copper (ii) and nickel (ii) complexes containing nitro benzoyl hydrazones Phosphorus-Rich Transition Metal Complexes As Precursors For Metal Phosphides MPn

Besra Özer, Yaşar Dürüst Akın Sagirli, Yaşar Dürüst Besra Özer, Yaşar Dürüst Hilal Kuday, Fatih Sonmez, Mustafa Kucukislamoglu Pakize Sılku, Sevil Özkınalı, Zeynel Ozturk, Abdurrahman Asan Emel Coşkun Cemile Adiyaman Davor Margetic, Anamarija Briš, Pavle Trošelj


2791

Elif Korkusuz, Ismail Yıldırım Nesrin Şener, Selinay Erişkin, İzzet Şener Selinay Erişkin, Nesrin Şener, İzzet Şener Özcan Acar, Kenan Fethi Köylübay, Ümit Salan Kenan Fethi Köylübay, Selçuk Altun, Ümit Salan Hatice Başpınar Küçük

Aslihan Kircali Akdag, Santiago Gómez Ruiz, Peter Lönnecke, Réne Frank, Evamarie Hey Hawkins Synthesis and Assessment of Quinazolinone-Based Saffet Çelik Aziridine Diols as Chiral Ligands in the Catalytic Asymmetric Carbon-Carbon Forming Reaction Nevin Yılmaz, Ipek Osken, Turan Ozturk, Turan Synthesis of a new type Donor-Acceptor Ozturk copolymer for solar cell applications Mirjana Bukvic Krajacic, Tanja Poljak, Ivaylo Seco-derivatives of 15-membered azalides Jivkov Elenkov Mehmet Pişkin, Ayşe Aktaş, Mahmut Durmuş, Synthesis, photophysical and photochemical Zekeriya Bıyıklıoğlu properties of fluorinated zinc phthalocyanines Yeliz Koç, Özlem Özen Karakuş, Hasalettin The Synthesis and Characterization of Novel Deligöz Ionophoretic Azocalix[4]arenes Mantu Dorina, Moldoveanu Costel, Zbancioc Synthesis of new ionic liquids imidazole based Gheorghita, Stoian Ioana, Mangalagiu Ionel Mertcan Ozel, Ipek Osken, Turan Ozturk, Turan Synthesis and Properties of DithienothiopheneOzturk Benzothiadiazole copolymer for solar cell applications Gokce Merey, Olcay Anaç Metal Catalyzed Carbene Reactions of α,βConjugated Amides Eslam Reda El Sawy, Manal Shaaban Ebaid, Synthesis, antioxidant and anticancer activities of Heba Mohamed Abo Salem, Salwa El Hallouty, novel series of 4-methoxy, and 4,9-dimethoxy-5substituted furo[2,3-g]-1,2,3-benzoxathiazine-7,7- Adel Hamed Mandour dioxides Fawaz A Saad, James C Knight, Angelo J Co-ordinative properties of a tripodal trisamide ligand with a strong capped octahedral preference Amoroso, Benson M Kariuki Synthesis and characterizations of novel 3-oxo-3,4- İbrahim Evren Kıbrız, Mustafa Saçmacı, İsmail Yıldırım dihydro-2H-1,4-oxazine derivatives from some aromatic amines with 2-aminooxazole Thiohydrazone Complexes of Organotin(IV) with Rajeev Singh, Pratibha Chaudhary, Narender promising Anti-Corrosion and Bioactivity Results Kumar Kaushik


P-1024

87


P-1051

2395

P-1052

2493

P-1053

51

P-1054

691

P-1055

285

P-1056

297

P-1057

551

P-1058

580

P-1059

1908

P-1060

3050

P-1061

3052

P-1062

1158

P-1068

602

P-1069

682

P-1072

718

P-1079

1095

P-1095

1964

P-1112

2883

P-1113

2890

P-1114

2939

O-Alkylation of Isovanillin with Phase-Transfer Catalysis Using Dimeric Quaternary Ammonium Compounds Reactions of Some Nitrone Derivatives with Dimethylthiocarbamoyl Chloride Wells-Dawson Heteropolyacid as catalyst for the synthesis of N-acylsulfonamides Novel Synthesis, Antimicrobial, Antioxidant and Antitumor Evaluation of Imidazolyl Pyrazolopyridine Derivatives selective cyclopropanation tests on the 3-(but-3enyl)cyclohex-2-en-1-ol Opening of one or both rings o 1,1'-sulfony bis aziridines by various nucleophiles Synthesis of Oxidized 1,10- dichlorobenzo [c] Cinnoline, with some strained Molecules related to Biphenylene Models Experiment With Hemi Cyclone as Initial Target to the Synthesis of Caged Compounds Utility of Pyrimidine thiones in Synthesis of New mono- and di-heterocyclic Systems and their antimicrobial, pharmacological activities Synthesis And Antimicrobial Activity Of Novel Ag-N-Heterocyclic Carbene Complexes Synthesis and characterization by X-Ray of ruthenium complexes bearing imidazolidin-2ylidene Selective and sensitive turn-on Fluorescent sensing of Arsenite based on Cysteine fused Tetraphenylethene with AIE characteristics in aqueous media CAL-B catalyzed desymmetrization of 3-alkylglutarate: “olefin effect” and asymmetric synthesis of pregabalin Establishment of local facility for the synthesis of Active Pharmaceutical Ingredients (API): Synthesis of Zuclopenthixol Deaconate and Clarithromycin Behavior of the Dimédone in aqueous medium with respect to aldehydes differently substituted Study on the reaction of the formation of alkyl pyrimidiniumbetaines Synthesis and Characterization of Completely Soluble and Thermally Stable Conducting Polypyrrole via Inverse Emulsion Polymerization Synthesis and Catalytic Applications of Polyvinylimidazole-Ruthenium Alkylidene Complexes Ruthenium Mediated Practical Approach for Tandem Enyne Metathesis-Diels Alder Reaction and Cyclotrimerization Reaction of Alkynes Convenient Preparation of Aza-peptides and Hybrid Analogues

Mesut Boz, Sedat Semih Baştürk Hafize Çalışkan Özcan, Ömer Zaim Chafika Bougheloum, Robila Belghiche, Malika Berredjem, Abdelrani Messalhi Mohamed Abdel Aziz El Borai, Hala Fawzy Rizk, Mohamed Refai Sadek Halaimia Farhi, Dehmchi Farouk, Lakehal Imane Reginia Zine Ali Larkem, Hamama Boularaf Larkem Hamama Boularaf Larkem, Ali Larkem, Kamel Berrezac Mounir Salem, Magda Marzouk, Marwa Salem, Ghazala Alshibani Nevin Gürbüz, Zeynel Şahin, İlknur Özdemir, Selmai Günal, İsmail Özdemir Serpil Demir, Rukiye Zengin, Onur Şahin, Orhan Büyükgüngör, İsmail Özdemir Melek Bağlan, Serdar Atılgan

Hyun Joon Ha, Jae Hoon Jung, Doo Ha Yoon, Heesung Eum, Philjun Kang, Won Koo Lee Sajid Jahangir, Marvi Jabar, Nazia Rasheed, Salma Nazeer Nawal Khier, Mohamed Amari, Rachid Bechar, Fayrouz Abboub, Mokhtar Fodili, Pascal Hoffmann Malki Fatiha, Touati Abdelkader Sohail Mohammad, Salma Bilal, Sami Ur Rahman Solmaz Karabulut, Bengi Özgün Öztürk, Begüm Sarıarslan, Nursel Pekel Bayramgil Solmaz Karabulut, Begüm Sarıarslan, Bengi Özgün Öztürk Nader E. Abo Dya, Suvendu Biswas, Akash Basak, Ilker Avan, Khalid A. Alamry, Alan R. Katritzky


Abstract no: 2184

P-1120

2249

Title

Authors

Computational Investigation of New Potent Antagonists for the Glycine Binding Site of N-Methyl-D-Aspartate (NMDA) Receptor Electrochemical Determination of Lead and Cadmium Using High Density PVC Beads in Column Adsorption Studies

Deniz Akgül, Gülşah Çifci, Esra Bozkurt, Viktorya Aviyente Elif Türker Acar, Sinem Ortaboy, Gülten Atun

P-1122

2311

P-1123

2313

P-1124

2372

P-1125

2384

P-1126

2413

P-1127

2445

P-1128

2471

P-1129 P-1130

2497 2533

P-1131

2593

P-1132

2608

P-1133

2626

P-1134

2710

P-1135

2747

P-1136

2864

P-1137

2876

P-1138

2893

P-1139

2904

P-1140

2905

P-1141

2927

P-1142

2962

P-1143

3005

P-1144

3011

P-1145

549

A Computational Methodology To Study Interactions Of Dendrimer-Drug Complexes Synthesis and Characterization of Novel Poly(εcaprolactone)-Based Two-Armed Macromonomer, Macroinitiators and Block Copolymers via ROP and ATRP Synthesis and Characterization of Novel Initiators, Two-Armed Styrene, Methyl Methacrylate and Tertiarybutylacrylate Macroinitiators and Diblock Copolymers by using Atom Transfer Radical Polymerization Preparation of Photopatterned Poly(6-Azidohexyl Metacrylate) Brushes structural properties analyses of phosphonate metal organic framework Preparation Of Poly(N-(2-Hydroxypropyl) Methacrylamide)-G-Poly(Lactic Acid) Bottlebrushes Via Surface Mediated Raft Polymerization Activity Coefficients In Highly Saline Waters Relationship of Chemical Architecture and Agonist and Antagonist Activity of Ligands Binding to the NMDA Receptor Enzymeless Pesticide Biosensor Effect of temperature on thermodynamic of the ionic liquid Tetra – buthyl-phosphonium chloride + (acetone, methanol or 4-methyl-2-penthanone) Synthesis Of Nano-Batio3 Powder By Hydrothermal Method Computational Design of Oligothiphene and Oligoselenophene Based Solar Cells On Radio- and Photochemical Problems of Irradiation-Induced motor reactions Sonochemical Degradation of Diclofenac: Assessment of Reaction Mechanisms with Computational Tools The Sorption Of Cu2+, Zn2+, Cd2+ And Pb2+ Ions With Cationites Containing Different Functional Groups Computational design of organic superbases possessing the guanidine functionalities Mild Steel Corrosion Inhibition by Wrightia Tinctoria Leaves Extract in 1 N Suphuric Acid Kinetics And Thermodynamics Studies Of Arsenate Adsorption By Fepo4 Effect of magnesium source on synthesis of magnesium orthoborate Synthesis and characterization of gadolinium doped magnesium orthoborate Investigation of the effects of intermicellar distance and screw angle on the tempetaure dependence of the helical pitches in the instrinsic lyotropic chiral nematic phases Properties of the mono-hydroxy flavones concerning radical-scavenging activity. Carbocation 3˚> 2˚> 1˚ Stability: Hyperconjugation or More? Solubility of argon and nitrogen in aqueous solutions of dodecyltrimethylammonium bromide (DTAB) from 283.15 to 298.15 K and 101325 Pa partial pressure of gas Unique Acidity of Water Monolayer on Ru(0001)

Claudia Sandoval, Ariela Vergara Jaque, Jeff Comer, Fernando González Nilo Murat Mısır, Sevil Savaşkan Yılmaz, Ahmet Bilgin Murat Mısır, Sevil Savaşkan Yılmaz, Ahmet Bilgin

Dilek Çimen, Tuncer Çaykara Aurelia Visa, Bianca Maranescu, Mircea Mracec Ertan Yildirim, Tuncer Çaykara

Hugo Martins, Bárbara Anes, Cristina Silva Oliveira, Florbela Dias, Eduarda Filipe, Maria Filomena Camões Gamze Bahadir, Esra Bozkurt, Viktorya Aviyente


2293

Yeliz İpek, Atıf Koca, Kasım Şener Eliseo Amado González, Marlon Martínez Reina, Miguel Iglesias Bilge Fatma Emre, Funda Sayılkan, Can Şimşek Tugce Gulsen Erbay, Seyhan Salman, Viktorya Aviyente Michael Ch Michailov, Eva Neu, Ursula Welscher, Viktor Foltin, Erich Gornik, Walter Seidenbusch Asu Ziylan, Şifa Doğan, Sesil Agopcan, Rana Kıdak, Viktorya Aviyente, Nilsun H. Ince Aliaddin Dayyan Abbasov, Farah Haydar Haydarova, Fizze Sadik Mehmetova Davor Margetic, Pavle Trošelj, Tsutomu Ishikawa, Takuya Kumamoto Niketan Sarabhai Patel, Jiri Hardlicka, Dalimil Snita Muhammad Hummayun, Mairman Muska Yousafzai, Abdul Naeem, Tahira Mahmood Esra Gül, Ayşe Uztetik Morkan Esra Gül, Gülden Özen Kahveci, İzzet Morkan, Ayşe Uztetik Morkan Erol Akpinar, Frank Giesselmann, Muhammet Yildirim, Mahmut Acimis Mariya Vakarelska Popovska, Zhivko Velkov Judy I Chia Wu, Paul Von Rague Schleyer


P-1121

Andres Felipe Suarez, Carmen Maria Romero, Luis Calos Garzon Youngsoon Kim, Eui Seong Moon, Sunghwan Shin, Heon Kang 89


P-1146

2380

P-1147

2479

P-1148

2915

P-1150

2029

P-1154

2341

P-1155

1309

P-1171

2882

P-1174

2958

P-1175

2969

P-1176

2991

P-1177

3002

Thymoquinone in liposomes: a study of loading efficiency and biological activity towards breast cancer The Aggregation Behaviours of the Different Gemini Surfactants Theoretical study of α-glucosidase inhibition by xanthone sulfonamide derivatives using ligand– based drug design An Accurate Expression for the Rates of DiffusionInfluenced Bimolecular Reactions with LongRange Reactivity Metal-Ligand Bond Vibrations in Alkaline Earth Metal Acetylacetonates Structure and Vibrational Analysis of Ethyl 3-Amino-2-Butenoate SStudy of surface properties and determination of the thermodynamic parameters of micellisation of the nonionic surfactant: the alkyl polyglucoside (apg) Discrimination of chiral molecules through highharmonics generation Vibrational Frequencies of Radical Cations from ab initio Calculations Determination of Ultrasonic Speed in Liquids using Ultrasonic Interferometer Computational Rationalization of the Ring Transformation of 3-hydroxy-4-(1,2dihydroxyethyl)-β-lactams

Fadwa Odeh, Siad Ismail, Rana Abu Dahab, Ismail Mahmoud, Abeer Al Bawab Çiğdem Batıgöç, Halide Akbaş, Mesut Boz, Sedat Semih Baştürk Ferkous Fouad, Saoussen Lakehal, Kheireddine Kraim, Youcef Saihi, Ouassila Attoui Yahia Sangyoub Lee, Chang Yun Son, Jaehoon Kim, Ji Hyun Kim, Jun Soo Kim Fariba Tayyari, Sayyed Faramarz Tayyari, Tayyebeh Bakhshi, Mohammad Vakili, Ali Reza Berenji Ali Reza Berenji, Sayyed Faramarz Tayyari, Mohammad Vakili, Mina Jamialahmadi Badache Leila, Habi Ben Hariz Samir, Gharbi Amine Serguei Patchkovskii Ching Koon Yau, Christopher G. Jesudason Ching Koon Yau, Christopher G. Jesudason Hannelore Goossens, Saron Catak, Karen Mollet, Nicola Piens, Matthias D'hooghe, Norbert De Kimpe, Michel Waroquier, Veronique Van Speybroeck

Macro and Nano Science and Technology / MNST-P-03


Pub. No.

90

P-1178

Abstract no: 2295

Title

Authors

Sinthesis, characterization and antibacterial activity of silver nanoparticles

Daissy Julieth Paredes Guerrero, Jhon Jhamilton Artunduaga Bonilla, Claudia Cristina Ortiz López, Rodrigo Gonzalo Torres Sáez Seza Göker, Gönül Hızalan, Gönül Hızalan, Yasemin Arslan Udum, Levent Toppare, Levent Toppare, Levent Toppare, Levent Toppare Gulsah Demirci, Hatice Busra Tinmaz, Mehmet Atilla Tasdelen

P-1179

2371

Benzooxadiazole containing polymers: Comparison of donor units

P-1180

2427

P-1181

2429

P-1182

2442

P-1184

2499

P-1185

2520

Synthesis and Characterization of PVC-based Graft Copolymers via Light-induced CuAAC “Click” Chemistry Synthesis and Characterization of Star Polymers via Light-induced CuAAC “Click” Chemistry Thermal Studies of a Ruthenium Polypyridyl Complex on Nanocrystalline Tio2 Films Properties and preparation of thermoplastic polyurethane / silica nanocomposites Synthesis and Electrochemical Characterization of Benzooxadiazole Derivative

P-1186

2527

P-1187 P-1188

2553 2815

P-1189

2851

P-1190

2897

P-1191

2926

Comparison of the UV/ZnO and UV/H2O2 Processes for Degradation of Malachite Green Synthesis of Modified Cellulose Nanofibers The effect of carbon nanotubes on the mechanical and fracture properties of glass fibre reinforced epoxy composites Preparation of Polystyrene / Methacryl fuctionalized Boron Nitride based composite Controlling Gold Nanoparticles with Atomic Precision: Synthesis and Structure Determination The Preparation of Ni, Co And Cu Nanoparticles Supported on Silica Coated Magnetic Ferrite Using a Impregnation Deposition Method

Hatice Busra Tinmaz, Gulsah Demirci, Mehmet Atilla Tasdelen Cigdem Sahin, Halide Diker, Canan Varlikli Özge Çavuşlar, Nilgün Kızılcan Gönül Hızalan, Gönül Hızalan, Seza Göker, Yasemin Arslan Udum, Levent Toppare, Levent Toppare, Levent Toppare, Levent Toppare Nuray Güy, Mahmut Özacar Nesrin Köken, Klaus Tauer Hirad Zandi Esra Altay, Tarık Eren, Lina Sartinska, Yevgen Voynich Huifeng Qian, Rongchao Jin Fatma Ulusal, İlyas Gönül, Bilgehan Güzel

2945

P-1193

2473

P-1194

2824

P-1195

2825

P-1201

2580

P-1210

2941

P-1211

2943

P-1213

3007

Particles decorated by an ionisable thermoresponsive polymer brush in water: experiments and self-consistent field modelling Self-assembled Porphyrin-DNA as scaffold for nanoarchitecture and biomimetic applications Effect of the low and medium pressure UV lamps on the dye decolourization using a photocatalytic advanced oxidation process Optimization of nano-photocatalytic decolourization of the dye using TiO2-Ag2O Formulation and characterization of the microparticles containing the antihypertenseurs for pharmaceutical use Design And Application Of Silica Gel Functionalized Adsorbents For Efficient Remediation Of Cationic Dyes Tailoring Of Poly (Ether Ether Ketone) Surface Properties Via Surface-Initiated Atom Transfer Radical Polymerization Development and use of nano-structured sorbent for sorption correction in intoxication with heavy metals

Sergio P C Alves, Jose P Pinheiro, Jose P S Farinha, Frans A M Leermakers ThaoNguyen Nguyen, Imenne Bouamaied, Jonathan R. Burns, David Collison, Ruth Edge, Bernard A. Goodman, Eugene Healy, Eugen Stulz Maedeh Vafaee, Mohamad Ebrahim Olya, Mansor Jahangiri Maedeh Vafaee, Mohamad Ebrahim Olya, Mansor Jahangiri Nait Bachir Yacine, Ouennoughi Nawel, Guemras Nadjet, Guemras Nadjet, Guemras Nadjet, Veesler Stephane, Daoud Kamel Eylul Tuncel, Aleeza Farrukh, Attia Akram, Abdul Ghaffar, Zehra Oluz, Basit Yameen, Hatice Duran Zehra Oluz, Aleeza Farrukh, Ahmed Yousaf, Eylul Tuncel, Basit Yameen, Hatice Duran


P-1192

Sara Aubakirovna Sharypova, Nurzhanyat Tatuhanovna Ablayhanova, Balaussa Kanatbaykizi Dinistanova, Sultan Tuleukhanovich Tuleukhanov, Zulhayr Aymuhametovich Mansurov

Pub. No. P-1214

Abstract no: 2086

P-1215

2108

P-1217

2305

P-1218

2345

P-1219 P-1220

2360 2396

P-1221

2516

P-1222

2530

P-1223

2541

P-1224

2655

P-1225

2688

P-1226

2694

Title

Authors

Studies towards degradable polymers: new zinc(II) and palladium(II) complexes as catalysts for lactide polymerization and CO/styrene copolymerization Enzymatic syntheses of alpha-glucosides by Aplysia depilans marine alpha-glucosidase activity Green Synthesis of Iron Nanoparticles and their Application as a Fenton-like Catalyst for the Degradation of Aqueous Cationic and Anionic dyes Green synthesis of silver nanoparticles and its anfungal activity against differents species of Candida spp

Peter Malatji, Alan T. Hutton, Neil J. Coville

Green catalytic oxidation reactions Grafting of Poly (2-(Dimethylamino) Ethyl Methacrylate) onto Crosslinked Poly(Vinyl Benzyl Chloride) Resin For Removal of Acidic Dyes Removal of Erythrosine from Water Environment using Magnetic Chitosan with Erythrosine as Imprinted Molecules Green Product By Ring Opening Of Epoxidized Soybean Oil With Chemicals Containing Two Different Functional Groups Preparation And Gas Separation Properties Of Sulfonated Poly(Ether Ether Ketone)/ Polyetherimide/Silica Membranes Dialkyl carbonate mediated intermolecular and intramolecular cyclisation Synthesis of Hydroxyalkyl Carbamates from the In-Situ Generated Alicyclic Amines and Propylene Carbonate phosgene-free carbamoylation of aniline under batch and continuous-flow conditions

Annabella Tramice, Ernesto Mollo, Eduardo Pagnotta, Antonio Trincone Sadieh Izzaldeen Abu Sirriah, Talal Ribhi Shahwan, Muath Sadeq Nairat, Ezel Boyacı, Ahmet E Eroğlu, Thomas B Scott, Keith R Hallam Daissy Julieth Paredes Guerrero, Jhon Jhamilton Artunduaga Bonilla, Claudia Cristina Ortiz López, Clara Inés Sánchez Suárez, Rodrigo Gonzalo Torres Sáez Mo Hunsen Merve Hamamcı Ahmet Eser, Seda Becerik, Tülin Aydemir, Ayşe Dinçer Gökhan Yapar, Hatice Akı, Kemal Karadeniz Sennur Deniz, Öznur Güldibi, Sevim Okşak Fabio Arico, Pietro Tundo



Yong Jin Kim, Viveck Mishra, Seung Geun Oh, Jin Ku Cho, Baek Jin Kim Pietro Tundo, Fabio Aricò

91


P-1227

2817

P-1228

2826

P-1229

2839

P-1230 P-1231

415 579

P-1232 P-1233 P-1234

2218 3048

P-1236

2300

P-1237

2213

P-1238

2312

P-1239

3015

P-1240

1388

P-1255

2563

P-1257

2578

P-1264

2742

Phosgene-free synthesis of N, N'-diphenylurea via oxidative carbonylation of aniline by using a multistep electron transfer catalytic system Efficient organic photovoltaics based on DSSC dye donor materials Removal Of As(Iii) Ions From Aqueous Systems Using Modified Natural Sorbents Nexus of clean energy and clean water Kinetic Studies for the Decolorization of Azo Dyes in a Continuous Reactor System by Fenton Oxidation Process Removal of acidic and basic dyes from water using crosslinked quaternized imidazole containing resin Chemicals from Asteraceae growing in Sardinia Pd-Nhc Complexes As A Catalyst For C–N Bond Formation Sorption of toxic metal ions in aqueous environment using electrospun polystyrene fibers incorporated diazole ligands Box–behnken design optimization of basic blue 41 adsorption onto pretreated coffee wastes Hydroxide-esm (eggshell membrane) as biosorbent for removal food dye from aqueous solutions Prepatation Of Polypyrrole/Alumina Nano Composite And Its Effect For Removal Of Reactive Orange 16 From Textile Waste Water A wintertime study of polycyclic aromatic hydrocarbons (PAHs) in indoor and outdoor air in a big student residence in Algiers, Algeria Synthesis of compound from quaternary salts

Luca Pietrobon, Sara Bravo, Andrea Vavasori, Claudio Tortato, Lucio Ronchin Xiao-feng Wang Seda Yetim, Ali Çelik, V. Nüket Tirtom Satinder Ahuja Tülin Gürkan, Sibel Tunç, Osman Duman Fatih Bildik, Gülcin Torunoglu Turan, Bahire Filiz Senkal Marianna Usai, Mauro Marchetti Ismail Özdemir Godfred Darko, James Darkwa, Nelson Torto Fatiha Atmani, Nacera Yeddou Mezenner, Hiba Kais, Farid Medjene, Amel Hamadi Nacèra Yeddou Mezenner, Fatiha Atmani, Hiba Kais Adnan Habiby, Ali Reza Pourshishehgar, Abolghasem Teimori, Habib Allah Tayebi Noureddine Yassaa, Sidali Khedidji, Riad Ladji

Linda Loucif Seiad, Didier Villemin, Messaoud Hachemi Linda Loucif Seiad, Didier Villemin, Messaoud Green chemistry and synthesis Hachemi Photocatalytic Degradation of Benzene Derivatives Abdelrani Messalhi, Nadia Djouambi, Chafika Bougheloum on N- doped TiO2 Catalyst

Life Chemistry / LC-P-03


Pub. No.

92

P-1267

Abstract no: 2504

P-1268

2514

P-1269

2528

P-1270

2555

P-1271

2556

P-1272

2560

P-1273

2566

P-1274

2596

Title

Authors

Synthesis and Adhesive Properties of NonAromatic Polyurethanes Based on Maltose for Medical Applications The Analysis of Polyphenol Component and Antioxidant Properties of Abies Cilicia Resin

Sevgi Balcioglu, Merve Goksin Karaaslan, Selam Gulgen, Suleyman Koytepe, Burhan Ates

The Effect of Heat-Treatment on Antioxidant Properties of Honey Obtained from Different Region in Turkey investigation of anticancer properties of n-heterocyclic carbene complexes on hepg2 Determination of the free radical scavenging capacity and the total phenolic content of quince (Cydonia oblonga) fruits Determination of the free amino acid composition of quince (Cydonia oblonga) fruits in situ functionalization of gold nanoparticles with a new synthetic peptide with antimicrobial potential against methicillin-resistant staphyloccocus aureus Noncovalent and nonpeptidic cruzain inhibitors as anti-Trypanosoma cruzi agents: synthesis, biological evaluation and structure-activity relationships

Selam Gulgen, Reyhan Dogru, Merve Goksin Karaaslan, Azize Alayli Gungor, Selim Erdogan, Burhan Ates Ahmet Ulu, Sevgi Balcioglu, Serkan Basgel, Semiramis Karlidag, Selim Erdogan, Burhan Ates Unzile Kelestimur, Aydın Aktas, Burhan Ates, Yetkin Gok Gülen Türker, Bayram Kızılkaya, Nazan Çevik Gulen Turker, Bayram Kızılkaya, Nazan Çevik Yuly Andrea Prada Vargas, Enrique Mejía Ospino, Marlon Yesid Cáceres Ortiz, Rodrigo Gonzalo Torres Saez, Claudia Cristina Ortiz López Ivani Pauli, Rafaela Salgado Ferreira, Marco Aurélio Dessoy, Mariana Laureano De Souza, Renata Krogh, Ana Isabela Lopes Sales, Glaucius Oliva, Luiz Carlos Dias, Adriano Defini Andricopulo

P-1276

2664

P-1277

2712

P-1278

2774

P-1279

2953

P-1280

2954

P-1281

2956

P-1282

2997

P-1283

2999

P-1284

3025

P-1285

420

P-1286

168

P-1287

345

P-1288

395

P-1289

445

P-1290

417

P-1291

3047

P-1292

2753

P-1293

2754

P-1294

2888

P-1295

30

Wanessa Altei, Livia B. Salum, Louise D. Chiaradia, Marlon N. S. Cordeiro, Evelyn Winter, Hikmat N. Daghestani, Jose A. Yunes, Rosendo A. Yunes, Ricardo J. Nunes, Adriano D. Andricopulo, Billy W. Day, Andreas Vogt Gloria Eva Tomas Chota, Bertha Jurado Texeira, Study phytochemical, microbiological and toxicological polysaccharides of nostoc comumune Cesar Fuertes Ruiton, Jorge Luis Arroyo Acevedo, Eva Ramos Llica, Jose Caceres Paredes, Miguel and nostoc sphaericum Inocente Camones, Britt Alvarez Chavez, Betsabeth Rivera Castillo, Martín Ramirez Obregon, Henry Ostos Flor, Luisa Cardenas Montoya Merve Goksin Karaaslan, Nesrin Aydogan, Ali Protective Effect Of N-Acetylcysteine Amide (Naca), A Novel Antioxidant, Against Lung Injury Erdogan, Nigar Vardi, Nuran Ercal, Burhan Ates Upon Paraquat Exposure Bianca Furdui, Ioana Otilia Ghinea, Steluta Synthesis and photophysics of some new Gosav, Rodica Mihaela Dinica indolizines fluorophores Betül Çelebi Saltık, Diego Mantovani, Denis Identification of soluble factors released by Claude Roy, Renée Bazin, Nicolas Pineault osteoblasts that modulate the growth of human cord blood cells Mehmet Ay, Gülden Yetiş, Ayhan Çelik, Tuğba Nitroreductase based Prodrug Activation Güngör, Ferah Cömert Önder, Melek Tercan Yavaşoğlu, Merve Kurt Mehmet Ay, Gülden Yetiş, Ayhan Çelik, Tuğba A Novel Ssap-NtrB/Prodrug Combination for Güngör, Ferah Cömert Önder, Melek Tercan Cancer Therapy Yavaşoğlu, Merve Kurt Shakti K. Airee, Joseph M. Cook, Chelsea N. Exploring simpler assays for physiologically Peeler important player nitric oxide synthase Mejra Bektaševic;, Aida Crnkic, Halid Makic, Antioxidant activity of two wild medicinal plants Aldina Kesic from north Bosnia Anna Claudia Silva, Claudio Lopes, Hanae The Total Synthesis of Altissimacoumarin D and Benelkebir, Ar Ganesan Related Analogues Tominari Choshi, Shinji Tagawa, Asuka Enantioselective Total Syntheis of β-Carboline Okamoto, Takashi Nishiyama, Shiroh Watanabe, Alkaloids, (-)-Dichotomine A and Noriyuki Hatae, Minoru Hatae, Satoshi Hibino (+)-Dichotomide II Petra Menova, Michal Hocek Preparation of Modified Oligonucleotides by Nicking Enzyme Amplification Reaction Incubation of Some Steroids with Mucor hiemalis Kudret Yıldırım, Hilal Saran, Ömer Faruk Dolu, Ali Kuru MRC 70325 Tsutomu Oikawa, Atsuko Motojima, Ai A Disubstituted Pyrazole Compound, 14-67, Matsuda, Nobuyasu Matsuura, Tominari Promotes Adiponectin Expression Choshi, Satoshi Hibino Dana Hockova, Dianne T. Keough, Zlatko New Anti-malarial Drug Leads: N-Branched Janeba, Lieve Naesens, Michael D. Edstein, Acyclic Nucleoside Bisphosphonates as Inhibitors Marina Chavchich, Tzu Hsuan Wang, John De of the Plasmodium Falciparum and Vivax Jersey, Luke W. Guddat 6-Oxopurine Phosphoribosyltransferases Satoshi Hibino, Shinji Tagawa, Asuka Okamoto, First total synthesis of 1,3-disubstituted Takashi Nishiyama, Shiroh Watanabe, Noriyuki β-carboline alkaloids, dichotomide I and Hatae, Tominari Choshi marinacarbolines A-D Masahiro Miyazawa, Koji Hoda, Hajime Synthetic Study of JBIR-23, -24 Yokoyama, Yoshiro Hirai Mohamed Gaber Abuelazm, Nadia Abd Synthesis, Structural Characterization, Elhamed Al Wakiel, Hoda Abo Elftooh El Antimicrobial And Dna Binding Studies Of Ghamry, Shaimaa Kamal Fathalla Mn(Ii), Co(Ii), Ni(Ii) And Cu(Ii) Complexes Of [( 1H-1,2,4-Triazle-3-Ylimino) Methyl] Naphthalene-2-Ol Mohamed Gaber Abuelazm, Yusif Sobhy El Synthesis, Characterization, Thermal, Potential Sayed, Hatem Ahmed Diab Cytotoxicity And Biological Activity Of A Series Of Mn(Ii), Co(Ii), Ni(Ii) And Cu(Ii) Complexes Obtained From 3-(4-Dimethylamino-Phenyl)1-{6-[3-(4-Dimethylamino-Phenyl)Acryloyl]Pyridin-2-Yl]} Propane Şebnem Selen İşbilir Determination of α-amylase inhibitory activities of some folk medicine plants used in Diabetes Mellitus. Phytochemical investigation of Oligomeris linifolia Sameh Reda Hussein, Ahmed Elkhateeb, Mona Mohamed Marzouk, Salwa Ali Kawashty (Vahl) Macbr Natural Products and Synthetic Compounds in the Cancer Research: Biological Screening of New Antimetastatic Agents


2628


P-1275

93


P-1296

178

study of some biochemical parameters and fatty acids composition in blood serum of men with nasopharyngeal carcinoma Flavonoids From Neurada Procumbens L. (Neuradaceae) In Egypt

P-1297

281

P-1298

2928

P-1299

342

P-1300

397

P-1301

399

P-1302

3041

Synthesis of cyclic peptides

P-1303

2431

P-1305

2627

P-1420

2532

synthesis and anticonvulsant activities of ionic coumarin derivatives 2-hydroxystilbene, a new antioxidant pharmacophore for the stilbenes family: a theoretical study Cysteine Arylation on Unprotected Peptides

Simultaneous detection of multiple miRNAs for expression profiles of miRNAs in lung cancer cell lines by capillary electrophoresis with dual laserinduced fluorescence Algerian Children Siblings with Type 1 Diabetes: A Genetic Screening Phytochemical investigation of Walnut leaves essential oil; Antioxidant evaluation using various methods Volatile constituents investigation and in vitro Antibacterial Activity of Juglans regia L. leaves

Mohameed Abd Hady Obeady, Luma Abd Minam Baker Mona Mohamed Marzouk, Sameh Reda Hussein, Lamiaa Fawzy Ibrahim, Ahmed Elkhateeb, Salwa Ali Kawashty, Nabeil Abd Elmegeed Saleh Eunmi Ban, Dong Kyu Chae, Young Sook Yoo, Eun Joo Song Ouar Lynda, Bouzerna Nourredine Fayçal Boukhari, Nacéra Tigrine Kordjani, Hamza Aliboudhar, Fatma Zohra Geuzil Fayçal Boukhari, Nacéra Tigrine Kordjani, Okba Selama, Hamza Aliboudhar, Fatma Zohra Guezil Hanae Benelkebir, Mostafa Rateb, Wael Houssen, Marcel Jaspars, A. Ganesan Mert Olgun Karataş, Mehmet Abdullah Alagöz, Arzu Karakurt, Bülent Alıcı Habiba Amira Guebailia, Ali Benayahoum, Omar Houache Alexander M. Spokoyny, Yekui Zou, Chi Zhang, Jingjing J. Ling, Bradley L. Pentelute



Pub. No.

94

P-1311

Abstract no: 2234

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Electrical properties and stability of solutionprocessed ZnO TFT at 150 oC Synthesis and Thermal Properties of Poly(aryl ether sulfones) Macromonomers An Activation Process for Polyethylene/ Polypropylene (PE/PP) Nonwoven Fabric by Raft-Mediated Grafting of Glycidyl Methacrylate (GMA) and Consequent Modification with 3-Amino-1,2,4-Triazin Preparation of Cellulosic Functional Membranes by Immobilizing Iminodiacetic Acid (IDA) onto Poly(Glycidyl Methacrylate) (PGMA) Grafted Cellulose Effect of plasma treatment on cellulose and oxidized cellulose fiber Cellulose fiber modified by chitosan

Jaeeun Hwang, Jaehoon Park, Hongdoo Kim

Phese Behavior in Blends Containing Biodegradable Polymers Hydrophilic CdSe-ZnS-Tiopronin Quantum Dots and their Surface Functionalisation with Light Activated Antimicrobial Dyes Synthesis of hybrid particles containing a supported catalyst and use in the Atom Transfer Radical Polymerization of Methyl Methacrylate Removal of Cr(VI) by Novel Cu(II) Loaded 4-Vinylpyridine Grafted Nonwoven Fabric Synthesis and characterization of silicate nanocomposites containing Polyurethane coatings Synthesis and properties of dithienothiophenedialdehyde and derivatives for sensor applications Thermal Conductivity of Highly Porous Expanded Graphite Monolith

Lokman Torun Murat Barsbay, Fulya Özmen Atılgan, Yasko Kodama, Pınar Akkaş Kavaklı, Cengiz Kavaklı, Olgun Güven Murat Barsbay, Fulya Özmen Atılgan, Yasko Kodama, Pınar Akkaş Kavaklı, Cengiz Kavaklı, Olgun Güven Katerina Kolarova, Vladimira Vosmanska, Silvie Rimpelova, Vaclav Svorcik Vladimíra Vosmanská, Katerina Kolarova, Zdenka Kolska, Petr Slepicka, Vaclav Svorcik Cristian Castro Rodriguez, Ligia Gargallo, Claudia Sandoval, Deodato Radic´ Ralph Leech, Ivan P Parkin, Claire J Carmalt, Chris Wm Kay Chirine Ben Osman, François Stoffelbach Pınar Akkaş Kavaklı, Cengiz Kavaklı, Aslı Hamurcu, Burcu Okyay, Olgun Güven Gülizar Çiçek Müjdeci, Nilgün Kızılcan Canan Şahin, İpek Ösken, Turan Öztürk Stanislav Vladimirovich Filimonov, Natalya Evgenievna Sorokina, Artyom Petrovich Malakho, Victor Vasilievich Avdeev

P-1325

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2772

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2857

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2872

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2902

Formation of Surface Wrinkles by iCVD Deposition of Poly(N-isopropylacrylamide) on PDMS Synthesis and polymerization reactions of thiophene-porphyrin conjugates for photovoltaic devices Synthesis, Properties and OLED applications of Dithieno[3,2-b;2’,3’-d]thiophene-S,S-dioxide Derivatives and their Copolymers with Fluorene Synthesis of the column packing materials based on coumarin containing-silica

Ridvan Demiryurek, Mariamu Kassim Ali, Gozde Ozaydin Ince Büşra Köroğlu, Catherine Hirel, Emel Önal, Vefa Ahsen, Turan Öztürk, Turan Öztürk, Fabienne Dumoulin, Fabienne Dumoulin Ipek Osken, Ali Senol Gundogan, Emine Tekin, Mehmet S Eroglu, Turan Ozturk

Süleyman Köytepe, Emine Sura Kazmaz, Mert Olgun Karataş, Ali Erdoğan, Burhan Ateş, Bülent Alıcı, Turgay Seçkin Synthesis of the star shaped metallosupramolecular Süleyman Köytepe, Maruf Hurşit Demirel, Ilhan Küçük, Imren Özcan, Turgay Seçkin polymers based on terpyridine containingpolyimides Poly(p-phenylene) -Type Copolymers for Targeted Demet Goen Colak, Ioan Cianga, Dilek Odaci Demirkol, Ozge Kozgus, E. Ilker Medine, Serhan Cell Imaging and Diagnosis Sakarya, Perihan Unak, Suna Timur, Yusuf Yagci Demet Goen Colak, Ioan Cianga, Anca D. Amphiphilic Poly(p-phenylene vinylenes) with Bendrea, Luminita Cianga, Yusuf Yagci “Hairy-Rod” Architecture for Fluorescent Water Self-Dispersible Nanoparticles Formed by SelfAssembly Senem Merve Avaz, Alpay Taralp Freeze-Concentration-Based Approaches To Prepare Novel Biomaterials Sennur Deniz, Elif Macunlar MOFs-CONTAINING POLYETHERIMIDE BASED MIXED-MATRIX MEMBRANES FOR CO2/CH4 SEPARATION Graphene quantum dots for flexible dye-sensitized Kishore Kumar Devarepally, Senthilarasu Sundaram, Hari Mohan Upadhyaya solar cell applications Burhan Ates, Suleyman Koytepe, Merve Goksin Novel Biodegradable Polyurethanes Based on Karaaslan, Sevgi Balcioglu, Selam Gulgen Catechol For Medical Adhesive Application Ivanka Holclajtner Antunovic, Danica Bajuk Spectroscopic study of molecular species of 12-tungstosilicic acid in methanol/water solutions Bogdanovic, Alexandrou Popa, Snezana Uskokovic Markovic Yilmaz Aksu, Stefano Frasca, Sevil Aksu, Arne Biosensors comprising enzymes coupled to Thomas, Ulla Wollenberger, Matthias Driess mesoporous tin-rich indium tin oxide based transparent and conductive thin films prepared by employing a single source precursor approach Yilmaz Aksu, Stephan Heitz, Matthias Driess Predesigning heterogeneous catalysts on the molecular scale: a unique way to high quality Lidoped MgO and related materials Yağmur Polat, Nurseli Uyanık Influence of Halloysite Nanotubes Contents on the Mechanical and Thermal Properties of EPDM Nanocomposites Esin Ateş, Nilgün Kızılcan, Belkıs Electrochemical Copolymerisation Of Modified Ustamehmetoğlu, Esma Sezer Ketonic Resin With Pyrrole And Thiophene Esin Ateş, Nilgün Kızılcan, Esma Sezer, Belkıs Corrosion Protection With Thiophene Modified Ustamehmetoğlu Ketonic Resin Copolymers Balausa Dinistanova, Nurzhanat Ablayhanova, Syntesis of carbon nanomaterials and their use as Sandugash Tanirbergenova, Mahmut Bijsenbaev, modifiries of composites Zulhayr Mansurov Sandugash Tanirbergenova, Nurzhamal Nanostructured metalcarbon catalysts in the Zhylybayeva, Balausa Dinistanova, Gulia process hydrocracking of hydrocarbons Moldazhanova, Aigul Ernazarova, Zulhayr Mansurov Didem Omay, Pınar Akay Swelling Properties Of Chitosan&L-Alanine And Chitosan&L-Leucine semi-IPNs New PU Resin from Microwave radiation assisted Kan Nan Chen Non-isocyanate Process Sabiha Sultana, Muhammad Saleem Khan Characterization of coal ash and its Beneficial use for enhancing structural, electrical and optical properties of polymeric blend composites Selbi Nuryyeva, Kuldeep Wadhwa, Mourad Radical-Dimerization Overwhelms Elhabiri, Ali Trabolsi Hydrophobicity


2416


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Single crystals in action: Motility and selfactuation of thermosalient (jumping) crystal for smart actuators Nanowire Nanoelectronics: Building Interfaces with Tissue and Cells at the Natural Scale of Biology Synthesis of Anionic Conjugated Polyelectrolytes for Biological Sensing Using Intermolecular Exciton Migration Functionalized Gold Nanoparticles with Electropolymerizable Conjugated Systems for Organic Transistors Behaving as Biological Synapse White-Light Emissive Sheets Included Spatially Separated RGB Fluorescent Nanofibers/Nanobeads Based on PMMA by Multinozzle Electrospinning Ensemble of oligopeptide coated-conjugated polymer dots and magnetic particles for trypsin sensing Highly fluorescent filmes using combined excitonmigration and photochromic switching Full Color Emissive Poly(ethylene oxide) Electrospun Matrix Containing Semiconducting Fluorescent Polymer as a Single Light Emitter for Flexible Field Emission Device Development of New Donor Polymer for Solar Cell Composited Main Chain Donor and Side Chain Acceptor Removal of As(V) Ions from Aqueous Solutions by Quaternized DMAEMA Hydrogels

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Removal of As(V) Ions from Aqueous Solutions by Quaternized DMAEMA Hydrogels

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3029 2581 2582

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446

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Adsorption of Pb(II) from Aqueous Solution by Diethylenetriamine Modified Nonwoven Fibers Engineering Nanomaterials for Catalysis Synthesis of PS Brush on Kapton Matrix Synthesis of PS-block-PMMA Brush Copolymer on Kapton Matrix Synthesis and characterization of halloysite/ poly(ethylene glycol)-block-poly(propylene glycol)-block-poly(ethylene glycol) nanocomposites Microwave Synthesis and Characterization of a Ternary System (Cr2O3-V2O5-MoO3) Green Way to Synthesis and Characterization of Laser Host Material NaLa(MoO4)2 Effect of heating in solid state on the consolidation by infiltration of WC-W-Ni/Ni-Cr loose powder Textural study of activated carbon prepared from the cryogenic grinding of the recycled used tires and application in the methylene blue removal Study of the resilience and comparaison between the stainless steel and the aluminium alloy. Application at low temperatures Synthesis and Application of Nanowire Metal Catalysts in Hydrogenation Reaction Recyclable Rhodium Nanoparticles: Green Hydrothermal Synthesis, Characterization, and Highly Catalytic Performance in Reduction of Nitroarenes Colloidal Pd nanoparticle on Ordered Mesoporous Carbon as efficient catalyst for Suzuki Coupling Reactions: Impact of Organic Capping

Subash Chandra Sahoo Tzahi Cohen Karni, Charles M Lieber Taek Seung Lee, Daigeun Kim, Jongho Kim, Geunseok Jang Ali Yassin, Maitena Oçafrain, David Guérin, Stephane Lenfant, Dominique Vuillaume, Jean Roncali, Philippe Blanchard Jongho Kim, Go Eun Park, Daigeun Kime, Won Ho Park, Taek Seung Lee Daigeun Kim, Jaeguk Noh, Taek Seung Lee Daigeun Kim, Seonyoung Jo, Taek Seung Lee Jongho Kim, Seonyoung Jo, Daigeun Kim, Yongkyun Kim, Taek Seung Lee Jong Jin Ha, Dong Hee Lee, Il Kang, Ran Kim, Yun Hi Kim, Soon Ki Kwon Cengiz Kavaklı, Pınar Akkaş Kavaklı, Gizem Atasoy, Ceyda Elif Kanpara, Murat Şen, Olgun Güven Cengiz Kavaklı, Pınar Akkaş Kavaklı, Gizem Atasoy, Ceyda Elif Kanpara, Murat Şen, Olgun Güven Pınar Akkaş Kavaklı, Cengiz Kavaklı, Fulya Özmen Atılgan, Burcu Dila Turan, Olgun Güven Qiao Zhang Sema Vural, Turgay Seçkin Sema Vural, Turgay Seçkin Serap Mutlu, Mehmet Polat Kora, Yasemin Turhan, Mehmet Doğan, Mahir Alkan Gulsah Celik, Figen Kurtulus Gulsah Celik, Figen Kurtulus, Burcu Ünal Miroud Djamel, Tata Malik Ahmed Belgacem, Hocine Hadoun, Mohamed Belmedani, Rachid Rebiai Ahmed Belgacem, Salsabila Zara, Yasmina Ghrib, Dalila Oudfel Geon Joong Kim, Da Min Park, Ju Hyun Lee, Jong Ho Kim Seongwan Jang, Hyuntae Kang, Sungkyun Park, Kang Hyun Park Hyunje Woo, Seongwan Jang, Jongnam Park, Sang Hoon Joo, Kang Hyun Park

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Preparation, Characterization & The Effect of Laser on Some New mixed Ligand (Benziloxime & Furfuraldehydeazine)-Copper (II) Complexes & Studies of Their Biological Activity Synthesis of Poly(m-tolyloxy-co-4-pyridinoxy phosphazene)’s for Fuel Cell Applications A new Carborane Based Conjugated Copolymer Preparation and Characterization of MWCNT/ Polylactic acid Nanocomposite The Study of the Corrosion of Aluminium Alloys by Mercury in the Complex GL1/Z, Arzew Algeria Nanostructured Objects by Hierarchical Self Assembly of Open Shell Molecules Towards molecule-based wires and memories

Zuhoor Fathi Dawood, Nagan Hore Neami

Yunus Karataş, Burak Yiğen Emine Gül Cansu Ergun, Atilla Cihaner Eryasar Duygu, Arslan Figen, Gözütok Burcu, Dilsiz Nursel Latifa Hanafi, Menouar Hanafi Concepció Rovira Jaume Veciana

Chemistry Education / CE-P-02 Pub. No. P-1399

Abstract no: 2057

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Authors

An Investigation of the Reliability and Validity of Readiness Test Related to Structure and Properties of Matter for Seventh Grade How teaching develops thinking: satl

Filiz Avci, Burcin Acar Sesen, Fatma Gulay Kirbaslar


2326

Suzana Berhan Golemi, Rajmonda Zef Keqira, Gezim Haqif Bara, Donalda Bashkim Lacej Sibel Sadi Yilmaz, Ali Yildirim, Nail Ilhan

The Effects of Context Based Approach on Students Motivation at the Training of Chemical Changes Unit Biochemical Monitoring of selected mineral waters Janka Poracova, Marta Mydlarova Blascakova, Terezia Posivakova, Meria Ganajova, Janka of Eastern Slovakia in learning project Kotosova, Jozef Mydlar, Melinda Nagy, Pavol Makovicky, Anna Muchanicova Determination of physical and chemical properties Marta Mydlarova Blascakova, Janka Poracova, Jozef Mydlar, Maria Zahatnanska, of mineral springs in the eastern part of the Terezia Posivakova, Janka Kotosova, Anna Hornad basin during extra-curricular activities Muchanicova, Vincent Sedlak Nicholas Larkins, Thomas A. Logothetis The digital divide in undergraduate practicals: the learners’ push for new technology and their teachers’ perception of electronic grading and feedback P. Bernard, I. Maciejowska, M. Krzeczkowska, Influence of in-service teacher training on their E. Odrowaz, M. Ekborg, C. C. Ottander, R. R. opinions about IBSE Geoghegan, J. J. Salisbury, O. Finlayson, S. Brady, E. Mcloughlin Derek A Jackson, Matthew R Dicks, Andrew P The Organic Chemistry of Christmas Dicks Making Sense of Olive Oil: Chemistry, Quality and Zeynep Delen, Patricia O'Hara, Richard Blatchly Standards Individualizaton of Chemistry Teaching-The Case Meliha Zejnilagic Hajric, Behija Bisic, Ines Nuic of Bosnia and Herzegovina Experience of teaching IBSE method in chemistry Mária Ganajová, Milena Kristofová, Jana Porácová, Mária Zahatnanská, Marta in Slovakia Mydlárová Blascáková, Vincent Sedlák Petra Lechová, Mária Ganajová, Milena Inquiry-based versus project-based method Kristofová, Jana Porácová, Mária Zahatnanská Addy María Gómez, Ingrid Ceballos, Mercedes Itinerant Portraits & Bio Expo as Innovative Castillo Teaching And Learning Tool To Celebrate The Role Of Women In Chemistry Research on knowledge / procedures on hazardous Joelma Ferreira Portela, Patrícia Fernandes Lootens Machado, Eduardo Ferreira Pereira waste management students of undergraduate courses in Chemistry at UnB


P-1371

Chemical Industry and Innovation/ CII-P-03 Pub. No.

Abstract no:

Title

Authors

97


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2796

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Synthesis of novel hybrid materials via sol-gel techniques for cookware applications Immobilization of Lipase onto Photo-Crosslinked Polymer Network: Characterization and Polymerization Applications Gas chromatography (GC) and mass spectrometric-mass spectrometric (MS/MS) detection technologies for the analysis of organics impurities on pharmaceuticals products Study of heat exchangers fouling in Algiers refinery Numerical analysis of heat and mass transfer during torrefaction of softwood Study the process control in pharmaceutical industry Reaction modelling for atomic layer deposition of high-k dielectrics onto III-V substrates

Mustafa Hulusi Uğur, Atilla Güngör Didem Omay, Nazlı Ozcan, Pınar Akay Edgard Resto Rodriguez, Mildred Rivera

Abdelkader Mouheb, Rima Harche Abdelaziz Lachemet, Souhila Kadem, Ramdane Younsi, Salah Belaadi Kamel Daoud, Madina Miloudi, Khalida Boulberhane Sylwia Klejna, Simon D. Elliott

VENUE PLANS

EXHIBITION CENTER 2nd LEVEL Hall 2, 3, 4 , 5 1st LEVEL Hall 6, 7, 8 GROUND LEVEL Hall 1 LOWER LEVEL Hall 9, 10, 11

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American Chemical Society DOW American Chemical Society Wiley DOW Tübitak Wiley Pharmavision Tübitak Anton-Paar Pharmavision Eczacıbaşı Anton-Paar RSC Eczacıbaşı Waters RSC IMMIB Waters RACI / AJR IMMIB AKKIM RACI / AJR Springer AKKIM Springer

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IUPAC OPCW IUPAC Terralab OPCW Taylor & Francis Terralab Lanxess Taylor & Francis 45th IUPAC Lanxess World Chemistry Congress 45th IUPAC Strem World Chemistry Congress Duratek Strem Royal Society Publishing Duratek De Gruyter Royal Society Publishing Turkish Chemical Society De Gruyter Koruma Turkish Chemical Society Koruma

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LIQUID CHLORINE waters.com

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35.00

APC vs. GPC with narrow standard polystyrene Mp = 510 30.00

SODIUM HYPOCHLORIDE CAUSTIC SODA LIQUID

µRIU

25.00 40.00 20.00 35.00

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14.0 22.0 12.0 20.0 10.0 18.0 8.0 16.0

µRIU

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TİCARET

A . Ş.

web: www.koruma.com e-mail: [email protected]

CAUSTIC SODA FLAKE HYDROCHLORIC ACID ACETIC ACID SODA ASH LIGT VACUUM SALT

KORUMA

FERRIC CHLORIDE SOLUTION SODIUM SILICATE LIQUID

POLYALUMINUM CHLORIDE CALCIUM CHLORIDE

Minutes

4.0

S A N AY İ İ

Deniz Mah. Petrol Ofisi Cad. No:43 41100 Derince/KOCAELİ Telephone: 0 262 239 22 70 / 3 Hat Fax: 0 262 239 22 78 - 229 33 24

CHLORINATED PARAFFIN

Minutes 20.0

KORUMA ŞİRKETLER GRUBU

KORUMA

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THE PATH TO INNOVATION. Minutes

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PUBS: AAPS Air, Water & Environment International European BioPharmaceutical Review European Pharmaceutical Review Drug Discovery World Chromatography Today Rapid Communications in Mass Spectrometry Touch Briefings Well Characterized BioPharmaceutical Food Safety Europe Next Generation Pharmaceutical Spectroscopy Asia/Europe Food Engineering & Ingredients Europe

Koruma Corporate Group, established in 1949, is operating in 3 main production lines today consisting of Chlorine Alkali, Pesticides and Cleaning Agents in its 45.000 m2 indoor and 125.000 open spaces in total. Koruma Corporate Group is working on a non-stop basis as the leader company of the sector to contribute to national economy and provide service to its country with the help of its high technology factories in Kocaeli, Hatay and Denizli, 8 warehouses in the corporate office, its harbour, its freight and logistics company as well as its marketing and management units.



The Ubiquitin Proteolytic System From Basic Mechanisms thru Human Diseases and on to Drug Development Aaron Ciechanover Cancer and Vascular Biology Research Center, Faculty of Medicine, Technion-Israel Institute of Technology, Haifa, Israel Between the 50s and 80s, most studies in biomedicine focused on the central dogma - the translation of the information coded by DNA to RNA and proteins. Protein degradation was a neglected area, considered to be a non-specific, dead-end process. While it was known that proteins do turn over, the high specificity of the process - where distinct proteins are degraded only at certain time points, or when they are not needed any more, or following denaturation/misfolding when their normal and active counterparts are spared - was not appreciated. The discovery of the lysosome by Christian de Duve did not significantly change this view, as it was clear that this organelle is involved mostly in the degradation of extracellular proteins, and their proteases cannot be substrate-specific. The discovery of the complex cascade of the ubiquitin solved the enigma. It is clear now that degradation of cellular proteins is a highly complex, temporally controlled, and tightly regulated process that plays major roles in a variety of basic cellular processes such as cell cycle and differentiation, communication of the cell with the extracellular environment and maintenance of the cellular quality control. With the multitude of substrates targeted and the myriad processes involved, it is not surprising that aberrations in the pathway have been implicated in the pathogenesis of many diseases, certain malignancies and neurodegeneration among them, and that the system has become a major platform for drug targeting.

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Chemistry Shapes Our Future Ryoji Noyori RIKEN and Nagoya University Chemistry is not merely a science of making observations in Nature. Chemists are proud of their ability to generate high value from almost nothing by using accumulated knowledge. In fact, the state of the art of chemistry, coupled with industrial endeavors, has determined our quality of life. Thus the sustainable development of our global society requires truly practical chemical processes. Catalysis has been, and will remain, one of the most important research subjects, because it is the only rational means of producing useful compounds in an economical and environmentally benign way. We must develop “green” catalytic systems effecting perfect chemical reactions that give only the desired products with 100% selectivity and 100% yield without unwanted wastes. Every reaction of multi-step synthesis should proceed with a high atom-efficiency, and the overall synthesis needs to be accomplished with a low E-factor. Furthermore, we must connect different scientific dimensions to generate new values. The possibility of cross-fertilization is infinite. Since our science is inevitably intertwined with society, the educational and research system is to be restructured in a way to accord with the requirements of future society. Science means different things to different individuals, groups, and sectors of society. For human society as a whole, science has a very critical value. And the technology arising out of science is essential not only for industrial and economic activity, but for the continued existence of human society.

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Towards Selective And Autonomous Activation Of Therapeutic Agents: A Progress Report Engin U. Akkaya1,2 1

2

Department of Chemistry, Bilkent University, 06800 Ankara, Turkey UNAM-National Nanotechnology Research Center, Bilkent University, 06800, Ankara, Turkey. [email protected]

Fluorescent chemosensors is a vibrant field of photophysics and supramolecular chemistry. It has already spun off another field of lively activity; molecular logic gates. In recent years, we realized that as disease related parameters can be followed and imaged by fluorescent probes, a therapeutic action can also be initiated by structurally similar compounds, ideally via the same compound.[1-3] This is in fact built upon the age-old symbiosis between dyes and certain therapeutic agents. In one proof of principle study, we demonstrated[4] that it is possible to switch autonomously from the imaging mode to the therapeutic mode simply in response to pH. The response is compatible with a digital design, known as demultiplexer (DEMUX). As a practical application for molecular logic gates is sorely missed, this work highlights a potential niche utility in the field of medicine. Our new examples towards that end include proof of principles for self-reporting therapeutic agents and near-IR triggered, singlet oxygen mediated uncaging of biologically relevant molecular species.

Figure 1: The structure of the molecular Demultiplexer, autonomously switching from red/near IR emission to singlet oxygen generation modes.

References 1. S. Özlem and E. U. Akkaya, J. Am. Chem. Soc. 131, 48-49 (2009). 2. R. Guliyev, Ş. Öztürk and E. U. Akkaya, Angew. Chem. Int. Ed. 50, 9826-9831 (2011). 3. Y. Çakmak, S. Kölemen, S. Duman, Y. Dede, Y. Dölen, B. Kılıç, Z. Köstereli, L. T. Yıldırım, A. L. Doğan, D. Güç, and E. U. Akkaya, Angew. Chem. Int. Ed. 50, 11937-11941 (2011). 4. S. Erbaş-Çakmak, Ö. A. Bozdemir, Y. Çakmak, and E. U. Akkaya, Chem. Sci. 4, 858-862. (2013).

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From basic science to advances in medicine Ada Yonath Department of Structural Biology, Weizmann Institute, Rehovot 76100, Israel Ribosomes, the universal cellular machines that translate the genetic code into proteins, are targeted by many antibiotics that paralyze them by binding to their various functional sites. Owing to the determination of the atomic structures of eubacterial ribosomes in comlex with antibiotics, their binding modes, inhibitory actions and synergism pathways have been deciphered for almost all ribosomal antibiotics. These indicated the principles of differentiation between patients and pathogens, suggested mechanisms leading to bacterial resistance and paved ways for improvement of existing antibiotics as well as for the design of advanced therapeutics capable of minimizing antibiotics resistance.

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The Energy Landscape Concept and its Implications for Synthesis Planning Martin Jansen Max-Planck-Institut für Festkörperforschung, Stuttgart, Germany Virtually during any technical innovation new, or at least modified, materials are employed. Thus, the availability of new and ever better performing materials is a crucial requirement for competitiveness at the global technological race, and there is a particular strong demand for efficiency in materials research, in general. The original task of chemistry within that interdisciplinary enterprise is to synthesize and characterize new solid compounds with promising properties. Most regrettably, a directed and purposeful synthesis of a solid of given composition, structure or even properties is not viable, even nowadays, and the approaches most widely applied are explorative in nature. We present a concept that points the way towards rational planning of syntheses in solid state chemistry [1]. The foundation of our approach is the representation of the whole material world, i.e. the known and not-yet-known compounds, on an energy landscape, which implies information about the free energies of these compounds. From this follows at once that all chemical compounds capable of existence (both thermodynamically stable and metastable ones) are already present in virtuo on this landscape. In our approach to purposeful solid state and materials synthesis, we computationally search the respective energy landscapes for (meta)stable compounds. Applying appropriate experimental tools has enabled to realize e.g. elusive Na3N, including almost all of its predicted polymorphs [2], many years after the predictions were published. As a final step, we recently have extended our techniques to calculating phase diagrams, including metastable (!) manifestations of matter, without resorting to any experimental pre-information [3]. [1] Martin Jansen: A Concept for Synthesis Planning in Solid State Chemistry, Angew. Chem. Int. Ed. 41 (2002) 3746 – 66 [2] M. Jansen, K. Doll, J. C. Schön: Addressing chemical diversity by employing the energy landscape concept, Acta Cryst. A66 (2010) 518 – 534 [3] M. Jansen, I. V. Pentin, J. C. Schön: A universal representation of the states of chemical matter including metastable configurations in phase diagrams, Angew. Chem. Int. Ed. 51 (2012) 132 – 135

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Molecular Quantum Dynamics and Molecular Spectra: Time Scales and Symmetries Martin Quack Physical Chemistry ETH Zürich CH-8093 Zürich, Switzerland email: [email protected] web: www.ir.ETHZ.ch We shall introduce the two major experimental approaches towards intramolecular quantum dynamics and kinetics from spectra, (i) the study of time resolved spectra, which has a long history of many decades, and (ii) deriving time dependent quantum dynamics from highly frequency resolved molecular spectra developed largely in the Zurich group over the last [1-4] three decades . We shall then report about recent experimental and theoretical results from our group ranging from [4-6] [7-10] to picosecond and nanosecond tunneling reactions , nuclear spin femtosecond intramolecular energy flow [11-13] symmetry violation , and finally time dependent evolution of parity on the time scale of seconds due to electroweak [3, 14-18] [17] including some recent open problems in molecular quantum dynamics . The role of successive parity violation [3] symmetry breakings in defining different time scales of intramolecular primary processes of kinetics will be emphasized . Acknowledgements: Our work is supported financially by ETH Zürich, Schweizerischer Nationalfonds SNF and the European Research Council by an ERC Advanced Grant. [1] [2] [3] [4] [5] [6] [7] [8] [9] [10] [11] [12] [13] [14] [15] [16] [17] [18]

M. Quack, in 44th World Chemistry Congress, 11 - 16 August 2013, Istanbul, 2013. M. Quack, Molecular femtosecond quantum dynamics between less than yoctoseconds and more than days: Experiment and theory, in Femtosecond Chemistry, Proc. Berlin Conf. Femtosecond Chemistry, Berlin (March 1993) (Eds.: J. Manz, L. Woeste), Verlag Chemie, Weinheim, 1995, pp. 781-818. M. Quack, Fundamental Symmetries and Symmetry Violations from High Resolution Spectroscopy, in Handbook of High Resolution Spectroscopy, Vol. 1 (Eds.: M. Quack, F. Merkt), Wiley, Chichester, New York, 2011, pp. 659-722. M. Quack, Chimia 2001, 55, 753-758. F. Merkt, M. Quack, Molecular Quantum Mechanics and Molecular Spectra, Molecular Symmetry, and Interaction of Matter with Radiation, in Handbook of High-Resolution Spectroscopy, Vol. 1 (Eds.: M. Quack, F. Merkt), Wiley, Chichester, New York, 2011, pp. 1-55, (see also preface to this Handbook). S. Albert, K. Keppler Albert, H. Hollenstein, C. Manca Tanner, M. Quack, Fundamentals of Rotation-Vibration Spectra, in Handbook of High-Resolution Spectroscopy, Vol. 1 (Eds.: M. Quack, F. Merkt), Wiley, Chichester, New York, 2011, pp. 117-173. B. Fehrensen, D. Luckhaus, M. Quack, Chem. Phys. 2007, 338, 90-105. M. Hippler, E. Miloglyadov, M. Quack, G. Seyfang, Mass and Isotope Selective Infrared Spectroscopy, in Handbook of High Resolution Spectroscopy, Vol. 2 (Eds.: M. Quack, F. Merkt), Wiley, Chichester; New York, 2011, pp. 1069-1118. S. Albert, P. Lerch, R. Prentner, M. Quack, Angew. Chem. Int. Ed. 2013, 52, 346-349. R. Marquardt, M. Quack, Global Analytical Potential Energy Surfaces for High Resolution Molecular Spectroscopy and Reaction Dynamics, in Handbook of High-Resolution Spectroscopy, Vol. 1 (Eds.: M. Quack, F. Merkt), Wiley, Chichester, New York, 2011, pp. 511-549. M. Quack, Mol. Phys. 1977, 34, 477-504. C. Manca Tanner, M. Quack, D. Schmidiger, J. Phys. Chem. A 2013, DOI: 10.1021/jp400958f, (in press). M. Snels, V. Horká-Zelenková, H. Hollenstein, M. Quack, High Resolution FTIR and Diode Laser Spectroscopy of Supersonic Jets, in Handbook of High Resolution Spectroscopy, Vol. 2 (Eds.: M. Quack, F. Merkt), Wiley, Chichester, New York, 2011, pp. 1021-1067. M. Quack, Chem. Phys. Lett. 1986, 132, 147-153. M. Quack, J. Stohner, M. Willeke, Annu. Rev. Phys. Chem. 2008, 59, 741-769. R. Prentner, M. Quack, J. Stohner, M. Willeke, Faraday Discuss. 2011, 150, 130-132. M. Quack, Frontiers in Spectroscopy, in Faraday Discuss., Vol. 150, 2011, pp. 533-565. P. Dietiker, M. Quack, A. Schneider, G. Seyfang, F. Ünlü, IR-laser induced population transfer from highly populated rotational levels of NH3 in a molecular beam, in Proceedings of the 18th Symposium on Atomic, Cluster and Surface Physics 2012 (SASP 2012), Alpe d’Huez, France, 22 to 27 January 2012 (Eds.: M. Lewerenz, O. Dutuit, R. Marquardt), Innsbruck University Press (IUP), Innsbruck, 2012, pp. 263-267.

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The Molecular Chemistry of Renewable Energy Daniel G. Nocera Department of Chemistry and Chemical Biology Harvard University 12 Oxford Street Cambridge, MA 02138 U.S.A. The oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) are multi-electron/proton processes. The coupling between the electron and proton (proton-coupled electron transfer, PCET) must be intimately controlled if large activation barriers are to be avoided. A number of disparate HER and OER catalysts have been invented by us, ranging from thin film oxidic metal catalysts to molecular hangman catalysts. Despite the very different nature of these catalysts, a common rule set has emerged for energy conversion catalysis. This rule set will be discussed, and the implementation of this rule set in the creation of the artificial leaf will be discussed.

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The Wanderings of a Free Radical – Assessing Antioxidants and Their Impact on Health and Disease Barry Halliwel Tan Chin Tuan Centennial Professor, Department of Biochemistry, Yong Loo Lin School of Medicine, National University of Singapore Oxygen free radicals and related “reactive oxygen species” (ROS) are fundamental to humanlife; they help drive evolution and the damage that they can do (“oxidative damage”) is involved in most, if not all, human diseases and in the ageing process. An understanding of what ROS can (and cannot!) do requires a good grasp of chemical principles. Their role in atherosclerosis and neurodegeneration will be highlighted. The fact that ROS cause such harm whilst playing important pathophysiological roles can be explained by Darwinian Medicine. Indeed, ROS have beneficial effects in killing invading organisms and facilitating signal transduction, especially in coordinating the inflammatory response. Early work by my group helped elucidate the pathway used by plants to remove H2O2 (the ascorbate-glutathione cycle). Plants are key to human life; they supply us with oxygen, they provide a variety of nutrients with antioxidant abilities, and diets rich in plants lower the risk of developing diseases. The reasons for the lack of effectiveness of antioxidant supplements in decreasing risk of disease in some intervention studies will be discussed. One explanation is that antioxidant supplements are often ineffective in decreasing levels of oxidative damage in humans, as measured using accurate biomarkers, whose quantitation requires excellent chemical methodology. Antioxidants work better in rodent models (which questions the relevance of some mouse models of human disease). So how then can we minimize oxidative damage in the human body? Strategies will be discussed. Even more questionable is cell culture. Cell culture is an example of hyperoxia-induced oxidative stress and adaptation of cells to it. Culture media have evolved like a “witches brew” and they often interact in complex ways with added antioxidants, sometimes catalyzing their oxidation to H2O2 and other cytotoxic species. Hence one must take great care when interpreting the effects of added antioxidants upon cells in culture. The alleged ability of ascorbate and polyphenols to kill cancer cells is one such artefact. Studies on lifespan and healthspan using the nematode C.elegans are also prone to artefacts, but if these are avoided valuable information can result. References 1. Halliwell B and Gutteridge JMC (2007) Free Radicals in Biology and Medicine. Oxford University Press, Oxford (fourth edition), UK 2. Halliwell B (2006) Redox biology is a fundamental theme of aerobic life. Plant Physiol. 141:312-322 3. Halliwell B (2007) Oxidative stress and cancer: have we moved forward? Biochem J. 401:1-11 4. Halliwell B (2006) Oxidative stress and neurodegeneration; where are we now? J. Neurochem. 97:1634-58 5. Halliwell B (2012) Free radicals and antioxidants: updating a personal view. Nutr Reviews. 70:257-265. 6. Halliwell B (2013) The antioxidant paradox: less paradoxical now. Brit. J. Clin. Pharmacol. 75:637-644. 7. Gruber J et al. (2011) Mitochondrial changes in ageing Caenorhabditis elegans – what do we learn from superoxide dismutase knockouts? PLoS One 6, e19444. 8. Pun PB et al. (2010) Ageing in nematodes: do antioxidants extend lifespan in Caenorhabditis elegans? Biogerontology 11:17-30. 9. Seet RC et al. (2011) Biomarkers of oxidative damage in cigarette smokers: Which biomarkers might reflect acute versus chronic oxidative stress? Free Radic Biol Med. 50: 1787-1793. 10. Halliwell B and Lee CYJ (2010) Using isoprostanes as a biomarker of oxidative stress: some rarely-considered issues. Antioxid. Redox Signal. 13:145-156. 11. Halliwell B (2008) Are polyphenols antioxidants or pro-oxidants? What do we learn from cell culture and in vivo studies? Arch Biochem Biophys. 476:107-112.

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The Role ofthe Beisenberg Unceertainty Principle in Bulk Heterojunction Solar Cells Alan J.Heeger Loren Kaake and Daniel Moses University ofCalifornia, Santa Barbara, CA 93106 I will describe the discovery of ultrafast photoinduced electron transfer as the scientific foundation for the creation of a technology for low cost "plastic" solar cells. This initial charge separation occurs at a time scale two orders of magnitude faster than the first step in photo-synthesis in green plants.

We demonstrate by a series oftransient absorption measurements that the Uncertainty Principle can enable ultrafast (< 100 fs) charge transfer over distances of 10-20 nm in the nanoscopically textured material in bulk heterojunction solar cells. Because the spatial extent of the initially photoexcitated wavefunction is determined by the Uncertainty Principle, not by the eigenfunctions of the Schroedinger equation describing the disordered nanostructured material, we expect the emergence of new physics in nanoscience . I will focus on the details ofthe operating mechanism; the origin ofthe open circuit voltage (Voc), the roJe of morphology on the charge separation and charge collection at the electrodes, the need for charge selective buffer layers and the origin ofthe limitations on the fill factor (FF). I will emphasize the importance ofthe competition between sweep-out and recombination and on studies ofrecombination mechanisms in BHJ solar cells. Recent results on BHJ solar cells using small molecule donors (rather than polymers) will be briefly summarized.

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Organic And Bio-Organic Devices For Sustainable Optoelectronics Niyazi Serdar Sariciftci Linz Institute for Organic Solar Cells (LIOS) at the Johannes Kepler University of Linz, A-4040 Linz Austria www.lios.at Organic light emitting diodes (OLEDs), organic photovoltaic cells (OPVs) and organic field effect transistors (OFETs) are device elements for a future organic optoelectronics. Maturing from the academic research into the industrial development, such devices are entering the markets. Pure organic nanostructures and organic/inorganic hybrid nanostructures are comparatively studied for devices. This talk gives an overview of materials’ aspect, charge-carriertransport, and devices. In order to account for a sustainable future, the application of biodegradable and biocompatible systems for organic optoelectronics are needed. The use of cheap electronic devices in a large scale will introduce a “consumable electronics” into the market of “consumer electronics”. As such the contribution of electronic devices to urban waste is already increasing rapidly today. Therefore environmentally friendly materials are important to use. This is a next great challenge to material science in organic electronics. New developments of bio-inspired and/or bio-origin, bio-compatible materials are interesting. Such materials can also be used to interface the biological and biomedical research with the organic electronics field. Recent related references and monographs (1) „Exotic materials for bio-organic electronics“ M. Irimia-Vladu, N.S. Sariciftci, S. Bauer, Journal of Materials Chemistry 2011 21, 1350 (2) „Indigo - A Natural Pigment for High Performance Ambipolar Organic Field Effect Transistors and Circuits“ M. IrimiaVladu, E. Głowacki, P. Troshin, G. Schwabegger, L. Leonat, D. Susarova, O. Krystal, M. Ullah, Y. Kanbur, M. Bodea, V. Razumov, H. Sitter, S. Bauer, N. S. Sariciftci Advanced Materials 2012, 24, 375 (3) „Hydrogen-Bonded Semiconducting Pigments for Air-Stable Field-Effect Transistors  “, E. Głowacki, M. Irimia-Vladu, M. Kaltenbrunner, J. Gasiorowski, M. White, U. Monkowius, G. Romanazzi, G. Suranna, P. Mastrorilli, T. Sekitani, S. Bauer, T. Someya, L. Torsi, N. S. Sariciftci,  Advanced Materials 25 (2013), 1563 (4) „Bio-organic field effect transistors based on crosslinked deoxyribonucleic acid (DNA) gate dielectric“ C. Yumusak, B. Singh, N.S. Sariciftci, J.G. Grote Applied Physics Letters 2009, 95, 263304 (5) “Ultrathin and lightweight organic solar cells with high flexibility” M. Kaltenbrunner, M. White, E. Glowacki, T. Sekitani, T.Someya, N. S. Sariciftci, S. Bauer, Nature Commun. 3:770 | DOI: 10.1038/ncomms1772, 2012 (6) “Semiconducting and Metallic Polymers”, Alan J. Heeger, Niyazi Serdar Sariciftci, Ebinazar Namdas, Oxford University Press ISBN 978-0-19-852864-7 2010. (7) For further bibliography visit: www.lios.at

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Towards a Green and Sustainable Chemical Industry: Use of Biomass and CO2 as Feedstock Claudio J. A. Mota (Institute and School of Chemistry, Federal University of Rio de Janeiro. Avenida Athos da Silveira Ramos CT, 21949-909, Rio de Janeiro) Green chemistry is based on 12 principles, in which the use of renewable raw materials and catalysts are included. Thus, research in the area of catalytic processes that take advantage of biomass as raw materials is highly relevant. However, the green backdrop have to be expanded into a sustainable context, where we take into account the needs of future generations, combining economic, environmental and social aspects. Our group has been working on the development of green and sustainable processes in recent years. We have given particular attention to the chemical transformation of glycerin, co-product of biodiesel production, and the conversion of CO2, a greenhouse gas that is emitted in large quantities by the burning of fossil fuels. In the conversion of glycerol, we have sought to develop processes for the production of commodities used in the manufacture of plastics, such as acrylic acid and propene. The first can be obtained through the catalytic oxidative dehydration of glycerol over bifunctional catalysts, whereas propene is produced in high selectivity in the hydrogenolysis of glycerol over specific bimetallic catalysts. The focus on the conversion of CO2 has been the hydrogenation to methanol and hydrocarbons, as well as in the production of organic carbonates by reaction with alcohols. The major challenge in the field of CO2 conversion is to overcome the thermodynamic limitations. Glycerin is a renewable product that can be used as raw material for the chemical industry. It also meets the context of green chemistry, as it is produced from renewable sources. On the other hand, the use of CO2 does not fit exactly in this context, since it is produced from fossil fuel sources. However, the use of CO2 as a raw material for the chemical industry greatly contributes to the context of sustainability, as the emission of this gas into the atmosphere is reduced, contributing to the preservation of the planet and its natural resources for the future generations. Some developments of the group on these issues will be discussed in the presentation.

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Nano-enabled catalysts for low temperature Fuel Cells A.M. Kannan Fuel Cell Laboratory, Engineering Department, Arizona State University, Mesa, AZ 85212 USA Fuel cells operating below 100 ºC are very attractive energy conversion technology for automotive applications due to their higher efficiencies and higher peak power density values. Nanocatalysts for both alkaline and proton exchange membrane fuel cells will be discussed in this key note address. In general, the catalyst materials in the low temperature fuel cells are Pt or Pt-transition metal alloys on carbon or multi-walled carbon nanotubes. In the cost point of view there is a huge interest in developing fuel cell electrodes with non-noble metal catalysts towards oxygen reduction reaction (ORR). Iron phthalocyanines (FePc), cobalt phthalocyanines (CoPc) and other similar M-N4-macrocycles supported on different carbon nanomaterials have attracted much attention towards ORR in alkaline medium since 1960s. The aim of research was to develop FePc/MWCNT and CoPc/MWCNT electrocatalysts as alternative cathode materials to Pt/C in alkaline fuel cell. The fuel cell performance of the membrane electrode assemblies (MEA) with Co and Fe phthalocyanines and Tanaka Kikinzoku −2 Kogyo Pt/C cathode catalysts were 100, 60 and 120 mW cm using H2 and O2 gases. The significantly high platinum loading on MEA for proton exchange membrane fuel cells (PEMFCs) limits the commercial viability. This research clearly describes the formation of Pt nanoparticles and characterizing them by electrochemical methods for fuel cell applications. When the Pt catalyst particle size is < 3 nm, the degradation of MEA is increased dramatically, especially towards ORR. Pt nanocatalyst on MWCNTs) functionalized with citric acid (CA) was synthesized by 2 using a two-phase approach to transfer PtCl6 − from aqueous to organic phase and self-assembly method of Pt-thiol ligand. Pt/MWCNTs with 3 nm particle size possess high ESA and durable characteristics. Cyclic voltammetry scan results show the high ESA of Pt/MWCNTs as compared to that of Pt/MWCNTs. As expected, the PEMFC performance with Pt/MWCNTs -2 o reached a power density of 1330 mW.cm with H2/O2 gases at 80 C, significantly higher than that of Pt/C. The activation loss of Pt/WMCNTs is much less than that of Pt/C. Using potential cycles between 0.1 and 1.2 V, it is evident that the Pt/MWCNTs with stable ESA values even after 1500 cycles could be very stable in the PEMFC durability.

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DEVELOPMENT IN SOLAR ABSORBER COATINGS -SHIFT IN DEPOSITION AND APPLICATION TECHNIQUES E. Wäckelgård Div. Solid State Physics, Dep. Engineering Sciences, Uppsala University, PO-Box 534, SE-751 21 Uppsala, Sweden Presenting author: [email protected] Heat is needed in society for many purposes such as space heating, domestic hot water, in industrial processes and electricity production. Solar energy is to some extent used for those purposes depending on geographic location and application. The harvesting of solar energy as heat is usually done in solar collectors with its main component, the solar absorber, for photo-thermal conversion. Absorbers can be designed in different ways but have in common the property to absorb most of the incoming solar radiation with lowest possible heat losses to the surrounding and to be chemically durable at high temperatures, to moisture and atmospheric pollutants. The vast part of solar collectors are used for space heating and domestic hot water which means rather low temperatures, 50 to 100°C in operation. In more recent time it has been an increased interest in solar applications at higher temperatures, 300 to 500°C (or even higher) for industrial processes and electricity generation. Development of solar absorbers has in general contributed to better understanding of structural, optical, mechanical and chemical properties of very thin films of composite materials of metal – metal oxides and nitrides, 100 to 300 nm thick, usually divided in two to three sub-layers. The main focus in this presentation is to review the development in solar absorber development from the earlier processes of chemical and electrochemical conversion to physical and chemical vapour deposition, and later on sol gel and chemical solutions for dipping or spraying coatings.

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Chemical Analysis

The Role Of Analytical Chemistry In Society: The Evolution, Tools, Practice And Use, And Teaching Of Analytical Science Gary D. Christian Department of Chemistry, University of Washington, Seattle, WA 98195-1700 [email protected] Analytical measurements are important to the functioning of a modern society in many areas, such as health, safety, the environment, manufacturing, regulations, and forensics. The development, tools, practice, and teaching of analytical chemistry as we know it today reflect the evolution of measurement science over time. Qualitative and quantitative measurements can be traced to pre-biblical times, and have been important throughout recorded history, for scientific advancements and commerce. I will trace the early development of analytical science and its tools up to modern times, illustrated with examples of some typical analyses. Quantitative analysis textbooks, and hence the teaching of analytical th chemistry as a discipline and the training of analysts, appeared in the 19 century. What we teach, and how we teach it, has evolved with the evolution of the tools and capabilities of analytical science. What topics are taught and how our approach to teaching has changed will be presented. Further Reading 1. F. Szabadvary, History of Analytical Chemistry (Pergamon Press, Oxford, 1966). 2. A History of Analytical Chemistry, edited by H. A. Laitinen and G. W. Ewing (American Chemical Society, Division of Analytical Chemistry, Printed by The Maple Press Co., York, Pennsylvania, 1977). 3. G. D. Christian, “Evolution and Revolution in Quantitative Analysis,” Anal. Chem., 67, 532A (1995). 4. G. D. Christian, “International Meeting Examines Analytical Curricula,” Anal. Chem., ac educator, April 1, 2002, 219A. 5. P. R. Griffiths, “Whither “quant”? An examination of the curriculum and testing methods for quantitative analysis courses taught in universities and colleges in the Western USA,” Anal. Bioanal. Chem., 391, 875 (2008).

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Chemical Analysis

Fluorescent probes for detection of reactive oxygen speicies and hydrogen sulfide Dejian Huang1,2, Yan Yan1, Wei Chen1, Haixia Wu1 1

Food Science and Technology Programme, Department of Chemistrty, National University of Singapore, 3 Science Drive 3, Singapore 117543 2

National University of Singapore (Suzhou) Research Institute, 377 Lin Quan Street, Suzhou Industrial Park, Jiangsu, People's Republic of China, 215123 Presenting author: [email protected]

Reactive oxygen species (ROS) play many critical roles in biology and medicine. Due to the diversity and reactivity, it has been a challenge in detecting and quantifying the ROS particularly in situ in biological systems. Photoluminescent approach is the method of choice because of its potential advantage with high sensitivity, selectivity, and compatibility with living cells. There is great demand on photoluminescent molecular and nanoprobes with desired selectivity and sensitivity for chemical biology research. In this talk, I will illustrate two type of probes developed in my lab through rationale design and fabrication. Semiconductor nanocrystals (quantum dots, or QDs) based nanoprobes were prepared through chemical modification and functionalization on the QD surface. The tailor-made QDs show good sensitivity and selectivity towards nitric oxide, hypochlorite, and singlet oxygen respectively depending on the functional groups coated on the QD surface. Organoselenium fluorescent probes were prepared and the nonfluorescent compounds (due to Se) show distinctly different reactivity pattern towards hydrogen peroxide and hypochlorite enabling highly sensitive and selective detection of them. Nitrogen dioxide (NO2) probe based on Ni(II) dithiocarbamate complexes will be presented on its application in highly sensitive and selective detection of NO2 in air and RAW 264.7 cell line model. Finally, an NIR fluorescent probe for selective detection of H2S will be illustrated.

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Chemical Analysis

Electroanalysis In Biomedical And Pharmaceutical Sciences Jean-Michel Kauffmann Université libre de Bruxelles (ULB)-Faculty of Pharmacy-Campus Plaine CP 205/6- 1050 Bruxelles, Belgium [email protected]

Continuous progress in technology and instrumentation development has substantially impacted analytical chemistry and especially electroanalysis. Pocket size powerful potentiostats, miniaturized electrochemical cells eventually in disposable configuration, new solid material as working electrode and numerous nano(bio)materials have been implemented for surface modification for improved measurements in terms of selectivity and sensitivity. The present communication will be devoted to illustrate some recent trends in electroanalysis for the determination of compounds of pharmaceutical and biomedical interest. Particular focus will be devoted on current research results in author’s lab on the determination of several physiological relevant thiols by amperometry at enzyme immobilized electrodes and at silver electrodes.

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Chemical Analysis

Investigating The Chemistry Of The Oceans Using Flow Injection Analysis Paul Worsfold Biogeochemistry Research Centre, Plymouth University, Drake Circus, Plymouth PL48AA, Devon, UK. Email: [email protected]

To improve our understanding of the linkages between trace element biogeochemistry and marine processes, e.g. eutrophication, climate change, productivity and ocean circulation, a detailed knowledge of their oceanic distribution, sources, sinks and cycling is required. This necessitates reliable and accurate methods for the determination of trace elements in seawater, ideally with a high sample throughput and shipboard deployment capability to provide a high degree of temporal and spatial resolution. Additional analytical challenges include the need for sub-nanomolar detection limits, seawater matrix interferences and the high risk of contamination. This presentation overviews the application of flow injection (FI) techniques [1] to the determination of important trace elements, e.g. phosphorus, iron, cobalt, zinc, aluminium and plutonium, in marine waters. Shipboard and laboratory based FI methods are considered with spectrophotometric, luminescence and ICP-MS detection. Analytical method development and the linkages between flow injection data and other physico-chemical and biological parameters are discussed. The benefits of intercomparison exercises and more detailed uncertainty estimates for all aspects of the analytical process are also considered.

[1] E.A.G. Zagatto, C.C. Oliveira, A. Townshend and P.J. Worsfold, Flow analysis with spectrophotometric and luminometric detection, Elsevier Handbooks in Analytical Science Series, 471 pp, Elsevier, 2012.

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Chemical Synthesis

Bridging the Gap between Homo & Heterogeneous Asymmetric Catalysis with Organometallics a

Kuiling Ding State Key Laboratory of Organometallic Chemistry, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, 345 Lingling Lu, Shanghai 200032, P. R. China Fax: (+)-86-21-64166128, E-mail: [email protected]

Development of practical protocols for asymmetric synthesis of optically active compounds represents a grand challenge in the area of chiral chemistry, in which the efficiency and the recyclability of the chiral catalysts are key issues. As our continuing effort to overcome the challenging issues in homo and heterogeneous asymmetric catalysis, two strategies will be discussed in this presentation. The first part of the talk will focus on the development of highly efficient chiral catalyst systems based on the mechanistic understanding of the catalysis.[1] Some examples of phosphorous ligands employed for generation of homogeneous chiral catalysts are shown in Figure 1. R

R O

N

O

N

O

P N

R'

Ar2P

N

R''

R

O

O O PAr2 Ar2P

DpenPhos

SpinPHOX

(R,R,R)-(+)-SKP

Figure 1. Representative chiral ligands for homogeneous asymmetric catalysis. The second part will present a conceptually new strategy, i.e. “self-supporting” approach, [2] for the immobilization of homogeneous catalysts through self-assembly of chiral multi-topic ligands and metal ions without using any support (Figure 2). The application of this strategy was demonstrated in heterogeneous catalysis of asymmetric carbonyl-ene, sulfoxidation and epoxidation, as well as in asymmetric hydrogenation reactions.

Figure 2. A self-supporting strategy for chiral catalyst immobilization. References [1] For a review, see: (a) Ding, K. Chem. Commun. 2008, 909. For new examples, see: (b) Liu, Y.; Ding, K. J. Am. Chem. Soc. 2005, 127, 10488. (c) Liu, Y.; Sandoval, C. A.; Yamaguchi, Y.; Zhang, X.; Wang, Z.; Kato, K.; Ding, K. J. Am. Chem. Soc. 2006, 128, 14212. (d) Zhang, J. Z.; Li, Y.; Wang, Z.; Ding, K. Angew. Chem. Int. Ed, 2011, 50, 11743. (e) Dong, K. W.; Wang, Z.; Ding, K. J. Am. Chem. Soc. 2012, 134, 12474. (f) Han, Z.; Wang, Z.; Zhang, X.; Ding, K. Angew Chem. Int. Ed. 2009, 48, 5345. (g) Zhang, Y.; Han, Z.; Li, F.; Ding, K.; Zhang, A. Chem Commun. 2010, 46, 156. (h) Wang, X. M.; Han, Z. B.; Wang, Z.; Ding, K. Angew. Chem. Int. Ed. 2012, 51, 936. (i) Wang, X. M.; Meng, F. Y.; Wang, Y.; Han, Z. B.; Chen, Y. J.; Liu, L.; Wang, Z.; Ding, K. Angew Chem. Int. Ed. 2012, 51, 9276. [2] For reviews, see: (a) Wang, Z.; Chen, G.; Ding, K. Chem. Rev. 2009, 109, 322. (b) Ding, K.; Wang, Z.; Wang, X.; Liang, Y.; Wang, X. Chem. Eur. J. 2006, 12, 5188. (c) Wang, X.; Ding, K. J. Am. Chem. Soc. 2004, 126, 10524. (d) Liang, Y.; Jing, Q.; Li, X.; Shi, L.; Ding, K. J. Am. Chem. Soc. 2005, 127, 127, 7694. (e) Shi, L.; Wang, X.; Sandoval, C. A.; Li, M.; Qi, Q.; Li, Z.; Ding, K. Angew. Chem. Int. Ed. 2006, 45, 4108. (f) Shi, L.; Wang, X.; Sandoval, C. A.; Wang, Z.; Li, H.; Wu, J.; Yu, L.; Ding K. Chem. Eur. J. 2009, 15, 9855. (g) Yu, L. T.; Wang, Z.; Wu, J.; Tu, S. J.; Ding, K. Angew. Chem. Int. Ed., 2010, 49, 3627.

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Chemical Synthesis

Progress toward efficient total syntheses of acylfulvenes, a new class of potent antitumor agents Ihsan Erden San Francisco State University, Department of Chemistry and Biochemistry, 1600 Holloway Avenue, San Francisco, CA 94132 USA Illudins M (1) and S (2) are highly cytotoxic sesquiterpenes isolated from the bioluminescent mushroom Omphalotus illudens (Jack O’Lantern mushrooms) and other related fungi. These compounds have been studied extensively for their promising antitumor activity, though their in vivo activity against solid tumor systems was not as impressive. On the other hand, the semisynthetic analogs of illudin S, acylfulvene (3) and hydroxymethylacylfulvene (HMAF) (4), show superior therapeutic index against a variety of solid tumors (breast, lung, colon) in animal models and in particular HMAF has shown exceptional promise in clinical trials against prostate and ovarian cancers. The previous three total syntheses of acylfulvene and HMAF are quite lengthy and surprisingly, none of them utilizes a cyclopentadiene-carbonyl condensation method for the construction of the parent system. We have developed direct routes to the acylfulvene system employing classical fulvene synthesis methodology tailored for sterically hindered carbonyl precursors. Moreover, based on the established mechanism for biological activity of acylfulvenes, we have designed analogs that may prove to possess superior biological activity to acylfulvenes, and several candidates are currently being screened for anticancer activity. In this talk, details of the synthetic approaches toward the synthesis of acylfulvenes and promising analogs will be presented.

127


Chemical Synthesis

Recent developments :The design and synthesis of phthalocyanines for sensing applications Ayşe Gül Gürek Gebze Institute of Technology, Department of Chemistry, 41400, Gebze, Kocaeli, Turkey [email protected] Metallophthalocyanines have been used for dyes and pigments as inks. Due to their special properties, phthalocyanines and related compounds have attracted much attention as functional materials in many fields, such as nonlinear optical materials, chemical sensor, photodynamic reagents for cancer therapy, electrochromic substances, liquid crystals, and sensitizers in photochemical reactions and photovoltaic cells [1]. We are interested in the chemistry of phthalocyanines for several sensing applications, ranging from the detection of volatile organic compounds [2], pesticides[3], metal anions[4] or pH variation[5] among others. These phthalocyanines as chemical sensor aim at being incorporating into various devices for detection in air or in solution (spin-coated films, gold electrodes, etc…). As chemists, our role is to design molecules combining the desired sensing properties tailored by playing with the metal and substitution pattern of the phthalocyanines, with the relevant functionalizations for further integration into the devices.

Figure 1: The structure of phthalocyanines References 1. K.M. Kadish, K.M, Smith and R. Guilard (Eds.), The Porphyrin Handbook , Vol. 15–20, (Academic Press, San Diego, 2000) 2. S. Harbeck, Ö.F. Emirik, I. Gürol, A.G. Gürek, Z.Z. Öztürk, V. Ahsen, Sens. Actuat.B. Chem. 176, 838 (2013). 3. T. Basova, A. Hassan, F. Yuksel, A.G. Gürek and V.Ahsen, Sens. Actuat. B - Chem. 150, 523 (2010) 4. S.Z. Topal, A.G. Gürek, K. Ertekin, D. Atilla, B. Yenigül and V. Ahsen, Sensor Lett. 8, 336 (2010). 5. S.Z Topal, K. Ertekin, A.G. Gürek, B. Yenigül and V. Ahsen, Sens. Actuat. B - Chem. 156, 236 (2011). Keywords: phthalocyanine, double decker phthalocyanine, chemical sensor, pH sensor

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Chemical Synthesis

Oxazolinylaziridines and Epoxides: Key Players in Organic Synthesis S. Florio Cinmpis Consorzium, Dipartimento di Farmacia-Scienze del Farmaco, University of Bari, Aldo Moro, Via E. Orabona 4, Bari, Italy [email protected] The use of the oxazoline system as masked carboxylic acids and carbonyl compounds, the ability to act as an ortho directing group in the metallation of aromatic rings, the occurrence in natural products and other substances of significant interest, ranks the oxazoline system among the best functional groups in synthetic chemistry. One of the key features of the oxazoline system is the stabilization it can provide to carbanions generated at the a centre of 2-oxazolines. The present communication focuses on generation, reactions and synthetic applications of a-lithiated-aheterosubstituted oxazolines such as oxazolinylaziridines and -epoxides. A number of new reactions will be reported as route to aziridino- and epoxylactones, oxazolinyl-oxazetidines, -cyclopropanes, alkylidene iminooxetanes, cyclopropane-glactones, dihydro-oxazoloisoquinolines, diversely functionalized oxazolines and products that can be derived from them by synthetic elaboration.

It will be also shown that combining bench experiments with spectroscopic investigations and DFT calculations turns out to be useful for the comprehension of the chemistry of aziridine and epoxides, the mechanism of their metalation and the stereochemistry of their reactions. This contributes enormously to increase the synthetic potential of lithiated oxazolines 1-6 and aziridines. References 1. S. Florio, V. Capriati, R. Luisi Current Org. Chem. 2004, 8, 1529-1545. 2. S. Florio, V. Capriati, R. Luisi Synlett 2005, 9, 1359 3. S. Florio, V. Capriati, R. Luisi Chem. Rev. 2008, 108, 1918 4. S. Florio, R, Luisi Chem. Rev. 2010, 110, 5128-5157 5. S. Florio Synthesis 2012, 44, 2872 6. S. Florio Synlett 2013, 24, 1061

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Chemical Synthesis

Recent Progress in Concerto Molecular Catalysis with Bifunctional Catalysts Takao Ikariya Graduate School of Science and Engineering, Tokyo Institute of Technology, O-okayama, Meguro-ku, Tokyo 152-8552, Japan Presenting author: [email protected] Recent advance in conceptually new chiral bifunctional transition metal catalysts promoted asymmetric reactions, the concerto molecular catalysis, is described. This bifunctional molecular catalyst originated from a metal/NH acid-base synergy effect offers a great opportunity to open up fundamental aspects for stereoselective transformation including enantioselective C–heteoatom bond formation and is now realized to be a powerful tool to access chiral compounds in organic synthesis. Noticeably, the ligand modification in the bifunctional molecular catalyst by changing the amine ligands from N-sufonylated diamines to chelating amine ligands such as 2-phosphinoethylamines causes a drastic change in the catalyst performance. I will focus on enantioselective reductive and oxidative transformation including asymmetric hydrogenation and aerobic kinetic resolution of racemic alcohols with our originally developed bifunctional molecular catalysts.

References 1. P. A. Dub and T. Ikariya, J. Am. Chem. Soc. 2013, 135, 14960. 2. P. A. Dub and T. Ikariya, ACS, Catal, 2012, 2, 1718. 3. T. Touge, T. Hakamata, H. Nara, T. Kobayashi, N. Sayo, T. Saito, Y. Kayaki, T. Ikariya, J. Am. Chem. Soc. 2011, 133, 14960. 4. T. Kimura, N. Koiso, K. Ishiwata, S. Kuwata, T. Ikariya, J. Am. Chem. Soc. 2011, 133, 8880. 5. M. Ito, T. Ootsuka, R. Watari, A. Shiibashi, A. Himizu, T. Ikariya, J. Am. Chem. Soc. 2011, 133, 4240. 6. T. Ikariya, Bull. Chem. Soc. Jpn. 2011, 84, 1. 7. I. D. Gridnev, M. Watanabe, H. Wang, T. Ikariya, J. Am. Chem. Soc. 2010, 132, 16637. 8. Y. Hasegawa, I. D. Gridnev, T. Ikariya, Angew. Chem. Int. Ed. 2010, 49, 8157. 9. M. Ito, C. Kobayashi, A. Himizu, T. Ikariya, J. Am. Chem. Soc. 2010, 132, 11414.

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Chemical Synthesis

Molecular Diversity by Design: New Strategies for Heterocycle Synthesis Hiriyakkanavar Ila New Chemistry Unit, Jawahar Lal Nehru Centre for Advanced Scientific Research, Bangalore56006, India [email protected] ‘Small molecule heterocycles’ play important role in both drug discovery and material science research providing one of the richest source of diversity, besides serving as rigid scaffolds for further display of a range of functionalities. Therefore design and development of new pathways leading to efficient synthesis of novel heterocycles, displaying skeletal and functional group diversity is emerging as an important area in both synthetic, medicinal chemistry and material science research. For past several years , our research group has been engaged in design and development of new efficient methodologies for a wide range of substituted and fused five and six membered heterocycles utilizing organosulfur synthons such as polarized ketene dithioacetals and the corresponding N,S- acetals derived from them, as versatile building blocks. We have recently developed and synthesized new class of organosulfur synthons ie. β –(methylthio)-α -/β - aryl/heteroaryl/alkyl acrylonitriles and utilized them for designing new reactions for diverse class molecular entities such as benzo[b]thiophenes, arylacetylenes, functionalized heteroarenes and other novel heterocyclic scaffolds of biological/material importance. Some of our recent results on these new synthetic methods derived from easily accessible organosulfur building blocks involving organometallic methods, radical cyclizations, transition metal catalyzed intramolecular C-C and C-N bond formation, multicomponent reactions, dipolar cycloadditions of metalloisocyanides, domino reactions and simple condensation reactions will be presented in the lecture [1].

1.

Selected recent papers: (a) Review: H. Ila and H. Junjappa Chimia 2013, 67, 17( in special issue on ‘Chemistry in India’ ). (b) S. Vijay Kumar, S. K. Yadav, B. Raghav, H. Ila, K. S. Rangappa J. Org. Chem. 2013, 78, 4960. (c) S. Yugandar, A. Acharya, H. Ila J. Org. Chem. 2013,78, 3948. (d) S. Vijay Kumar, B. Saraiah, n. C. Misra, H. Ila J.Org. Chem. 2012, 77, 10752. (e) V. Amareshwar, N. C. Mishra, H. Ila Org. Biomol. Chem. 2011 9, 5793. (f) P. P. Singh, A. K. Yadav, H. Ila Eur. J. Org. Chem. 2011, 400. (g) T. A. Khan, S. Kumar, C. Venkatesh, H. Ila Tetrahedron 2011, 67, 2961.(h) Misra, N. C., Ila, H. J. Org. Chem. 2010, 75, 5195. (i) Yadav, A. K., Ila, H. Junjappa, H. Eur. J. Org. Chem. 2010, 338.(j) Kumar, S., Ila, H., Junjappa, H. J. Org. Chem. 2009, 74, 7046. (k) Singh, P. P., Yadav, A. K., Ila, H., Junjappa, H. J. Org. Chem. 2009, 74, 5496. (l) Sunderam, G. S. M., Singh, B., Ila, H. Tetrahedron Lett., 2009, 50, 366.(m) Kumar, S., Peruncheralathan, S. Org. Lett. 2008, 10, 965

131


Chemical Synthesis

Organometallic Macrocycles and Cages: From Molecules to Materials and Their Application Guo-Xin Jin Department of Chemistry, Fudan University, Shanghai, 200433, P. R. China The construction of new inorganic and organometallic macrocycles with interesting structural features and 1

technologically useful functions have been topics of intense study with considerable potential. One of the chief motivating factors to growth in this field is the development of new, functional and tunable donor building blocks that can bridge transition metals. Ideal building blocks should be easily accessible, exhibit high affinities toward transition metals, and possess facial coordination sites can undergo exchange reactions with various ligands.

Motivated by interest in supramolecular chemistry with organometallic half-sandwich complexes, we have initiated a new approach for preparing organometallic macrocycles via C-H and B-H activations with Terephthalate and dicarboxylate carborane.

2

We report herein an efficient method for synthesizing molecular macrocycles of half-sandwich iridium and

rhodium complexes via C-H and B-H activation directed muticomponent self-assembly under mild condition. References 1). a). Han, Y.-F.; Jia, W.-G.; Yu, W.-B.; Jin, G.-X. Chem. Soc. Rev., 2009, 3419; b). Han, Y.-F.; Li, H.; Jin, G.-X. ChemComm, (Feature Article) 2010, 46, 6879. 2). a) Han, Y. F.; Jia, W. G.; Lin, Y. J.; Jin, G. X. Angew. Chem. Int. Ed.,, 48, 2009, 6234; b) S-L. Huang, A-Q. Jia, G-X. Jin, ChemComm, 2013, 2403; c) Han, Y.-F.; Jin, G.-X. ChemComm, 2010, 46, 3556; d). Han, Y.-F.; Lin,Y-J.; Jin, G.-X. ChemComm, 2008, 1807; e) Han, Y.-F.; Lin,Y-J.; Jin, G.-X. ChemComm, 2008, 350; f). Wu, T.; Weng, L-H. Jin, G.-X., ChemComm. 2012, 4435; g). Wu, T.; Weng, L-H.; Jin, G.-X. ChemComm. 2012, 48, 4435; h). Yao, Z-J.; Huo; K-H., Jin, G.-X. ChemComm. 2012, 48, 6714; i). Yu, W.-B.; Han, Y.-F.; Jin, G.-X. Chem. Euro. J. 2011, 17, 1863; g). Wang, G. -L.; Lin, Y.-J.; Jin, G.-X. Chem. Euro. J. 2011, 17, 5578；h). Huang, S-L.; Lin, Y-J.; Hor, T. S. A.; Jin, G-X. J. Am. Chem. Soc., 2013 in web (DOI: 10.1021/ja402630g)

132


Hydroperoxide And Hypervalent Iodine-Mediated Oxygenation Reactions Hamdullah Kılıç Faculty of Sciences, Department of Chemistry, Atatürk University, 25240, Erzurum, Türkiye [email protected] Over the past two decades, although several new reagents of hypervalent iodine compounds have been developed and widely used in organic synthesis, the chemistry of peroxyiodanes remains less explored, because they exhibit a high tendency for decomposition [1]. We found that in situ generated peroxyiodane from ligand exchange reaction of a hypervalent iodine compound with hydroperoxide efficiently produces electrophilic peroxyl radical that oxidizes a variety of organic compounds when appropriate reaction conditions are chosen (Scheme1).

Me L

t -BuOO

Ph

R = t -Bu O

I

1

+ R OOH

L

O2

O O Me

R=H

hy per v al ent i od i ne

iPr

iPr

Scheme 1: Oxygenation of Organic Substrates with Hypervalent Iodine/Hydroperoxide System .

For example, the tert-butyloxidanyl radical (t-BuOO ) generated by the [bis(trifluoroacetoxy)iodo]benzene (PIFA)/t-BuOOH system exhibits high oxidation efficiency towards benzylic and allylic substrates, yielding the corresponding α,β-unsaturated enones in good yields. Aromatic hydrocarbons are smoothly oxidized to the corresponding quinone. Treatment of PIFA with 1 hydrogen peroxide produces singlet molecular oxygen ( O2), as evidenced by chemical trapping experiments and the 1 specific chemiluminescence detection of O2 at 1270 nm. With the mechanistic understanding of the singlet oxygen generation from the PIFA/H2O2 system, a novel method was developed for the singlet oxygen generation from hydroperoxide, based on the in situ generation of a hypervalent iodine.

1. 2. 3. 4. 5.

References N. A. Milas, B. Plesnicar, J. Am. Chem. Soc. 90, 4450-4453 (1968). M. Catir, H. Kilic Synlett 1180–1182 (2003). M. Catir, H. Kilic Synlett 2151–2154 (2004). M. Catir, H. Kilic, N.–R. Véronique, J.–M. Aubry, C. Kazaz J. Org. Chem. 74, 4560–4564 (2009). M. Catir, H. Kilic Synlett 1319–1322 (2010).

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Biomimetic Metal-Oxygen Intermediates in Dioxygen Activation Chemistry Wonwoo Nam Department of Bioinspired Science, Department of Chemistry and Nano Science, Ewha Womans University, Seoul, Korea Dioxygen is essential in life processes, and enzymes activate dioxygen to carry out a variety of biological reactions. One primary goal in biomimetic research is to elucidate structures of reactive intermediates and mechanistic details of dioxygen activation and oxygenation reactions occurring at the active sites of enzymes, by utilizing synthetic metal-oxygen complexes. A growing class of metal-oxygen complexes, such as metal–superoxo, –peroxo, –hydroperoxo, and –oxo species, have been isolated, characterized spectroscopically, and investigated in various oxygenation reactions. During the past decade, we have been studying the chemical and physical properties of various reactive intermediates in oxygenation reactions, such as high-valent iron(IV)- and manganes(V)-oxo complexes of heme and non-heme ligands in oxo-transfer and C-H activation reactions, non-heme metal-peroxo complexes in nucleophilic reactions, and non-heme metal-superoxo complexes in electrophilic reactions. The effects of supporting and axial ligands on structural and spectroscopic properties and reactivities of metal-oxygen adducts have been extensively investigated as well. In this presentation, I will present our recent results on the reactivities of various metal-oxygen intermediates in electrophilic and nucleophilic oxidation reactions. The synthesis and structural and spectroscopic characterization of mononuclear nonheme metal-dioxygen intermediates will be discussed as well.

Some Selected Papers (1) Cho, J.; Sarangi, R.; Nam, W. Acc. Chem. Res. 2012, 45, 1321 – 1330. (2) Cho, J.; Jeon, S.; Wilson, S. A.; Liu, L. V.; Kang, E. A.; Braymer, J. J.; Lim, M. H.; Hedman, B.; Hodgson, K. O.; Valentine, J. S.; Solomon, E. I.; Nam, W. Nature 2011, 478, 502–505. (3) Fukuzumi, S.; Kishi, T.; Kotani, H.; Lee, Y.-M.; Nam, W. Nature Chem. 2011, 3, 38-41. (4) Fukuzumi, S.; Morimoto, Y.; Kotani, H.; Naumov, P.; Lee, Y.-M.; Nam, W. Nature Chem. 2010, 2, 756-759. (5) Cho, J.; Sarangi, R.; Annaraj, J.; Kim, S. Y.; Kubo, M.; Ogura, T.; Solomon, E. I.; Nam, W. Nature Chem. 2009, 1, 568-572. (6) Nam, W. Acc. Chem. Res. 2007, 40, 465; Guest editorial in a special issue on “Dioxygen Activation by Metalloenzymes and Models”. (7) Nam, W. Acc. Chem. Res. 2007, 40, 522-531. (8) Bukowski, M. R.; Koehntop, K. D.; Stubna, A.; Bominaar, E. L.; Halfen, J. A.; Münck, E.; Nam, W.; Que, L., Jr. Science 2005, 310, 1000-1002. (9) Rohde, J.–U.; In, J.–H.; Lim, M. H.; Brennessel, W. W.; Bukowski, M. R.; Stubna, A.; Münck, E.; Nam, W.; Que, L., Jr. Science 2003, 299, 1037-1039.

134


Catalytic Direct Arylation Polymerization: Scope and Mechanism Fumiyuki Ozawa Institute for Chemical Research, Kyoto University and JST ACT-C, 611-0011, Kyoto, Japan [email protected] The palladium-catalyzed dehydrohalogenative coupling of heteroarenes with aryl halides (so-called direct arylation), which does not need prepreparation of organometallic reagents, has emerged as a viable alternative to conventional cross-coupling reactions [1]. Although this catalysis should be widely applicable, its utilization for constructing functional molecules has been poorly developed until very recently. In 2010, we have documented the first successful example of direct arylation polymerization, in which 2-bromo-3-hexylthiophene is converted to a highly head-to-tail regioregular poly(3-hexylthiophene) (HT-P3HT) with high molecular weight in quantitative yield [2,3]. Thereafter, several research groups including us have succeeded in synthesizing alternating copolymers of heteroarenes via direct arylation [4,5]. The resulting products are -conjugated polymers that have found wide application in optoelectronic devices such as photovoltaic cells and field-effect transistors.

This presentation will describe the following topics. (1) Highly regioregular synthesis of HT-P3HT. (2) Synthesis of end-capped regioregular HT-P3HTs. (3) Synthesis of alternating copolymers with high molecular weights. A detailed mechanism of direct arylation will also be discussed based on experimental and theoretical investigations for well-defined models of catalytic intermediates [6]. References 1. L. Ackermann, R. Vicente, and A. R. Kapdi, Angew. Chem. Int. Ed. 48, 9792 (2009). 2. Q. Wang, R. Takita, Y. Kikuzaki, and F. Ozawa, J. Am. Chem. Soc. 132, 11389 (2010). 3. Q. Wang, M. Wakioka, and F. Ozawa, Macromol. Rapid Commun. 33, 1203 (2012). 4. M. Wakioka, Y. Kitano, and F. Ozawa,  Macromolecules 46, 370 (2013). 5. For related studies from other research groups see: F. Grenier, P. Berrouard, J.-R. Pouliot, H.-R. Tseng, A. J. Heeger, and M. Leclerc, Polym. Chem. 4, 1836 (2013); J. Kuwabara, Y. Nohara, S. J. Choi, Y. Fujinami, W. Lu, K. Yoshimura, J. Oguma, K. Suenobu, and T, Kanbara, Polym. Chem. 4, 947 (2013), and references cited therein. 6. M. Wakioka, Y. Nakamura, Q. Wang, and F. Ozawa, Organometallics 31, 4810 (2012).

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100 Years of Metal Coordination Chemistry: From Alfred Werner To Diagnosis And Therapy Peter J. Sadler Department of Chemistry, University of Warwick, Coventry CV4 7AL, UK E-mail: [email protected] Alfred Werner won the Nobel Prize for Chemistry in 1913 for his work on “the linkage of atoms in molecules … especially in inorganic chemistry” [1]. He introduced the concept of secondary valence (coordination number) for transition metals and distinguished it from primary valence (oxidation state), and he explained the origin of geometrical and optical isomers. He 6 III II III II III IV worked especially on low-spin d metal complexes (including Co , Ru , Rh , Os , Ir and Pt ) because they are stable enough (kinetically-inert) to allow their isolation, purification and study by various physical techniques [2]. His work laid the foundation for the current use of metal complexes in medicine, including widely used Gd MRI contrast agents and Pt anticancer drugs. Metal complexes offer a highly versatile platform for the design of drugs with novel mechanisms of action [3]. Here I 6 describe our recent work on the design of low-spin d precious metal anticancer complexes: half-sandwich organometallic II II III IV Ru [4] and Os [5] arene complexes, Ir cyclopentadienyl complexes [6], and photoactivatable octahedral Pt complexes [7]. I will show that their reactivity depends not only on the electronic configuration, but also on the types of coordinated II ligands. Some of the complexes are more potent than the Pt complexes in current clinical use, and also are not crossresistant with Pt. Complexes with labile ligands can target DNA, whereas more inert complexes can have redox mechanisms of action. The latter can involve ligand-based oxidation and reduction, as well as hydride transfer from coenzyme NADH. This can lead to attack on mitochondria and the production of reactive oxygen species (ROS). Acknowledgements We thank the ERC (Grant No. 247450), IAS University of Warwick, BBSRC, EPSRC, and Science City (AWM/ERDF) for support, and EC COST Action CM1105 for stimulating discussions. References 1. "The Nobel Prize in Chemistry 1913". Nobelprize.org. 4 May 2013 http://www.nobelprize.org/nobel_prizes/chemistry/laureates/1913/index.html. 2. G. B. Kauffman, “Alfred Werner: Founder of Coordination Chemistry” (Springer-Verlag, Berlin, 1966); G.B. Kauffman, Platinum Metals Rev. 41, 34 (1997). 3. A.L. Noffke, A. Habtemariam, A.M. Pizarro and P.J. Sadler, Chem. Commun. 48, 5219 (2012); N.P.E. Barry and P.J. Sadler Chem. Commun. 49, 5106 (2013). 4. I. Romero-Canelón, L. Salassa and P.J. Sadler, J. Med. Chem., 56, 1291 (2013). 5. Y. Fu, M.J. Romero, A. Habtemariam, M.E. Snowden, L. Song, G.J. Clarkson, B. Qamar, A.M. Pizarro, P.R. Unwin and P.J. Sadler, Chem. Sci. 3, 2485 (2012). 6. J. Hearn, I. Romero-Canelón, B. Qamar, Z. Liu, I. Hands-Portman and P.J. Sadler, ACS Chem. Biol. PMID:23618382 in press (2013). 7. J.S. Butler, J.A. Woods, N.J Farrer, M.E. Newton and P.J. Sadler, J. Am. Chem. Soc. 134, 16508 (2012).

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Chemical Synthesis

Functionalization of Pyrroles: Construction of Porphyrins, Porphyrinoids and Bicyclic 5-5 Systems C. Unaleroglu Hacettepe University, Department of Chemistry, 06800 Beytepe, Ankara, TURKEY [email protected] Heterocyclic compounds are synthetic targets of interest because of their value for biological and chemical uses. Functionalized pyrroles are important precursors in the synthesis of bicyclic 5-5 systems with one ring junction nitrogen atom such as pyrrolizines [1] and for oligopyrrolic structures that take a wide research area in synthetic studies as the subunits of porphyrins, corroles, expanded porphyrins, etc. Meso-substituted porphyrins and porphyrinoids are important macrocyclic aromatic compounds in organic chemistry due to their widespread applications as catalysts, sensors, molecular electronic devices, photosensitizers in photodynamic therapy (PDT), and so on [2]. Pyrrole and dipyrromethane play an efficient role in organic synthesis as the building blocks of macrocyclic structures, while the usage of tripyrrane and tetrapyrrane compounds is less common because of the difficulties in the synthesis and purification and also in the storage of these compounds due to their unstable nature. Addition reaction of pyrrole to N-sulfonyl aldimine is a new approach for the preparation of of meso-substituted dipyrromethanes, tripyrranes and tetrapyrranes [3]. The work is expanded to the synthesis of porhyrins, contracted porphyrins (corroles) and expanded porphyrins by using N-tosyl imines as a new reagent in porphyrin chemistry. In the whole process, reusable and recoverable metal triflates were used as Lewis acid catalysts.

References 1. A. R. Katritzky, C. N. Fali, J. Li, J. Org. Chem. 62, 4148-4154 (1997). 2. L. R. Milgrom, The Color of Life: An Introduction of the Chemistry of Porphyrins and Related University Press, Oxford, 1997). 3. B. Temelli, C. Unaleroglu, Tetrahedron 65, 10, 2043-2050 (2009).

Compounds, (Oxford

137


Chemical Synthesis

Preparation of Chiral Organic Conducting Materials and Investigations of Bond Formation In Peri-Naphthalene Systems. Lee Martin,1 Ismail Awheda,1 Matteo Zecchini,1 Nerea Mercadal,1 Mateusz B. Pitak,2 Simon J. Coles,2 Gregory J. Rees,3 John V. Hanna3 and John D. Wallis1 1

School of Science and Technology, Nottingham Trent University, Clifton Lane, Nottingham NG11 8NS, UK. 2 School of Chemistry, University of Southampton, Southampton SO17 1BJ, UK. 3 Department of Physics, University of Warwick, Gibbet Hill Road, Coventry CV4 7AL, UK. Presenting author:[email protected]

Two topics will be presented. Approaches to the preparation of chiral conducting materials will be described, including the synthesis of enantiopure donors such as 1-4, and the preparation of their radical cation salts either by diffusion, e.g. with iodine, or by electrocrystallisation. Enantiopure crystalline materials are of interest because they are less likely to suffer 1 from disorder than racemic ones, and Rikken has demonstrated the occurrence of magneto-chiral anisotropy.

The second part of the talk will describe the characterisation of chemical bonds and molecular interactions using charge density and solid-state NMR studies in peri-naphthalenes such as 5 and 6. The latter is a zwitterion and shows a long C-N bond (1.651 Å) between the peri groups, for which charge density analysis indicates incomplete bond formation. Salts from protonation of 5 and related ketones, involving either O- or N-protonation, offer new substrates for study such as 7 with a hydrogen bond to the pi electrons of a carbonyl group. 1. V. Krstic, S. Roth, M. Burghard, K. Kern, G.L.J.A. Rikken, J. Chem. Phys. 2002, 117, 11315.

138


Controlling diffusion and reaction activity of enzymes in confined DNA nanostructures Loredana Casalis Elettra-Sincrotrone Trieste, Trieste, Italy Nanografted monolayers (NAMs) of short oligonucleotides sequences show novel properties that make them suitable for advanced biosensing applications [1,2]. Moreover, they constitute valuable platforms to address the effects of confinement and crowding on biomolecular functions, providing insight into molecular mechanisms within living organisms. Using molecular manipulation methods, we confine DNA oligomers to form brushy matrices of monolayer patches of controlled, variable density. By means of atomic force microscopy (AFM) measurements and parallel coarse-grain modeling of the DNA nanostructures, we are able to estimate the NAM surface coverage and correlate it to conformational DNA structure and, eventually, to hybridization efficiency [3]. Combining AFM and fluorescence microscopy measurements, we investigated restriction enzyme reaction mechanisms within the confined DNA brushes showing that enzymes from the contacting solution can access the patches (below specific brush densities) only at the matrix sides and, diffusing two-dimensionally into them, and relate these findings to the steric hindrance in the DNA matrix [4]. Finally, by exploiting the different mechanical response of ss- and ds-DNA NAMs, connected to their different flexibility, we studied enzymatic unwinding reactions of different helicases and derived kinetics parameters in a comparative assay [5].

References [1] E. Mirmontaz, M. Castronovo, C. Grunwald, F. Bano, D. Scaini, A.A. Ensafi, G. Scoles, L. Casalis, Nanoletters 8, 4134 (2008) 4134 [2] F. Bano, L. Fruk, B. Sanavio, M. Glettenberg, L. Casalis, C.M. Niemeyer, G. Scoles, Nanoletters 9, 2614 (2009) [3] A. Bosco, F. Bano, P. Parisse, L. Casalis, A. DeSimone, and C. Micheletti, Nanoscale 4, 1734 (2012) [4] M. Castronovo, A. Lucesoli, P. Parisse, A. Kurnikova, A. Malhotra, M. Grassi, G. Grassi. B. Scaggiante, L. Casalis, G. Scoles, Nature Comm. 2, 297 (2011) [5] P. Parisse, A. Vindigni, G. Scoles and L. Casalis, J. Phys. Chem. Lett., 3, 3532 (2012)

139


Layer-by-Layer Assembled Multifunctional Nanoscale Coatings Gero Decher CNRS Institut Charles Sadron, 23 rue du Loess, F-67034 Strasbourg, France and Université de Strasbourg, Faculté de Chimie, 1 rue Blaise Pascal, F-67008 Strasbourg, France Phone: +33 (0) 3 88 41 40 66 Fax: +33 (0) 3 88 41 40 99 E-mail: [email protected] The properties of a material arise from the structural arrangement of its constituents and their dynamics. In nature, a hierarchical organization assures that a required property of a material is realized with a minimum of constituents and a minimum of complexity through processes of evolutionary selection. In the living world functional entities exist on any length scale ranging from atoms to whole organisms, complex properties of "biological materials" such as cellular life emerging at the upper end of the nanoscale. Almost all biological materials are based on a large volume fraction of "soft matter" building blocks of varying complexity underlining the great potential for soft matter science. Consequently, in Materials Science importance is shifting more and more toward new nanoscale materials and nano-organized systems. New materials properties require materials design at the nanoscale and demand the development of new multimaterial nanocomposites. Such systems cannot be prepared other than by multistep fabrication approaches in which classic synthesis is combined with self-assembly techniques. Layer-by-layer assembly is a highly versatile multistep method to prepare a desired hierarchically organized composite material by trapping every compound kinetically in a predetermined spatial arrangement. By engineering the depth of the trapped state of every layer the components can be prevented from rearranging to a globally equilibrated state but can keep some local mobility. This fact allows to design entirely new "Soft Matter Devices" in which dynamics can be controlled through the choice of components (e. g. molar mass or charge density,…) or through assembly conditions (e.g. pH or ionic strength, …). While in classic hybrid (nano)materials the number of different constituents is in the low single digit region, layer-by-layer assembly allows to put literally hundreds of different materials into a single device, the stacking order of which is simply controlled by the deposition sequence. Starting with some key examples, it will be outlined where this nanofabrication technology has arrived today reviewing work from our own and from other teams.

References 1) Layer-by-Layer Assembly of Multifunctional Hybrid Materials and Nanoscale Devices, Emek Seyrek and Gero Decher in Polymer Science: A Comprehensive Reference, Volume 7, Elsevier, 2012, pages 159 – 181. 2) Multilayer Thin Films:

Sequential Assembly of Nanocomposite Materials; Decher, G. and Schlenoff, J. B., Eds.,

Wiley-VCH: Weinheim, Germany, 2012. Completely revised and enlarged edition comprising 2 Volumes.

140


Physical Chemistry

Cold Chemistry in Helium Droplets Wolfgang E. Ernst Institute of Experimental Physics, Graz University of Technology, Graz, Austria

Helium nanodroplets of about 10 nm diameter are generated in a supersonic expansion and represent a finite-size superfluid medium of 0.4 K temperature. They can be doped with one or several atoms or molecules that may form complexes in this cold environment. Very weakly bound species are stable below 1 K, even unusual conformers are observed and can be investigated with any method that is commonly applied to molecular beams: laser spectroscopy and ionization, mass spectrometry, spin resonance, measurements in external electric or magnetic fields [1]. The superfluid helium provides the least interacting matrix material and the individual particles of interest are almost unperturbed. We studied the aggregation of metal clusters, e.g. alkali metals [2] and most recently chromium [3] and copper, with the goal to identify high and low spin states by measuring the circular dichroism in the presence of a magnetic field [4]. In an optically detected electron spin resonance experiment, we determined spin lifetimes and relaxation rates [5]. Hyperfine interaction can be probed with high accuracy (about 100 ppm) showing the very small influence of the surrounding helium [6,7]. Complementary to our experimental investigations, we have performed quantum chemical calculations, primarily focussed on the coupling of electronic and nuclear motion in small metal clusters [8]. The experimental techniques developed over the last years, will be applied to a large variety of cold molecules with topics ranging from the question about electric and magnetic properties of clusters to organic molecular structures. Recently, helium droplets have also been used as confinement for low-temperature reactions of single molecules as they may occur on cold interstellar dust particles. [1] C. Callegari and W. E. Ernst in: Handbook of High Resolution Spectroscopy, Eds. F. Merkt and M. Quack, Vol. 3, p. 15511594, John Wiley & Sons, Chichester, 2011. [2] M. Theisen, F. Lackner, and W. E. Ernst, J. Phys. Chem. A 115, 7005-9 (2011) [3] M. Ratschek, M. Koch, and W. E. Ernst, J. Chem. Phys. 136, 104201-1-6 (2012). [4] G. Auböck, J. Nagl, C. Callegari, and W. E. Ernst, J. Phys. Chem. A 111, 7404-7410 (2007). [5] M. Koch, G. Auböck, C. Callegari, and W. E. Ernst, Phys. Rev. Lett. 103, 035302-1-4 (2009). [6] M. Koch, C. Callegari, and W. E. Ernst, Mol. Phys. 108, 1005-1011 (2010). [7] A. W. Hauser, T. Gruber, M. Filatov, and W. E. Ernst, ChemPhysChem 2013, in print. [8] A. W. Hauser, G. Auböck and W. E. Ernst, in: Vibronic Interactions and the Jahn-Teller Effect : Theory and Applications, (eds. M. Atanasov, C. Daul, P. Tregenna-Piggott), Springer Series: Progress in Theoretical Chemistry and Physics Vol. 23, Chapter 16, p. 301-316, Springer 2012.

141


Physical Chemistry

Simulating the fate of simple molecules at extreme conditions of pressure and temperature

Sandro Scandolo The Abdus Salam International Centre for Theoretical Physics - ICTP

Abstract: Extreme conditions of pressure and temperature such as the ones found in the interiors of planets induce dramatic chemical changes in simple molecules, including dissociation, ionization, and polymerization. Understanding such changes has far ranging implications in chemistry, planetary sciences, geophysics, and materials science. I will illustrate strengths and limitations of density-functional-theory based molecular dynamics in two case studies: the polymerization of CO2 and the dissociation of the planetary mixture CH4/H2O. Molecular CO2 collapses into extended covalently bonded polymeric polymorphs under pressure. Apparent similarities with compressed silica are disproved by simulations, which yield for the crystalline phases evidence for the stability of tetrahedral CO4 units in a wide pressure range. H2O and CH4 are the main constituents of the `ìce" middle layer of Neptune and Uranus, where they form a fluid mixture that undergoes progressive ionization as a function of increasing pressure and temperature along the planetary radius. Simulations show that water ionization has dramatic consequences on the solvation, ionization, and full dissociation of methane.

142


Molecular Reaction and Resulting Assembly in Chemical Environment Investigated by STM Li-Jun Wan Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China E-mail: [email protected] Molecular adsorption and reaction on two-dimensional solid surface is an important subject in chemistry and chemical engineering. With the development of modern science and technology, molecules are used for various new devices and advanced materials. For example, molecular adsorption and reaction will result in different and controllable patterns on solid surface, which are the prerequisite for organic electronic device and important issue in nanoscience and nanotechnology. The molecules in the patterns and assemblies are arranged according to their interaction among molecules and between molecule and adsorbed under-lying substrate with different chemical bondings, typically covalent and non-covalent bonding. The patterns and assemblies could be prepared by chemical process and external stimulation. Therefore, it is a challenge to in-situ fabricate and image the molecular reaction and resulting assembly in chemical environment. In this presentation, we will report the in-situ STM results on molecular patterns by chemical reaction. The main contents include (1) Linear molecular wire formation by photochemical reaction; (2) Electrodeposition of molecular nanopatterns by electrochemical reaction as shown in Fig. 1; (3) chiral and hierarchical molecular architecture with triple components. The technique for high-resolution STM imaging in organic and aqueous solution is also described. Finally, grapheme-like monolayer organic assembly was synthesized by covalent interaction. The procedure and resulted structure are shown in Fig. 2.

Fig.1. Molecular nanopattern by electrochemical reaction

Fig. 2 Schematic illustration of the preparation and structure of grapheme-like organic monolayer by covalent interaction.

References: [1] D. Wang, L. J. Wan, J. Phys. Chem. C (Feature article), 111(2007)16109. [2] L. J. Wan, Acc. Chem. Res., 39(2006)334. [3] R. Wei, G. B. Pan, L. J. Wan, J. Am. Chem. Soc., 130(2008)12123. [4] J. Liu, T, Chen, X. Deng, D. Wang, J. Pei, L. J. Wan, J. Am. Chem. Soc., 133(2011)21010. [5] C.Z. Guan, D. Wang, L.J. Wan, Chem. Commun , 48(2012)2943.

143


Thermochemical Predictions Across The Periodic Table W. Jiang, G. Schoendorff, M. Laury, C. Peterson, A.K. Wilson University of North Texas, Department of Chemistry, 76203-5017, Denton, Texas, U.S.A. Presenting author: [email protected] In the rational analysis and design of molecular species, energetic data is often the most critical information needed. One of the longstanding challenges in computational chemistry, however, is in achieving accurate energetics (i.e., enthalpies of formation, ionization energies) for molecules species across the periodic table, and for molecules of increasing size. Challenges that can be encountered, from limited gauges from experiment for calculations to computational (i.e., computer memory, disk space, and CPU time) limitations, and strategies for addressing these challenges and predicting quantitatively 1,2 accurate energies will be discussed. The importance of the choice of thermochemical pathway, effective gauges and 3 4-6 insight into density functional theory, particularly for transition metal species, and effective ab initio composite schemes are routes that are considered.

References

1. 2. 3. 4. 5. 6.

144

B.R. Wilson, N.J. DeYonker, and A.K. Wilson, J. Comp. Chem. 33, 2032 (2012). K.R. Jorgensen and A.K. Wilson, Comp. Theor. Chem. 991, 1 (2012). W. Jiang, M.L. Laury, M.Powell, and A.K. Wilson, J. Chem. Theor. Comp. 8, 4102 (2012). W.Jiang, N. DeYonker, J. Determan, and A.K. Wilson, J. Phys. Chem. A 116, 870 (2012). W.Jiang, N. DeYonker, and A.K. Wilson, J. Chem. Theor. Comp. 8, 460 (2012). S.A. Nedd, N.J. DeYonker, A.K. Wilson, P.Piecuch, and M.S. Gordon, J. Chem. Phys. 136, 144109 (2012).


Physical Chemistry

Hydrogen atom migration in hydrocarbon molecules induced by intense laser fields Kaoru Yamanouchi, Department of Chemistry, School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033, Japan E-mail: [email protected] 13

2

When hydrocarbon molecules are exposed to an intense laser field whose intensity exceeds ~10 W/cm , a variety of dynamical processes are induced such as multiple ionization, chemical bond rearrangement, and Coulomb explosion. From + our experimental studies [1], it was found that a triatomic hydrogen molecular ion HD2 was produced from the two-body 2+ Coulomb explosion processes of a partially deuterated methanol dication CD3OH . This observation shows that at least three chemical bonds are broken and three new H-H chemical bonds are formed before the Coulomb explosion. + + Furthermore, it was revealed from the observed isotropic angular distribution of HD2 that the formation of HD2 is a slow process whose time scale is comparable with or even longer than the overall rotational motion of a parent dication (~ps). More recently, we found that hydrogen atoms are almost statistically mixed within a partially deuterated ethane dication + + + + CH3CD3 before ejecting H3 , H2D , HD2 , or D3 [2], showing also that the formation of a triatomic hydrogen molecular ion is a slow process. In the present talk, by referring to our recent experimental and theoretical studies, a mechanism of the formation of a triatomic hydrogen molecular ion from a doubly charged hydrocarbon molecule will be introduced.

References [1] T. Okino, Y. Furukawa, P. Liu, T. Ichikawa, R. Itakura, K. Hoshina, K. Yamanouchi, and H. Nakano, Chem. Phys. Lett. 423, 220 (2006). [2] R. Kanya, T. Kudou, N. Schirmel, S. Miura, K.-M. Weitzel, K. Hoshina, and K. Yamanouchi, J. Chem. Phys. 136, 204309 (2012).

145


Macro and Nano Science and Technology

Realization Of Click Chemistry On Poly(2,5-Dithienylpyrrole)S P. Çamurlu1 1

Akdeniz University, Department of Chemistry, 07058, Antalya, Turkey [email protected]

Among conducting polymers, poly(2,5-dithienylpyrrole) derivatives (PSNS) have received considerable attention owing to their low oxidation potential and promising electrochromic properties [1,2]. Until now almost all PSNS derivatives were synthesized via electrochemical or chemical polymerization of SNS monomers prepared by Paal-Knorr reaction generally in low yields. Therefore, structural enrichment of classical SNS based polymers depends mainly on success in monomer synthesis which seriously limits the introduction of different functional groups, especially in terms of bulky acceptor groups. This talk will present our recent work towards utilization of click chemistry on functionalization of PSNSs with various groups through inclusion of functional groups during monomer syntheses and post polymerization functionalization. Our studies suggest the versatility and effectiveness of click chemistry on fine tuning of optoelectronic and redox properties of PSNSs’ depending on the choice of the anchoring unit. With this approach it is possible to achieve ambipolar, multichromic, soluble PSNS derivatives without concerning the limitations of typical Paal-Knorr reaction.

Figure 1: Schematic representation of a) monomer functionalization and b) post polymerization functionalization

References 1. P. Camurlu, C. Gultekin, Z. Bicil, Electrochim. Acta 61, 50 (2012). 2. P. Camurlu, N. Karagoren, React. Func. Polym. 73, 847 (2013).

146



High Performance Polyimides, Polyamides, Conjugated and Metathesis Polymers: Synthesis and Optoelectronic Application Der-Jang. Liaw Department of Chemical Engineering, National Taiwan University of Science and Technology, 10607 Taipei, Taiwan Presenting author: [email protected]; [email protected], [email protected] Various novel high performance polymers such as polyimides, polyamides, conjugated and metathesis polymers were succesfully polymerized by polycondensation, Suzuki coupling reactions and ring-opening metathesis polymerization(ROMP).

Figure 1: High dielectric constant polyimide These new high performance polymers were characterized by NMR, FTIR, EA, GPC, TGA, DSC, etc instruments. The electrochemical, protonation, proton sensor, solvent response, electrochromic, UV-curing, water soluble, transparency, optical, Atom-transfer radical-polymerization(ATRP), self-assembly, low and high dielectric constant, solar cells, transistors, nanomaterial, smart, elastic and mechanical properties of the new advanced functional polymers were studied.

Figure 2: New organosoluble polyamides with rigid and thermal stable films were succesfully polymerized in 1 atm at 25 ℃ References 1. Liaw, D. J., W. H. Chen and C. C. Huang, Polyimides and Other High Temperature Polymers, Edited by K. L. Mittal, VSP Publisher, Vol. 2, 47-70 (2003) 2. D. J. Liaw, Macromolecular Nanostructured Materials, Edited by N. Ueyama, A. Harada, Kodansha(Japan) and Springer(Germany), Chapter 2.2, 80-100 (2004) 3. D.J. Liaw, Chen, T.P., Huang, C.C., Macromolecules 38, 3538 (2005)

147



4. 5. 6. 7. 8. 9. 10. 11. 12. 13. 14. 15. 16. 17. 18. 19. 20. 21. 22. 23. 24. 25. 26. 27. 28.

148

D.J. Liaw, Chen, T.P., Huang, C.C., J. Polym. Sci., Part A: Polym. Chem.,43, 4233 (2005) Liaw, D. J., F. C. Chang, M. K. Leung, M. Y. Chou and K. Muellen, Macromolecules. Vol. 38, pp. 4024 (2005) D. J. Liaw, K. L. Wang, F. C. Chang, Macromolecules. 40, 3568 (2007) Q.D. Ling, Liaw, D.J., Zhu, C., Chan, D.S.-H., Kang, E.T., Neoh, K.G., Prog. Polym. Sci., 33, 917 (2008) D.J. Liaw, Tsai, J.S., Wu, P.L., Macromolecules, 33, 6925 (2000) D.J. Liaw, Liaw, B.Y., Li, L.J., Sillion, B., Mercier, R., Thiria, R., Sekiguchi, H., Chem. Materials, 10,734 (1998) Q.D. Ling, Liaw, D.J., Teo, E.Y.H., Zhu, C., Chan, D.S.H., Kang, E.T., Neoh, K.G., Polymer, 48, 5182 (2007) ( Feature article) D.J. Liaw, Huang, C.C., Kang, E.T., Polymer, 47 , 3057 (2006) W.C. Chao, S.H. Huang, Q. An, D.J. Liaw, Y.C. Huang, K.R. Lee and J.Y. Lai, Polymer, 52, 2414 (2011) W.R. Lian, K.L. Wang, J.C. Jiang, D.J. Liaw, K.R. Lee and J.Y. Lai, J. Mater. Chem., 21, 8597-8604 (2011) W.R. Lian, K.L. Wang, J.C. Jiang, D.J. Liaw, K.R. Lee and J.Y. Lai, J. Polym. Sci., Part A:Polym. Chem. 49, 3248 (2011) W.R. Lian, H.Y. Wu, K.L. Wang, D.J. Liaw, K.R. Lee and J.Y. Lai , J. Polym. Sci., Part A:Polym. Chem. 49, 3673 (2011) D. J. Liaw, K. L.Wang, K.R. Lee and J. Y. Lai, J. Polym. Sci., Part A: Polym. Chem. 45, 3022 (2007) H. Y.Wu, K. L. Wang, D. J. Liaw, K. R. Lee and J. Y. Lai, J. Polym. Sci., Part A: Polym. Chem., 48, 1469 (2010) W. H. Chen, K. L. Wang, D. J. Liaw, K. R. Lee and J. Y. Lai, Macromolecules, 43, 2236 (2010) H. Y. Wu, K. L. Wang, J. C. Jiang, D. J. Liaw, K. R. Lee, J. Y. Lai and C. L. Chen, J. Polym. Sci., Part A: Polym. Chem. 48, 3913 (2010) C. H. Chang, K. L. Wang, J. C. Jiang, D. J. Liaw, K. R. Lee, J. Y. Lai and K. H. Lai, Polymer 51 ,4493 (2010) W. H. Chen, K. L. Wang, W. Y. Hung, J. C. Jiang, D. J. Liaw, K. R. Lee, J. Y. Lai and C. L. Chen, J. Polym. Sci., Part A: Polym. Chem., 48, 4654 (2010) M.C. Chen, D.J. Liaw, Y.C. Huang, H.Y. Wu and Y. Tai, Solar Energy Materials and Solar Cells, 95, 2621 (2011) W.R. Lian, C. Ho, Y.C. Huang, Y.A. Liao, K.L. Wang, D.J. Liaw, K.R. Lee, J.Y. Lai., J. Polym. Sci., Part A: Polym. Chem. 49, 5350–5357 (2011) W.R. Lian, Huang Y.C., Y.A. Liao, K.L. Wang, L.J. Li, C.Y. Su, D.J. Liaw, K.R. Lee, J.Y. Lai. Macromolecules 44, 9550 (2011) Y.C. Huang, Y.A. Liao, K.L. Wang, L.J. Li, C.Y. Su, D.J. Liaw, K.R. Lee, J.Y. Lai. Polymer, 53, 1849 (2012) D.J. Liaw, K.L. Wang, Y.C. Huang, K.R. Lee, J.Y. Lai, C.S. Ha., Prog. Polym. Sci., 37, 907 (2012) C. W. Lin, Y. Tai , D. J. Liaw, M. C. Chen, Y. C. Huang, C.T. Lin, and Y. F. Chen, J. Mater. Chem. 22, 57 (2012) M.C. Chen, S. Kar, D. J. Liaw, W. H. Chen, Y. C. Huang, and Y. Tai, Organic Electronics, 13, 2702 (2012)


The Path to Vibrantly Colored, Processable Electrochromic Polymers John R. Reynolds School of Chemistry and Biochemistry, School of Materials Science and Engineering, Center for Organic Photonics and Electronics, Georgia Institute of Technology, 901 Atlantic Drive, Atlanta, GA 30332-0400 USA Presenting author: [email protected] From an initial observation that went against “the norm” of expectation we began the investigation of the electrochromic (EC) effect of color modulation in pi-conjugated polymers as a function of redox state. Early experiments, utilizing electrochemical polymerization often lead to films with multi-colored states. The structure:property relationships developed have yielded a set of solution processable (spray coated, slot-die coated, and ink jet printed) EC polymers with a complete color palette that spans the visible spectrum with neutral state colors that range from yellow, orange, red, magenta, purple, blue, cyan green, to black that can be switched to a highly transmissive form. Access to these EC polymers has allowed the development of EC devices (absorptive/transmissive and absorptive/reflective types) as characterization platforms which demonstrate how these materials behave in regards to color, spectra, switching speed, lifetime, durability, and bi-stability.

149


Understanding Catalytic Materials at the Molecular Level: From Thermal Chemistry to Photochemistry Emrah Özensoy1 1

Department of Chemistry, Bilkent University, 06800, Ankara, Turkey Presenting author: [email protected]

In this talk, two different genres of TiO2-promoted DeNOx catalysts with NOx storage capabilities will be discussed. The first genre of catalysts to be discussed is TiO2-promoted NOx-Storage Reduction (NSR) catalysts for automotive applications, which function through thermally activated surface processes. Experimental results from ultra-high vacuum (UHV) applications on atomically well-defined planar model catalysts as well as realistic high-surface area (mesoporous) materials will be combined with theoretical Density Functional Theory (DFT) modeling results. Through these results, surface functionalization of conventional NSR materials (i.e. BaO/Al2O3) with TiO2 is presented as an effective strategy to “fine-tune” the surface dispersion of the catalytically active nano-domains, obtain superior NOx storage capacity and enhance tolerance against catalytic sulfur poisoning (Figure 1a). [1] Inspired by the thermally-activated automotive catalysts given above, a new genre of photochemically-activated TiO2-promoted DeNOx catalysts will also be introduced (Figure 1b). These novel photochemically activated systems called “Photocatalytic NOx Oxidation and Storage” (PhoNOS) systems, operate under ambient conditions (25 °C) and offer a hybrid platform combining thermal catalysis and photocatalysis. [2]

(a)

(b)

hν

O

O

O

N

N

O O

TiO2

BaO Al2O3

Figure 1: (a) TiO2-functionalized enhanced NSR catalysts, (b) PhoNOS catalytic concept.

References 1. S. M. Andonova et al. J. Phys. Chem. C, 113, 11014 (2009). S. M. Andonova et al. J. Phys.Chem. C, 114, 17003 (2010). E. Emmez et al. J. Phys. Chem. C, 115, 22438 (2011). R. Hummatov et al. J. Phys. Chem. C, 116, 6191 (2012). 2. A. M. Soylu et al. in preparation (2013), M. Polat et al. in preparation (2013).

150



Nanoelectronics: Molecular Metal Wires And Related Molecular Materialsshie Shie-Ming Peng Institute of Chemistry, Academia Sinica, Taipei, Taiwan Department of Chemistry, National Taiwan University, Taipei, Taiwan. [email protected] We have designed a series of new ligands such as oligo-α-pyridylamines, and used them to construct an unique class of quadruple helix of metal strings. This achievement leads to a new direction to the application of molecular wires in the nanoelectronics. The outline is as follows: I. Linear Metal String Complexes

(1-3)

Synthesis, Structure, Bonding

＊

X

N

N

N

N

M

M

M

M

N m

M

4 X

M = Ni, Co, Cr m = 0, 1, 2, 3 X = Cl, NCS

II. Potential Application as Molecular Metal Wires & Molecular Switches

(4)

＊

STM-bj Study on the Conductivity of Metal Strings

＊

Comparative Study on the I-V Characterisics (Theory V.S. Experiment)

III. Tuning of the Metal Strings

(5-9)

＊

Naphthyridyl Amino Ligands: Low Oxidation Mixed Metal Strings

＊

Asymmetrical Ligands: Toward Molecular Rectifier

＊

Heteronuclear Metal String Complexes

＊ Chiral Quadruple Helixes IV. Conclusion [1] C.-Y. Yeh, C.-C. Wang, Y.-H. Chen and S.-M. Peng, in Redox Systems Under Nano-Space Control, Ed: T, Hirao, Springer, Germany 2006, Ch. 5. [2] S.-Y. Lai, T.-W. Lin, Y.-H. Chen, C.-C. Wang, G.-H. Lee, M.-H. Yang, M.-K. Leung and S.-M. Peng, J. Am. Chem. Soc. 1999, 121, 250. [3] S.-J. Shieh, C.-C. Chou, G.-H. Lee, C.-C. Wang and S.-M. Peng, Angew. Chem. Int. Ed. Engl., 1997, 36, 56. [4] I.-W. P. Chen, M.-D. Fu, W.-H. Tseng, J.-Y. Yu, S.-H. Wu, C.-J. Ku, C.-H. Chen, and S.-M. Peng, Angew. Chem. Int. Ed. Engl. 2006, 5414. [5] (a) C.-H. Chien, J.-C. Chang, C.-Y. Yeh, G.-H. Lee, J.-M. Fang and S.-M. Peng, Dalton Trans. 2006, 2106. (b) C.-H. Chien, G.H. Lee, Y. Song and S.-M. Peng, Dalton Trans. 2006, 3249. [6] M.-M. Rohmer, I. P.-C. Liu, J.-C. Lin, M.-J. Chiu, C.-H. Lee, G.-H. Lee, M. Benard, X. Lopez, S.-M. Peng, Angew. Chem. Int. Ed. Engl. 2007, 46, 3533. [7] I. P.-C. Li, W.-Z. Wang, and S.-M. Peng, Chem. Commun. 2009, 4323-4331. [8] R. H. Ismayilov, W.-Z.Wang, G. H. Lee, C. Y. Yeh, S. A. Hua, Y. Song, M. M. Rohmer, M. Bénard, S.-M. Peng, Angew. Chem. Int. Ed., 2011, 50, 2045-2048. [9] I. P.-C. Liu, C.-H. Chen, S.-M. Peng, Bull. Jpn. Soc. Coord. Chem., 2012, 59, 1-8.

151



Chemistry of Electrochromics for Eyewear, Leathers, and Spandex G. Sotzing1,2, W. Kline1, A. Kumar1, Y. Zhu1, M. Otley1, F. AlHashmi2 1

Department of Chemistry and Polymer Program, University of Connecticut, 06269, Storrs CT, USA 2 Department of Physics, University of Connecticut, 06269, Storrs CT, USA Presenting author: [email protected]

Imagine a world where someone can use their clothing to display their unique fashion, their emotions, to watch a movie, or to blend into or stick out from their surrounding environment and where automotive or home interior furnishings can color transition at a flick of a switch. Textiles are a major component of our daily lives and could provide an ideal setting for displays. However, as a conformal display, textiles pose significantly more challenges over displays composed from smooth, flat surfaces. Our research group has a vision for futuristic wearable fabric displays. Conjugated polymers have been known to color transition upon electron removal or injection, and within the recent decade, a plethora of colors have become available through judicious choice of polymer structure. The distinction of polymer implies that these materials are processable and could have the mechanical capabilities that many conventional polymers possess. Hence, they could have the ability to withstand the ruggedness required in a bendable and stretchable application. Over the past decade, we have devised both a precursor approach and an in-situ approach to achieve color diversity, while simplifying manufacturability. In our precursor approach, we have incorporated 3,4-propylenedioxythiophenes (ProDOT) into the backbone connected via silicon-carbon bonds which can be electrochemically oxidized, to cleave silicon-carbon bonds and form carbon-carbon bonds, in the solid-state generating the electrochromic polymer. The optical properties of this electrochromic polyProDOT are no different from polyProDOT prepared via electrochemical polymerization of ProDOT from electrolyte solution. We have utilized this precursor polymer strategy to prepare electrochromic leathers and spandex. We have also demonstrated electrochemical polymerization of monomer within a solid-gel electrolyte to prepare electrochromic polymers in-situ, and have used this strategy to prepare transparent based devices for eyewear application. Further, we have demonstrated using this in-situ method, high throughput screening in order to precisely achieve any color except green and black.

152



Semiconductor Nanostructures for Light management in Photovoltaic Energy Harvesting 1,2

Rasit Turan, 1,3Hüsnü Emrah Ünalan, 1Fırat Es, 1,2Mustafa Kulakcı

1

Center for Solar Energy Research and Applications (GÜNAM), Middle East Technical University, 06531, Ankara, Turkey 2 Department of Physics, Middle East Technical University, 06531, Ankara, Turkey 3 Department of Metallurgical and Materials Engineering, Middle East Technical University, 06531, Ankara, Turkey Crystalline Si solar cell technology has reached an extremely well maturity level with well-optimized material and process conditions. Further improvements in the cell efficiency and the cost should be based on new and exotic approaches employing new material types and device structures. Among such efforts, light trapping studies are attracting special attention due to the potential improvements both in the cell efficiency and material cost. Light trapping techniques aims at increasing the path length and the number of scattering events of the incident photons, thereby increasing the light absorption. Both reflection and transmission through the cell are significantly reduced in this way. Traditionally, surface texturing and anti reflection coatings have been commonly used for this purpose. Alternatively, Si nanostructures are being extensively studied for light trapping applications in crystalline and thin film solar cell systems. Si nanowires can be formed as vertically aligned and integrated arrays on the surface, which was found to bring remarkable light trapping strength. In this work vertically aligned Si nanowires have been fabricated over large areas using metal assisted etching (MAE) method, which involves etching of silicon wafers in a silver nitrate and hydrofluoric acid based solution. After a detailed parametric study, they were applied to industrial size (156 mm x 156 mm) solar cells. The reflectivity of the device surface was reduced to almost zero for the whole visible spectrum including the blue-violet region. This has blackened the cell’s surface completely. Standard solar cell fabrication procedures have been followed to produce cells with and without nanowires. We found that the nanowire-decorated solar cells reach similar efficiency values as the standard pyramid textured cell, showing the potential of the technique. Optimization studies are needed to improve the device performance. It is found that the metallization needs a special attention due to poor contacting on nanowires

153



Zinc Oxide Nanowires: From Synthesis to Applications Husnu Emrah UNALAN Department of Metallurgical and Materials Engineering, Middle East Technical University, Ankara, Turkey (06800). The large scale synthesis of wide ranging one dimensional nanowires with extraordinary properties have opened new pathways for incorporation into optoelectronic devices. Among semiconducting oxide nanowires, ZnO is one of the most promising materials with its direct wide bandgap and large exciton binding energy. One particular advantage of ZnO nanowires, as opposed to the other semiconducting nanowires/nanotubes, is that they can be synthesized both by solution approaches and chemical vapor deposition methods, depending on the particular application. Solution growth approach for ZnO nanowires is highly appealing because of the low growth temperature and possibility for large area synthesis. In the first part of the talk, I will focus on the synthesis of the ZnO nanowires both at high and low temperatures. I will discuss the effect of synthesis parameters on the morphology of the nanowires. In the second part, I will talk about various devices we fabricated using ZnO nanowires. Devices of interest include flexible organic and dye sensitized solar cells, transistors, field emitters and sensors. Finally, I will conclude my talk with our recent efforts on the utilization of ZnO nanowire arrays as multifunctional antireflection coatings for solar cells and flexible photodetectors.

154



New Approaches for the Preparation of Polymer Nanocomposites Yusuf Yagci Istanbul Technical University, Department of Chemistry. Maslak-İstanbul 34469, Turkey [email protected] Over past decade, synthetic routes to produce polymer nanocomposites have become an important research field in materials science. With recent advances in the use of nanomaterials like metals and layered silicates in combination with polymers, it is now possible to prepare nanocomposites with enhanced physical, chemical and biological properties. Such materials, which combine the properties of polymers with those of nano structures are considered to be promising systems for advanced functional applications. In this presentation, novel approaches for the preparation metal nanocomposites [1, 2] through simultaneous photoinduced electron transfer and polymerization processes will be decribed (Scheme 1).

Scheme 1. Synthesis of polymer/metal nano composites by simlutaneous photoinduced electron transfer and polymerization processes. In our laboratory, we have also focused [3, 4] on the peparation of polymer/clay nanocomposites by in situ polymerization. In this approach, monomer or intitiator functionalities intercalated between clay layers are succefully used in the various polymerization processes including photopolymerization leading to the formation exfoliated structures (Scheme 2). Nano coating on metal surfaces will also be described [5, 6].

Scheme 2. In situ preparation of polymer/clay nanocomposites References: 1. Sangermano, M, Yagci, Y, Rizza, G, Macromolecules, 40, 8827 (2007) 2. Yagci, Y, Sangermano, M, Rizza, G, Macromolecules, 41, 7268 (2008) 3. Oral, A, Tasdelen, MA, Demirel, AL, Yagci, Y, Polymer, 50, 3905 (2009) 4. Yenice, Z, Tasdelen, MA, Oral, A, Guler, C, Yagci, Y, J. Polym. Sci. Polym. Chem.,47, 2190 (2009) 5. Yilmaz G, Iskin B, Yilmaz F, Yagci Y, ACS Macro Letters, , 1, 1212 (2012) 6. Gam-Derouich S, Lamouri A, Redeuilh C, Decorse P, Maurel F, Carbonnier B, Beyazit S, Yilmaz G, Yagci Y, Chehimi MM, Langmuir, 28, 8035 (2012)

155


Green Sustainable and Environmental Chemistry

From Classic to Emerging Contaminants in the Aquatic Environment – A 50 Years' Retrospect and a Current Progress Report Walter Giger GRC, Giger Research Consulting, 8049 Zurich, Switzerland [email protected] Organic pollutants are a highly relevant topic in environmental science and technology. This lecture briefly reviews historic developments and then focuses on the current state of the art and future perspectives of qualitative and quantitative trace determinations of polar organic contaminants that are of particular concern in municipal and industrial wastewater effluents, ambient surface water, run-off water, atmospheric water, groundwater and drinking water. The pivotal role of advanced analytical methods is emphasized and an overview of some pollutant classes is presented [1]. In the first part of this presentation, organic micropollutants are discussed from a historical perspective by alluding to some key players, milestones and major types of activities. The crucial role of the advances made in the methods for trace determinations of organic chemicals is highlighted. A classification scheme for organic contaminants is proposed based on their polarity and volatility properties [1]. During about four decades the prevailing focus in analytical environmental chemistry was on volatile and semivolatile nonpolar contaminants, because gas chromatography (GC) provided an excellent separation technique for this type of pollutants. In particular, analytical methods using mass spectrometry directly coupled to gas chromatography (GC/MS) played a key role for qualitative and quantitative determinations of contaminant traces in the environment. Polar and amphiphilic contaminants, however, could only be determined by GC after derivatization to more volatile species or by liquid chromarography [2]. Since about the mid 1990ies liquid chromatography directly coupled to mass spectrometry (LC/MS) became a routinely applicable and robust method based on new ionization techniques such as electrospray ionisation and atmospheric pressure chemical ionization. LC/MS enables a much better coverage of polar/hydrophilic and amphiphilic contaminants [3]. The extremely high selectivity and sensitivity of multiple reaction monitoring techniques in tandem/multi-stage quadrupole and ion-trap mass spectrometry make it feasible that complex mixtures can be analysed [4]. The analytical trend is that semivolatile contaminants will also be determined by LC/MS and that multi-component methods are applied across several compound classes. Current developments include the use of large-volume injection LC/MS and of high-resolution MS [5]. In addition, the comprehensive two-dimensional GC/time-of-flight MS is another very promising for forensic purposes in environmental chemistry [6]. References 1. 2. 3. 4. 5. 6.

156

W. Giger Analyt. Bioanalyt. Chem. 393, 37–44 (2009). W. Giger et al. Phil. Trans. Royal Soc. A 367, 3941–3963 (2009). W. Giger et al. Chimia 57, 485–491 (2003). C.A. Huset et al. Environ. Sci. Technol. 42, 6369–6377 (2008). F. Busetti et al. Analyt. Bioanalyt. Chem. 402, 175–186 (2012). P. Eganhouse et al. Environ. Sci. Technol. 43, 9306–9313 (2009).



Towards Green Polymers Philip Hodge* Department of Chemistry, University of Manchester, UK

Many commercially important polymers are condensation polymers, such as PET, PBT and PEN. These are usually formed from a diacid or diester and a diol. Their synthesis usually requires vigorous conditions in order to eliminate the condensate with the high efficiencies needed to obtain polymers with useful properties. Such polymers can be recycled by hydrolyzing or by transesterifiying the ester linkages. Another way forward that is becoming of increasing interest is to exploit classical ring-chain equilibria (RCE): see Scheme. These have the interesting features that (i) at low concentrations they lie almost entirely on the side of macrocyclic oligomers (MCOs), and (ii) that at high concentrations they lie heavily on the side of the polymer.

Using RCE, condensation polymers can be degraded to MCOs. The process is termed cyclo-depolymerization (CDP). These can then be repolymerized. The latter process is termed entropically-driven ring-opening polymerization (ED-ROP). Advantages of ED-ROPs include the fact that large strainless rings can be polymerized, no small molecules are eliminated, and little or no heat is generated. 1

The lecture will assess progress made so far, focusing mainly on the synthesis of polyesters and olefin-containing polymers, and the use of enzymes. Reference 1.

P. Hodge, H. M Colquhoun, Poly. Adv. Tech., 2005, 6, 84-94.

* E-mail: Philip.hodge@manchester, ac uk. Fax : UK 01524 793 252.

157



First Refinery Results Of Mesostructured Y Zeolites As Hierarchical Fcc Catalyst M. Rico1, A. Grau1, Kunhao Li,2 J. Garcia-Martinez1,2 1

Molecular Nanotechnology Lab., University of Alicante, Alicante, Spain, www.nanomol.es 2 Rive Technology, Inc., Monmouth Junction, New Jersey, USA www.rivetechnology.com Presenting author: [email protected]

For the first time, mesostructured zeolite Y was successfully manufactured at the commercial scale by a unique postsynthetic surfactant-templated process [1]. Zeolite Y has been the primary active component of fluid catalytic cracking (FCC) catalysts since its first commercial introduction about 50 years ago. We recently developed a novel and versatile surfactanttemplating process for introducing highly-controlled mesoporosity into any zeolite of any Si/Al ratio [2,3]. The mesostructured zeolite Y was prepared by a surfactant-templated process, scaled up, for the first time, from lab scale to the commercial one (∼30 ton) and tested in a refinery. The FCC catalyst made from the mesostructured zeolite Y showed excellent hydrothermal stability in both laboratory deactivation and a trial in a full scale commercial FCC unit. The catalyst also yielded much improved product selectivity compared to the incumbent catalyst. The results represent the most advanced development to date of mesostructured zeolite Y in catalytic cracking of petroleum.

Catalyst change-out Catalyst to oil ratio Conversion, wt% Yield, wt% Dry gas LPG Gasoline LCO Bottoms Coke

Incumbent 0% 6.3 70.0

GRX-3 66% 6.2 70.0

1.5 16.0 49.4 19.2 10.8 3.1

1.4 16.4 49.4 19.5 10.5 2.8

Figure 1: (Left) TEM images of (a) the starting NaY, (b-d) mesostructured Y zeolites at various magnifications (c and d are the close-up images of the red-boxed regions of the corresponding crystals, which clearly show the co-existence of the mesopores and the crystal lattice fringe lines). (Right) ACE test results of the equilibrium catalysts before the trial and at the end of the trial (@66% GRX-3).

References 1. J. García-Martínez, K. Li, G. Krishnaiah, Chem. Commun. 48, 11841 (2012). 2. J.Y. Ying, J. García-Martínez, US Patent No. 7,589,041 B2 (2009); J. García-Martínez, M. Johnson, US 20080138274 (2008) and US 20100021321 (2010); L. Dight, J. García-Martínez, J. Valla, M. Johnson, US 20100190632 (2010). 3. J. García-Martínez, M. Johnson, J. Valla, K. Li, J.Y. Ying, J. Catal.Sci.Technol. 2, 987 (2012).

158



Italian Green Factory: plant extracts for future chemistry in Sardinia Mauro Marchetti Institute of Biomolecular Chemistry – National Research Council of Italy, trav. La Crucca 3, 07100 Li Punti – Sassari, Italy; Mail: [email protected], mobile phone +393386092922, office phone +390792841203 The use of plant as source of chemicals is a very ancient practice, in particular the drugs derived from plants have been used from ancient times to attempt cures for diseases. The classifications of the drugs can be based on the chemical nature of the plant product. In the humanity history many other chemicals have been obtained from plants such as tannins for treatment of leather, molecules for dyes, active product for cosmetics, etc. In the early 1970s, the Nobel price for chemistry Melvin Calvin, began to focus the research interest in plants as a source of fuels [1]; in particular, arose from his interest in the origins of geologic hydrocarbons and from three concerns: 1) the need for renewable hydrocarbon based fuels that would not alter atmospheric CO2 levels; 2) the finite pools of fossil hydrocarbon available; and 3) the need for increased domestic production of fuels and chemical feedstocks. For these purpose, the best plant candidates would be either adaptable to arid, non-agricultural lands, or be rain forest-based to provide an economically and environmentally safe use of tropical land. From that time up today worldwide many research groups have studied the plants as potential sources of molecules for industrial purpose and the natural evolution of this research theme has brought up to the concept of Biorefinery of third generation. At the end of 70s’ our research group in Sassari inspired by the Calvin’s researches began to study the genus Euphorbia in Sardinia [2-4], where many acres of marginal lands are available for not conventional cultures, until now many Mediterranean plants growing in Sardinia have been studied to characterize their content in chemicals compounds. It is noteworthy that in this year in Sardinia (Porto Torres, SS) will born a big factory (Matrìca, a joint venture between ENI and NOVAMONT) with the aim to produce large scale chemicals and polymers from plants. Several examples of phytochemical studies on Sardinia's growing plants and their prospect in the industrial exploitation will be mentioned during the presentation.

References 1. M. Calvin, Chem. Eng. News, 56 (12), 30-36 (1978). 2. M. Marchetti, Boll. Soc. Sarda Sci. Nat., 24, 87-100 (1985). 3. C. Botteghi, L. Conti, M. Marchetti, M. Usai, Phytochemistry, 27, 791-794, (1988). 4. L. Conti, M. Marchetti, F. Soccolini, M. Usai, Phytochemistry, 29, 77-82 (1990).

159



Sustainable chemistry with water soluble phosphines: the enlightening story of PTA as an environmental friendly ligand Maurizio Peruzzini,a Luca Gonsalvi,a Antonella Guerriero,a Frederic Hapiot,b Donald Krogstad,a,§ Eric Monflierb (e-mail: [email protected]) a ICCOM CNR - Via Madonna del Piano, 10 - 50019 Sesto Fiorentino (FI) Italy; bUniversité d’Artois, UCCS-UMR 8181, Lens Cedex, France In this presentation an historical overview of the use of water soluble ligands and complexes in homogeneous catalysis will be outlined with examples coming from both the author's research activities and the work carried out in other laboratories. Particular attention will be given to illustrate the synthesis, coordination chemistry and use of transition metal complexes of various anionic and neutral water soluble phosphines. In particular, the use of transition metal complexes incorporating the PTA (1,3,5-triaza-7-phosphaadamantane) ligand and its derivatives will be described. These studies will be accompanied by the analysis of some catalytic data related to the activity of Ru(II) complexes in hydrogenation reactions under very mild [1] conditions. A library of neutral mono- and bidentate aminophosphines derived from the upper rim functionalization of PTA will be presented together with other modifications of the “lower rim” of PTA (i.e. N-alkylation). Selected Ru(II), Rh(I) and Ir(I) complexes of PTA-functionalized ligands and their application in aqueous and biphasic catalysis will be [2,3] described.

Acknowledgements: Thanks are expressed to MIUR, MATTM and CNR for supporting this research activity through projects PRIN 2009, EFOR, PIRODE and GDRE “Catalyse Homogène pour le Développement Durable (CH2D)” agreement. §

Permanent address: Concordia College at Moorhead, 334F Ivers, Moorhead MN 56562, U.S.A.

[1] D. A. Krogstad, A. Guerriero, A., A. Ienco, M. Peruzzini, G. Reginato, L. Gonsalvi L. Organometallics 2011, 30, 6292 – 6302. [2] N. Six, A. Guerriero, D. Landy, M. Peruzzini, L. Gonsalvi, F. Hapiot, E. Monflier, Catal. Sci. Technol. 2011, 1, 1347 – 1353. [3] J. Bravo, S. Bolaño, L. Gonsalvi, M. Peruzzini, Coord. Chem. Rev. 2010, 254, 555–607.

160



Air Pollution In The Eastern Mediterranean: Chemical Composition And Sources Semra G. Tuncel And Gurdal Tuncel* Chemistry Department, Middle East Technical University (Metu) *Environmental Engineering Department , Metu 06531 Ankara, Turkey Abstract. Eastern Mediterranean atmosphere, is considered as the “crossroads of pollution” as concentrations of various pollutants are found to be higher than concentrations reported for other parts of Europe. Mediterranean is surrounded by anthropogenic sources at the north and natural sources at the south. With this polarity of man-made and natural sources , air pollution at the Eastern Mediterranean is a complex mixture of particles emitted from anthropogenic sources, dust particles transported from arid regions of Africa, Middle East and Arabic Peninsula, sea salt particles generated by the Mediterranean Sea itself and particles generated by atmospheric oxidation of biogenic gases, such as, dimethylsulfide. Our group in the Middle East Technical University has been studying chemical composition of particles and precipitation at Mediterranean coast of Turkey, since 1992. Our major attempt is to understand components of aerosol mixture in the Eastern Mediterranean and where sources of those components are located. Chemical composition of particles and precipitation are used as natural tracers of sources, to answer these questions. 6

Another component with which we are strongly involved is the Saharan dust. Each year 60 – 200 x10 tons of dust is resuspended from Saharan Desert and transported to different parts of the Northern hemisphere. Mediterranean atmosphere receive its share due to its close proximity to dust source areas. Our group has been trying to identify chemical markers that would allow us to trace dust plumes even when they are not visible. Various conclusions we derived from 20 years of our research in the Eastern Mediterranean will be presented in this talk.

161


Life Chemistry

Metallic Nanoparticle-Based Bioassays İsmail Hakkı Boyacı Department of Food Engineering, Hacettepe University, Beytepe, 06800 Ankara, Turkey. Food Research Center, Hacettepe University, Beytepe, 06800 Ankara, Turkey. Presenting author: [email protected] Metallic nanoparticles (MNs) have been the focus of attention of scientists for a long time and are now commonly used for bioassay. MNs can be synthesized and modified for different purposes and this possibility opening a wide range of potential applications of the MNs. One of the hot topics is antenna effect of the MNs in analytical studies. Surface-enhanced Raman scattering (SERS) has been used to obtain molecular information through sharp and easily distinguishable vibrational bands using nano-roughness surfaces. Surface of MNs is commonly used for observation of the SERS signals. This signal is 14 commonly used for detection of (bio)molecules. The SERS technique may provide up to 10 -fold enhancement in Raman signal intensity, and this is sufficient to detect pico- to femtomolar amounts of biomolecules. After discovery of SERS, there have been growing interests on it as a quantitative tool in the analytical sciences. Especially, SERS have been used for biological sensing and the usage of water as a solvent in Raman spectroscopy provides a facility in working for biological samples. In recent studies on microbiology, much attention has focused on SERS due to its attractive capabilities for single molecule detection, obtaining fingerprint signatures of the organism and rapid response time by using gold and silver nanoparticles. Nevertheless, improved instrument technology makes Raman instruments simple and useful and also some experiments have shown that Raman scattering is more enhanced with some special substrates. For this aim, special substrates are prepared using gold and silver nanoparticles. SERS substrates constructed from gold and silver nanoparticles have been used for microorganism, protein, and nucleotide detection. Nanoparticle based biosensors have also been developed using magnetic nanoparticles and silver nanoparticles to detect pathogens. Nanoparticle cluster arrays provided SERS signals and enabled spectral discrimination of bacteria species. Especially, silver and gold colloidal nanoparticle based SERS can be used in routine and rapid screening of bacteria. The present study aims to find out the most proper bioactive surface preparation method to develop rapid, sensitive and selective biosensor, based on Surface Enhanced Raman spectroscopy. This presentation is mainly devoted to the new labeled and label-free applications of Raman spectroscopy in biology for the detection of targeted analyte and especially contributions to biosensors. In this work we have synthesized new specific MNs which are suitable for biomolecules immobilization in order to develop a biosensor for the detection of pathogenics microorganisms, toxins, virus, food components and contaminants. The optimization strategies and the analytical performance of the SERS-based assays will be presented. References 1. U. Tamer, Y. Gundogdu, I. H. Boyaci and K. Pekmez, J. Nanopart. Res., 12, 1187-1196 (2010). 2. E. Temur, I. H. Boyaci, U. Tamer, H. Unsal and N. Aydogan, Anal. Bioanal. Chem., 397, 1595-1604 (2010). 3. E. Temur, A. Zengin, İ. H. Boyacı, F. C. Dudak, H. Torul, U. Tamer, Anal. Chem., 10600−10606 (2012).

162


Life Chemistry

Sugars & proteins: towards a synthetic biology Benjamin G. Davis Department of Chemistry, University of Oxford Mansfield Road, Oxford OX1 3TA, UK E-mail: [email protected] Sugars and Post-Translational Modifications are critical biological markers that modulate the properties of proteins. Our work studies the interplay of proteins, sugars and modifications. Synthetic Biology’s development at the start of this century may be compared with Synthetic Organic Chemistry’s expansion at the start of the last; after decades of isolation, identification, analysis and functional confirmation the future logical and free-ranging redesign of biomacromolecules offers tantalizing opportunities. This lecture will cover emerging areas in our group in chemical protein construction with an emphasis on new bond-forming processes compatible with biology: (i) New methods are required[1-9]: despite 80-years-worth of non-specific, chemical modification of proteins, precise methods in protein chemistry remain rare. The development of efficient, complete, chemo- and regio-selective methods, applied in benign aqueous systems to redesign the structure and function of proteins both in vitro and in vivo[9] will be presented. (ii) ‘Synthetic Biologics’ and their applications[3,10-14]: drug delivery; selective protein degradation; nanomolar inhibitors of bacterial interactions; gene delivery vehicles; radio-dose delivery vehicles; probes of in vivo function and non-invasive presymptopmatic disease diagnosis.

[1] B.G. Davis, Chem. Rev. 2002, 102, 579-601; D.P. Gamblin et al. Chem. Rev. 2009, 109, 131-163 [2] B.G. Davis, Science 2004, 303, 480-482 [3] S.I. van Kasteren et al. Nature 2007, 446, 1105-1109. [4] S.I. van Kasteren et al. Nat. Protoc. 2007, 2, 3185-3194 [5] G.J.L. Bernardes et al. Angew. Chem. Int. Ed. 2008, 47, 2244-2247 [6] G.J.L. Bernardes et al. J. Am. Chem. Soc. 2008, 130, 5052-5053 [7] Y.A. Lin et al. J. Am. Chem. Soc. 2008, 130, 9642-9643 [8] J.M. Chalker et al. J. Am. Chem. Soc. 2009, 131, 16346-16347. [9] C.D. Spicer et al. J. Am. Chem. Soc. 2012, 134, 800-803. [10] M.A. Robinson et al. Proc. Natl. Acad. Sci. USA 2004, 101, 14527-14532 [11] C. Fleming et al. Nat. Chem. Biol. 2005, 1, 270-274 [12] S.I. van Kasteren et al. Proc. Natl Acad. Sci. U.S.A. 2009, 106, 18-23 [13] S.Y Hong et al. Nat. Materials, 2010, 9, 485-490. [14] K.M. Backus et al. Nat. Chem. Biol. 2011, 7, 228-235

163


Life Chemistry

Chemoecological Studies on Bioactive Natural Products from Predatory Molluscs and their Dietary Sponges I Wayan Mudianta1, Andrew M. White1,2, Anne E. Winters2, Karen L. Cheney2, Mary J. Garson1, 1

School of Chemistry and Biomolecular Sciences, The University of Queensland, Brisbane QLD 4072, Australia 2 School of Biological Sciences, The University of Queensland, Brisbane QLD 4072, Australia Presenting author: [email protected] Biomedical screening has led to the clinical use of several marine natural products and their semi-synthetic analogues as anti-cancer agents or as painkillers [1,2]. This remarkable drug discovery and development story has been made possible through technical advances in isolation, purification, and biological assay of marine natural products, including in microscale amounts. However the central core of this research field still remains the correct structural elucidation of novel bioactive compounds from marine sources [3]. Marine molluscs sequester chemicals from their specialised sponge diet in order to defend themselves from potential predators. This talk will describe recent results from our research program on the chemistry of marine molluscs and their dietary sponges with an emphasis on structural and stereochemical information. A chemoecological perspective is then presented based on a “red spot” feeding deterrency assay using the generalist shrimp Palaemon serenus [4], in addition to other biological assays.

Figure 1: (a) Structures of selected marine natural products from sponges and nudibranchs; (b) Acceptance of a “red-spot” marine chemical-treated food pellet by Palaemon serenus. References 1. W. H. Gerwick and B. S. Moore, Chem. Biol. 19, 85-98 (2012). 2. T. F. Molinski, D. S. Dalisay, S. L. Lievens, J. P. Saludes. Nat. Rev. Drug Discov. 8, 69-85 (2009). 3. M. E. Maier, Nat. Prod. Rep 26, 1105-1124 (2009). 4. E. Mollo, M. Gavagnin, M. Carbone, F. Castelluccio, F. Pozone, V. Roussis. J. Templado, M. T. Ghiselin, G. Cimino, Proc. Nat. Acad. Sci. 105, 4582-4586 (2008).

164


Life Chemistry

Amyloid ion channel paradigm for Alzheimer's and other protein misfolding diseases Ratnesh Lal Professor of Bioengineering, Material Sciences, Mechanical and Aerospace Engineering Co-Director, Center for Multiscale Imaging of Living Systems University of California, San Diego Protein misfolding can divert normally folded soluble oligomeric forms to insoluble amyloid fibrils. Amyloid fibrils are linked to protein misfolding diseases, including Alzheimer’s, Parkinson, prion-diseases, Type-II diabetes and other systemic diseases. However, the role of amyloid fibrils in these diseases is not fully substantiated. Growing evidence suggest the disease mechanism linked to small globular amyloids. The most studied amyloid disease is the Alzheimer’s disease (AD) that results from misfolded full-length amyloid beta peptide (Aβ) which form amyloid plaques in AD patients. Truncated amyloid beta fragments are also found in AD amyloid plaques as well as in the preamyloid lesions of Down’s syndrome, a model system for early onset AD study. Very little is known about the structure and activity of amyloids and especially their interactions with membranes. Using complementary techniques of molecular dynamics (MD) simulations, atomic force microscopy (AFM), channel conductance measurements, neuritic degeneration and cell death assays, recent studies from our group show that both the full-length Aβ as well as non-amyloidogenic truncated Aβ peptides form ion channels with loosely attached subunits and elicit single channel conductances. The subunits appear mobile suggesting insertion of small oligomers, followed by dynamic channel assembly and dissociation. Moreover, there appears a degree of polymorphism in channel stoicheometry, size and conformation reflecting heterogeneity in the cellular environmental conditions and complex degenerative effects. We have shown that ten different amyloid peptides related to other protein misfolding diseases form amyloid ion channels and induce cell specific degenerations. I will discuss the biophysical and biochemical mechanism of amyloid structural polymorphism and their role in protein misfolding diseases.

165


Life Chemistry

Recent Investigation of Bioactive Natural Products from Thai Bioresoures Chulabhorn Mahidol Chulabhorn Research Institute and Chulabhorn Graduate Institute 54 Kamphaeng Phet 6 Road, Laksi, Bangkok 10210, Thailand Several living creatures, from the largest trees to the smallest microorganisms, produce natural substances with wide array of unique chemical structures with interesting biological activities. In addition, many local folk medicines contain natural products of plant origin, which remain a largely untapped reservoir of natural compounds with novel chemical structures and unique biological activities. The vast array of known and yet to be discovered plants, microbes, and marine organisms that make natural products is astounding. Therefore continuing research on natural products to discover new bioactive compounds from terrestrial plants, terrestrial microorganisms, marine organisms, terrestrial invertebrates, and vertebrates is important in modern drug development. One common objective of practicing research in the field of natural products is to study plants and other bioresources for chemicals that may serve as lead compounds for further development into new drugs for various diseases. In addition, they may be used as indispensable tools in biomedical research. We have recently investigated Thai medicinal plants Dunbaria longeracemosa and Alangium salviifolium) among others as well as marine organisms and microorganisms for new bioactive natural products. The identification of these compounds by various spectroscopic techniques will be illustrated. In some special cases the unique chemistry as well as the biosynthesis and biological activities exhibited by some of these compounds will be presented. References 1. V. Prachyawarakorn, C. Mahidol, and S. Ruchirawat, Eur. J. Org. Chem., 3803-3808 (2011) 2. P. Pailee, V. Prachyawarakorn, C. Mahidol, S. Ruchirawat, P. Kittakoop, Eur. J. Org. Chem., 3809-3814, (2011)

166


Life Chemistry

Complex protein chemistry in foods hampers allergen risk management Bruno De Meulenaer* NutriFOODchem Unit (member of Food2Know), Department of Food Safety and Food Quality, Ghent University, Coupure Links 653 B-9000 Gent, Belgium ________________

* Corresponding author: Ghent University, Coupure Links 653, B-9000, Belgium. Tel.:+32 92 64 61 66; fax: + 32 92 64 62 15. E-mail address: [email protected] ABSTRACT Food allergy represents an important food safety issue because of the potential lethal effects and the only effective treatment is the complete removal of the allergen involved from diet. However, due to the growing complexity of food formulations and food processing, foods may be unintentionally contaminated via allergen-containing ingredients or crosscontamination. This affects not only consumers’ wellbeing, but also food producers and competent authorities involved in inspecting and auditing food companies. To address these issues, food industry and control agencies rely on available analytical methods to quantify the amount of a particular allergic commodity in a food and thus to decide upon its safety. However, no “gold standard methods” exist for the quantitative detection of food allergens. Especially the complex chemistry to which proteins are subjected to during food processing and preparation affect reliable detection and quantification of allergenic proteins in foods. In this review paper, an overview of the impact of chemical changes during food processing on the detection of allergens in foods will be given. In addition, alternative analytical approaches will be discussed. Finally a strategy to implement an allergen risk management on the level of individual food companies is presented.

167


Life Chemistry

Chemistry of the Nitrogenase P-Cluster Kazuyuki Tatsumi Research Center for Materials Science, Nagoya University Presenting author: [email protected] The metal-incorporating active centers of metalloenzymes play a major role in regulating highly efficient/selective enzymatic functions. In particular, the research on reductases and related metalloenzymes has progressed rapidly in recent years, unraveling novel structures and functions of the cluster active centers and greatly expanding the established knowledge of chemistry. Newly discovered reductases show remarkable activities, exemplified by nitrogenases catalyzing the reduction of dinitrogen into ammonia. The active sites of nitrogenase are made of unprecedented transition metal sulfide clusters, which have been long-standing targets of synthetic chemists and are extremely challenging due to the instability and complexity of the cluster structures. We have developed a new method for synthesizing iron sulfide clusters in non-polar solvents using bulky thiolates, and unprecedented clusters with structural diversity have been isolated. Based on this new synthetic method, the inorganic N core of nitrogenase P -cluster was isolated for the first time, which had previously been thought impossible to construct N chemically. The unusual [8Fe-7S] inorganic core of P-cluster (P ) of nitrogenase was self-assembled from the reaction of Fe{N(SiMe3)2}2, tetramethylthiourea (tmtu), 2, 4, 6-tri -isopropylbenzenethiol (HS-tip), and S8, which gave rise to [{N(TMS)2}(tmtu)2Fe4S3]2 (6-S){-N(TMS)2}2(TMS = SiMe3) (1). We have also isolated a cluster modeling the oxidized form of N P-cluster (2), in which an Fe-S bond of the P -cluster core is cleaved. Interestingly, addition of tmtu to (2) facilitates formation of the Fe-S bond with the core (3) being reduced by one electron, resulting in the structure of the reduced form N of P-cluster (P ). We have examined chemical charateristics of the P-cluster core based on these model cluster compounds.

References 1. Y. Ohki, Y. Sunada, M. Honda, M. Katada, K. Tatsumi, J. Am. Chem. Soc., 125, 4052-4053 (2003). 2. Y. Ohki, Y. Ikagawa, K. Tatsumi, J. Am. Chem. Soc., 129, 10457-10465 (2007). 3. Y. Ohki, N. Tokitoh, M. Katada, K. Tatsumi, et al., J. Am. Chem. Soc., 131, 13168 (2009). 4. T. Matsumoto, K. Tatsumi, N. Suganuma, et al., Nature, 462, 514-518 (2009). 5. Y. Ohki, K. Tatsumi, et al., Proc. Nat. Acad. Sci. (USA), 107, 3994-3997 (2010). 6. Y. Ohki, K. Tatsumi, et al., Proc. Nat. Acad. Sci. (USA), 108, 12635-12640 (2011).

168


Life Chemistry

Probing Magnetic Properties of Metalloporphyrins by Neutron Scattering Seth C. Hunter,1 Andrey A. Podlesnyak,2 Zi-Ling Xue1 1

2

Department of Chemistry, University of Tennessee, Knoxville, Tennessee 37996, USA Neutron Scattering Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA Presenting author: [email protected]

Magnetic properties of paramagnetic metalloporphyrins have been studied by a variety of methods, including magnetic susceptibility measurements, nuclear magnetic resonance (NMR), electron paramagnetic resonance (EPR), Mssbauer, and 1-3 magnetic circular dichroism (MCD) spectroscopies. Zero-field splitting (ZFS) is a fundamental magnetic parameter for 4 those with at least two unpaired electrons (S > 1/2). ZFS appears as small energy differences among the lowest energy levels in the absence of an external magnetic field. The ZFS parameters D for metalloporphyrins have been mainly 5 determined by the aforementioned techniques. Inelastic neutron scattering (INS) has been used to probe the magnetic properties of metal complexes. In such a process, incident neutrons transfer energy to the molecules, leading to the magnetic excitations that are observed in an INS 5 spectrum. To our knowledge, INS has not been used to determine ZFS in metalloporphyrins. We have recently used INS to probe magnetic properties of meso-tetraphenylporphyrin metal complexes [Fe(TPP)Cl], [Mn(TPP)Cl] and [Mn(TPP)]. For example, ZFS and INS spectrum of [Fe(TPP)Cl] at 1.5 and 20 K are shown in Figures 1 and 2, −1 respectively. The ZFS parameter D for [Fe(TPP)Cl] by INS is 6.25(0.20) cm . Our studies will be presented.

References 1. A. Walker, Proton NMR and EPR Spectroscopy of Paramagnetic Metalloporphyrins in The Porphyrins, edited by D. Dolphin, 1978-1979, Academic Press, Vol. 5, Ch. 36. 2. W. R. Browett, A. F. Fucaloro, T. V. Morgan, P. J. Stephens, J. Am. Chem. Soc. 105, 1868 (1983). 3. D. A. Summerville, R. D.; Jones, B. M. Hoffman, F. Basolo, J. Am. Chem. Soc. 99, 8195 (1977). 4. R. Boa, Coord. Chem. Rev. 248, 757 (2004). 5. D. Gatteschi, J. Phys. Chem. B, 104, 9780 (2000).

169


Materials Science

Functionalized Graphene in Energy Storage Applications İlhan A. Aksay Department of Chemical and Biological Engineering Princeton University, Princeton, New Jersey 08544 USA Presenting author: [email protected] Pristine graphene has served an invaluable role in studies leading to fundamentals; yet, its utility in applications is often limited unless graphene is first functionalized to alter its structure and properties for a desired application. To do so, we 1,2 3 work with defective and functionalized graphene which is produced through thermal splitting of graphite oxide to graphene oxide and by simultaneous and/or follow-on reduction to functionalized graphene. The graphene oxide approach also provides a major advantage in the development of bulk materials such as ultracapacitors, electrodes for batteries, electrochemical sensors, and graphene-based composites in general as it is suitable for the production of graphene in 4 > tons/year quantities. I will summarize the production of functionalized graphene sheets (FGSs) (see Figure 1) by thermal exfoliation and the tuning of its properties by simultaneous thermal reduction processes. In spite of its rich history dating back to 1840, only recently it has been shown that this thermal exfoliation and reduction approach can indeed yield large 2,3 fractions (> 80%) of single sheets. The challenge of single sheet production, however, leads into another challenge in the control of aggregate structures as single sheets readily collapse back to form multistacks due to 5 van der Waals and capillary forces. Restacking is not only unavoidable but a certain degree of restacking in the 6-8 presence of energy storage materials is also beneficial. I will provide examples related to supercapacitors and batteries. I will also summarize the scientific and technological challenges that need to be resolved to enable the development of devices in general. References 1. H.C Schniepp, et al., J. Phys. Chem. B 110, 4396 (2006). 2. M.J. McAllister, et al., Chem. Materials 19, (2007). 3. S. Pan and I.A. Aksay, ACS Nano 5, 4073 (2010). 4. L. Yan, et al., Nano Lett. 11 3543 (2011). 5. A. Hsieh, et al., J. Phys. Chem. B. 117, 7950 (2013). 6. D.H. Wang, et al., ACS Nano 4, 1587 (2010). 7. M.A. Pope, et al., J. Phys. Chem. C 115, 20326 (2011). 8. M.A. Pope, et al., J. Electrochem. Soc. 160 (in press) (2013).

170

Figure 1: Schematic of an FGS showing functional groups decorating the edge of graphene sheet (such as anhydrides, carboxylic acid, and ethers), lattice defects (5-8-5 and 5-7-7-5 (Stone-Wales) defects, blue), oxygen decorated vacancies, (green), as well as epoxy and hydroxyl groups on both sides of the graphene plane. (From Ref. #4)


Materials Science

Field Assisted Self Assembly (FASA) of Flexible Films Using a Novel Continuous Roll to Roll Process Miko Cakmak, Baris Yalcin and Saurabh Batra Department of Polymer Engineering, University of Akron, 1,2

3,4

5,6

Electric , Magnetic and Thermal gradient fields are three important methods used in Field Assisted Self Assembly (FASA) of polymer blends, block copolymers, liquid crystals and polymer nanocomposites. These assisted 7 assembly techniques have been used in laboratory scale, but for potential applications such as flexible electronics , 8 9 10 11 membranes , supercapacitors , fuel cells , photovoltaic’s etc. a large scale manufacturing platform is needed. Here we introduce a novel roll to roll process developed in our laboratories to achieve "Z-direction" alignment of nanostructural units. A 70 ft line was designed which uses a casting system to deposit desired thickness of liquid such as a monomer and/or polymer solution up to 6" wide on a flexible substrate using a doctor blade system and flow coating system to deposit thin films. The substrate is then carried by pretensioned steel belt through an electric field application zone which consists of a parallel electrode sitting on top of the steel belt with the solution cast film passing below it. In this zone an electrical plate capable of potential difference of -15KV to +15KV. The electric field applied can be a DC, AC or a biased AC, hence using the various fields we can maximize the orientation by increasing the dielectric contrast between the particles and the matrix. If orientation and self assembly through magnetic field is desired, the second tool located downstream is activated. This electromagnet is capable of applying magnetic fields up to 2.2 T to the material supported by a flexible substrate through the opposing poles. This line also contains a movable UV lamp which can be used to freeze the structure of required morphology using photocurable resin and could also be used to etch one phase of a polymer blend or block copolymer after electric field or magnetic field application zones. The final tool that is built on this machine is the Thermal Alignment zone. It is designed to apply a "line of heat" oriented transverse to the line direction at 9 different zones. In each zone the material may be subjected to a temperature gradient in the machine direction through a successive heating and cooling units. The temperature gradients can be created using conduction or radiation. Electric and magnetic field alignment of particles and polymer chains is studied through real time birefringence measurement, to determine various parameters effecting the orientation of particles/phases inside a polymeric film under 12 the magnetic or electric field. The birefringence system is based on the solution drying process developed in our lab . References: (1) Park, C.; Robertson, R. E. Materials Science and Engineering: A 1998, 257, 295-311.(2) Kyrylyuk, A.; Zvelindovsky, A.; Sevink, G. Macromolecules 2002, 35, 1473-1476. (3) Osuji, C.; Ferreira, P. J.; Mao, G.; Ober, C. K.; Vander Sande, J. B.; Thomas, E. L. Macromolecules 2004, 37, 99039908. (4) Takahashi, T.; Murayama, T.; Higuchi, a; Awano, H.; Yonetake, K. Carbon 2006, 44, 1180-1188. (5) Mita, K.; Tanaka, H.; Saijo, K.; Takenaka, M.; Hashimoto, T. Macromolecules 2008, 41, 6787-6792. (6) Liu, C.-Y.; Bard, A. J. Chemistry of Materials 2000, 12, 2353-2362. (7) Wong, W. A. Salleo,Flexible Electronics: Materials and Applications ,2009. Springer (8) Oren, Y.; Freger, V.; Linder, C. Journal of Membrane Science 2004, 239, 17-26. (9) Park, B.; Im, K.-J.; Cho, K.; Kim, S. Organic Electronics 2008, 9, 878-882. (10) Gasa, J. V.; Weiss, R. a.; Shaw, M. T. Journal of Membrane Science 2008, 320, 215-223. (11) Sun, B.; Marx, E.; Greenham, N. C. Nano Letters 2003, 3, 961-963. (12) Unsal, E.; Drum, J.; Yucel, O.; Nugay, I. I.; Yalcin, B.; Cakmak, M. The Review of scientific instruments 2012, 83, 025114.

171


Materials Science

Nanostructured Materials by Covlaent Self-Assembly Kimoon Kim Center for Self-assembly and Complexity, Institute for Basic Science, and Department of Chemistry, Pohang University of Science and Technology, San 31 Hyojadong, Pohang, 790-784, Republic of Korea. Email: [email protected]

We recently reported a novel approach to the synthesis of polymer nanocapsules using a rigid, disk-shaped monomer with 1 multiple polymerizable groups at the periphery. Without needs for any pre-organized structures or templates, and coreremoval, this method directly produces polymer nanocapsules with a highly stable structure and relatively narrow size 1c distribution. This is a rare example of covalent self-assembly through irreversible covalent bond formation. The polymer 2 shell made of cucurbituril, a hollowed-out pumpkin-shaped host molecule, allows tailoring of its surface properties by host-guest interactions. The easy synthesis and unique ability to tailor surface properties in a noncovalent manner make 1b the polymer capsule potentially useful in many applications including targeted drug delivery. This approach has been extended to include a wide range of cores, linkers and polymerization methods to synthesize new nanocapsules with 1c,d interesting physical and chemical properties, and application perspectives. This strategy can also be extended to 3 synthesize other nanostructured materials including two-dimensional polymers with single monomer thickness, and 4 hollow nanotubular toroidal polymer microrings. Our recent work in this area will be presented.

[1] (a) D. Kim et al. Angew. Chem. Int. Ed. 2007, 46, 3471, (b) E. Kim et al. Angew. Chem. Int. Ed. 2010, 49, 4405, (c) D. Kim et al. J. Am. Chem. Soc. 2010, 132, 9908, (D) R. Hota et al, Chem. Sci. 2013, 4, 339.

[2] Reviews: (a) J. W. Lee et al. Acc. Chem. Res. 2003, 36, 621, (b) K. Kim et al. Chem. Soc. Rev. 2007, 36, 267. [3] K. Baek et al, J. Am. Chem. Soc. 2013, 135, 6523. [4] J. Lee et al, submitted for publication.

172


Materials Science

Interfacial Synthesis of Redox-active Metal Complex Nanowires and Nanosheets H. Nishihara Department of Chemistry, School of Science, The University of Tokyo, Tokyo 113-0033, Japan, Phone: 81-3-5841-4346 Presenting author: [email protected] One of the final goals of the research on molecular electronics is to control electron conduction in molecular wires and networks at will by combining appropriate molecular units. For this purpose, synthesis of redox-active and/or electronically conducting metal complex nanowires and nanosheets is an interesting research target. We here present interfacial coordination reactions to synthesize such electro-functional nanowires and nanosheets. We have developed a facile bottom-up method to fabricate molecular wires of bis(terpyridine)metal (M(tpy)2, M = Fe, Co) oligomers with the desired number of metal complex units combined with conjugated linkers and with a designed hetero-metal sequence on the gold surface based on the Au-S SAM formation [1] or on hydrogen-terminated silicon surface based on the Si-C SAM formation [2]. To evaluate the total performance of the molecular wires, the electron conduction properties of internal molecular segments as well as the resistivity at the electrode-molecular wire junction and the terminal hetero-redox molecular connection were analyzed [3]. Monolayer nanosheet materials have attracted significant attention because of their unique physical and chemical properties, which derive from their two-dimensional (2D) nature. We synthesized π-conjugated nanosheet comprising nickel bis(dithiolene) units [4]. A liquid−liquid interfacial reaction using benzenehexathiol in the organic phase and nickel(II) acetate in the aqueous phase produced a semiconducting bulk material with a thickness of several micrometers. A single-layer nanosheet was successfully realized using a gas−liquid interfacial reaction. Modulation of the oxidation state and the electronic conductivity of the nanosheet was possible using redox reactions. References 1. (a) K. Kanaizuka, M. Murata, Y. Nishimori, I. Mori, K. Nishio, H. Masuda, H. Nishihara, Chem. Lett., 34, 534 (2005). (b) H. Nishihara, K. Kanaizuka, Y. Nishimori, Y. Yamanoi, Coord. Chem. Rev., 251, 2674 (2007). 2. (a) H. Maeda, R. Sakamoto, Y. Nishimori, J. Sendo, F. Toshimitsu, Y. Yamanoi, H. Nishihara, Chem. Commun. 2011, 47, 8644. (b) Y. Yamanoi, J. Sendo, T. Kobayashi, H. Maeda, Y. Yabusaki, M. Miyachi, R. Sakamoto, H. Nishihara, J. Am. Chem. Soc., 134, 20433 (2012). 3. (a) Y. Nishimori, K. Kanaizuka, M. Murata, H. Nishihara, Chem. Asian J., 2, 367 (2007). (b) Y. Nishimori, K. Kanaizuka, T. Kurita, T. Nagatsu, Y. Segawa, F. Toshimitsu, S. Muratsugu, M. Utsuno, S. Kume, M. Murata, H. Nishihara, Chem. Asian J., 4, 1361 (2009). (c) T. Kurita, Y. Nishimori, F. Toishimitsu, S. Muratsugu, S. Kume, H. Nishihara, J. Am. Chem. Soc., 132, 4524 (2010). (d) R. Sakamoto, S. Katagiri, H. Maeda, H. Nishihara, Coord. Chem. Rev., 257, 1493 (2013). (e) S. Katagiri, R. Sakamoto, H. Maeda, Y. Nishimori, T. Kurita, H. Nishihara, Chem. Eur. J., in press. (f) R, Sakamoto, S. Katagiri, H. Maeda, H. Nishihara, Chem. Lett., in press. 4. T. Kambe, R. Sakamoto, K. Hoshiko, K. Takada, M. Miyachi.J.-H. Ryu, S. Sasaki,J. Kim, K. Nakazato, M.Takata, H. Nishihara, J. Am. Chem. Soc., 135, 2462 (2013).

173


Materials Science

Ice release coatings: a new laboratory test / standardization and coatings development guided by a nanosurface and mesosurface model Kenneth J. Wynne, Chenyu Wang, Souvik Chakrabarty and Wei Zhang Chemical and Life Science Engineering Virginia Commonwealth University 601 West Main Street Richmond, VA 23284 E-mail: [email protected] Ph: 804-828-9303 Minimizing ice adhesion has been the subject of extensive studies for applications such aircraft wings and power transmission wires, while a growing interest concerns coatings for wind turbine blades. One of the stumbling blocks to coatings development has been the absence of a straightforward laboratory based test for easily measuring the removal force for ice release. This presentation will describe an ice release test using a commercially available instrument that is often available in a polymer science laboratory (TA RSA II). Peak removal force is obtained as well as other parameters not previously reported but important to understanding the coating-ice interface. As a step toward standardization, ice release tests on a commercially available silicone coating will be described. Results provide unexpected insight into key variables influencing the removal force and removal energy for ice release. Guided by a broadened theory, the development of polyoxetane based coatings with tailored nanosurfaces and mesosurfaces will be presented. 1

The authors thank the National Science Foundation (DMR-0802452 and DMR-1206259) for generous support of this research.

174


Chemistry Education

Developments and Trends in Turkish Chemistry Curriculum for Lycees Alipaşa Ayas Bilkent University, Faculty of Education, Ankara, Turkey Email: [email protected] Change is a word indicate positive or negative move from the existing state. Curriculum change is statement to indicate this idea in schooling system for any of the courses taught. Chemistry is one of the underlying subject in lycees especially in the science branch of secondary schooling in Turkey. The curriculum change for lycees has been in the agenda several times during the republican times. These changes have been affected by the developments around the world, especially from the developed western countries. In this sense, post 50s curricula in science (CHEM Study in the field of chemistry) should be mentioned as the most effective and demanding one. To make the changes effective in curriculum ‘a transfer of curriculum by translating its material is not effective’ there should be other considerations in the process of transfering curriculum. This paper puts some flesh on the discussion on how these changes affected chemistry education in Turkey from an analytical perspective. Also, there will be an assessment on how the most recent change was progressed over the past year.

175


Chemistry Education

To see is to believe or to believe is to see A journey from conceptual conflict to conceptual change in science learning Mei-Hung Chiu National Taiwan Normal University, Taipei, Taiwan [email protected] Science education researchers search for different pedagogical and epistemological approaches to promote student understanding of science with the aims of eliciting scientist-like critical and creative thinking, and enhancing competence in developing inquiry and problem solving skills. One promising approach uses anomalous data to elicit learners' awareness of relations between their conceptions and scientific theories and phenomena, to facilitate their understanding of scientific phenomena, to incur conceptual change, and to arouse their motivation in learning science. The purpose of this study is to investigate whether facial microexpression state (FMES) changes could be used as a rapid diagnostic method for identifying moments of anomaly-induced conceptual conflicts that could in turn contribute to conceptual change. In this presentation, I will introduce an innovative technique of facial recognition to diagnose students’ responses to anomalous experiment (reboiling water under the low temperature condition) and to present some reflections on the research and its use of the facial microexpression technology. The taxonomy for designing the learning materials was based upon the Prediction – Observation - Explanation (POE) concept (White & Gunstone, 1992) with the addition of two important elements, visualization (V) and comparison (C), to enhance and scaffold students’ understanding of scientific phenomena (Chiu, Chou, Wu, & Liaw, 2013). The results revealed that the rate of no conceptual change is higher among those without facial expression change. In other words, if no conceptual change occurred, it was less likely that facial microexpression state change took place. Also, our findings imply that learners will not pay attention to an anomalous phenomenon when they lack the background knowledge to reliably judge the phenomenon and then detect any inconsistency. That is, conceptual conflict does not guarantee conceptual change as conceptual change remains a conditional phenomenon. Educational implications will be discussed.

176


Chemistry Education

Are Chemical Education and Philosophy of Chemistry Miscible? The Case for Infusing Epistemic Practices of Chemistry in Chemical Education Sibel Erduran University of Bristol, Bristol UK & Boğaziçi University, Istanbul, Turkey Email: [email protected] Chemistry has maintained quite a peripheral existence in the philosophy of science thus evading focused attention and critical analysis. However since the 1990s an increasing number of books, journals, conferences, and associations focused on philosophy of chemistry highlighting the contributions of chemistry to philosophy of science. The uptake of this new domain in the context of chemical education research and practice has been minimal despite some earlier acknowledgment of the potential significance of this field for chemical education. The talk will begin with an overview of some of the key and example debates in philosophy of chemistry. These examples will include themes such as reductionism and supervenience as well as aspects of chemical knowledge such as laws, models and explanations. The implications for chemical education research and practice will be explored. The central argument is that the effective learning of chemistry demands understanding of how chemistry is structured, how chemical knowledge growth occurs, and how chemical principles are generated and revised. Thus chemical education research and practice has to be informed by the debates about the epistemology and ontology of chemistry. The discussion will be contextualized in the area of Nature of Science (NOS) that has been one of the highly studied areas of research in science education. Some applications of philosophy of chemistry in chemical education will be reviewed. The talk will conclude with some recommendations on the future directions for chemical education research and practice that are informed by epistemic practices of chemistry.

177


Chemistry Education

Chemistry Education Through the Arts Drawing, Dance, Drama and Computer Animation Zafra Lerman PhD, FRSC, Lerman Institute for the Advancement of Science, 1911 Grant Street, Evanston, IL 60201 [email protected] Chemistry will play an essential role in solving the challenges facing our planet. Sadly enough, many students shy away from chemistry. Alternative teaching and learning methods are key to attracting students to chemistry so they can solve the problems of the future. Methods which utilize the students’ creativity, talents, interests and cultural backgrounds were developed to teach and learn chemistry at all levels, from elementary school to university, and from the formal to the informal setting. The centerpiece for this method is the development of student projects, which help them remember and understand abstract scientific concepts. An old Chinese proverb says: “I hear and I forget; I see and I remember; I do and I understand.” These students’ projects take advantage of seeing and remembering, doing and understanding. Through this process, students are active learners, instead of being just passive observers. To demonstrate their understanding of scientific concepts through their projects, the students use the media of their choice, from drawing, dance and drama (no tech) to computer animation (high tech). Projects can also take the form of paintings, sculptures, songs, films, and scripts for theater. These projects are used as alternative assessment methods where the whole class is involved in the assessment process. Examples will be shown in the lecture.

178


Chemistry Education

Sailing the Chemistry Education Boat on the Bosphorus Between Science and Sustainability Peter G. Mahaffy Chemistry Department and The King’s Centre for Visualization in Science, The King’s University College, Edmonton, AB, Canada, T6B2H3 [email protected] The Bosphorus or Istanbul Strait makes it possible to navigate between the Black Sea and the Sea of Marmara and provides a magnificent backdrop to explore the 44th IUPAC World Chemistry Congress conference theme of energy and sustainability. From our position on the Congress program in the sailboat of chemistry education, we also have a strategic opportunity to reflect on how we can navigate another strait – the one that connects the waters of science and sustainability. Together we will explore questions such as: • Do the students taking our chemistry courses experience the relevance of that core scientific content to sustainability - the fit between humans and our habitat? • What are ‘rich contexts’ and do we sacrifice chemistry content if we teach from rich contexts? • What are some concrete strategies we can use to show the relevance of the tools of chemistry in addressing the challenges of our planetary boundaries, while still teaching the chemistry we need to ‘cover’? • How can sailing the strait between science and sustainability help to make the student experience of chemistry more engaging and motivating? We will illustrate with examples of strategies and tools dealing with climate science, energy to power our planet, and rare materials, developed by the team of undergraduates and faculty at the King’s Centre for Visualization in Science, in collaboration with partners. Let’s talk together about how we can navigate our chemistry teaching and learning sailboat onto the Bosphorus between science and sustainability!

179


Chemistry Education

How to transfer authentic science to education and the public? I. Parchmann, S. Schwarzer, L. Kampschulte & F. Tirre1 1

IPN Kiel, Chemistry Education, Olshausenstraße 62, 24118 Kiel, Germany Presenting author: [email protected]

What is going on in research nowadays; is this important for my life, and for our societies? The importance of science communication to a broader public and to education is widely accepted and part of many research programs today. The interesting challenge is to design learning environments that link authentic science outcomes and processes with interests, knowledge and opinions of a potential audience. To fulfill this goal, we have successfully applied the Model of Educational Reconstruction [1] not only for school learning, but also for the design of out-of-school learning environments and public presentations. The lecture will focus on the educational reconstruction of a program for school students, linking classroom learning with virtual visits to university laboratories and an additional study program in a student laboratory; and on the design of an exhibition for a shopping area. Both programs are linked to the DFG-Collaborative Research Centre “Function by switching” at the University of Kiel. The resulting content areas we explore with the students and the public are the concept of nano [2], modern research methods and chemical switches. One central goal for both programs is the design of authenticity in two ways: insight into authentic science and connections to authentic questions and products in our societies. Different media have been developed and implemented in the program as well as the exhibit, e.g. hands-on experiments in combination with computer-based simulations, podcasts, or a smartphone application. The “AEIOU” criteria by Burns et al. [4] are used as an orientation for the design and the combination of the different media. In addition, interviews with researchers, teachers and students have been carried out and are analyzed to back up the design of the learning environments. First experiences from the student lab and parts of the exhibition, which will be tested at the Kiel festival in June, will be explored in this presentation as well as the process and products of the educational reconstruction. Both can be applied by other science communication programs as research outreach to education and the public. References [1] Duit, R., Gropengießer, H., Kattmann, U., Komorek, M. & Parchmann, I.: The Model of Educational Reconstruction - A Framework for Improving Teaching and Learning Science. D. Jorde & J. Dillon (ed.). Science Education Research and Practice in Europe (13-37). Rotterdam: Sense Publishers. 2012. [2] Jones , G., Blonder, R., Gardner, G., Albe, V., Falvo, M. & Chevrier, J. (2013). Nanotechnology and Nanoscale Science: Educational challenges. International Journal of Science Education. DOI:10.1080/09500693.2013.771828 [3] Braund, M. & Reiss, M. (2006). Towards a More Authentic Science Curriculum: The contribution of out-of-school learning. International Journal of Science Education, 28 (12), 1373–1388. [4] Burns, T., O’Connor, D. & Stocklmayer, S. (2003). Science communication: a contemporary definition. Public Understanding of Science (12), 183–202.

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Chemistry Education

Student Understanding of Concepts Related to The First and Second Law of Thermodynamics Marcy H. Towns Purdue University, 47906, West Lafayette, IN, USA, Presenting author: [email protected] The research literature has documented difficulties in student understanding of concepts such as heat, work, and energy related to the first law [1-9]. In many cases student have been able to demonstrate mathematical (problem-solving) proficiency with rather less conceptual understanding of the task [1-9]. The literature also points towards student difficulties in understanding the second law of thermodynamics and associated concepts such as entropy, spontaneity, and equilibrium [1, 10-12]. In this study 51 students were asked to explain their understanding related to the first law and/or second law of thermodynamics on four tasks. The responses were coded based upon student reasoning and compared with the findings in the research literature where prior studies existed. Although the students in this study are from different types of courses and different nations than some of the prior research, a lack of clarity about fundamental concepts exists across the literature. For example, students conflate information about Gibbs energy and kinetics. Students also do not exhibit sophisticated understandings of entropy. Finally, students exhibit confusion and a fragmented knowledge structure when asked if the energy of a system changes during a chemical reaction without being given numerical data. Student difficulties in reasoning, fragmented knowledge, and misconceptions will be presented. References 1. Thomas, P. L. and Schwenz, R. W., J. Res. Sci. Tchg. 35, 1151-1160 (1998). 2. Sozbilir, M. J. Chem. Educ., 81, 573-578. (2004). 3. Canpolat, N., Pinarbasi, T., and Sozbilir, M., J. Chem. Ed., 83, 1237-1242, (2006). 4. Hadfield, L. C., and Wieman, C. E., J. Chem. Educ., 87, 750-755, (2010). 5. Rozier, S. and Viennot, L., Int. J. Sci. Educ.,13, 159-170, (1991). 6. Loverude, M. E., Heron, R. R. L., and Kaurz, C. H., Am. J. Phys., 70, 137-140, (2002). 7. Meltzer, D. E., Am. J. Phys., 72, 1432-1446, (2004). 8. Greenbowe, T. J., and Meltzer, D. E Int. J. Sci. Educ., 25, 779-800, (2003). 9. Jasien, P. G. and Oberem, G. E., J. Chem. Educ., 21, 1251-1267, (1999). 10. Sozbilir, M. U. Chem. Educ., 6, 73-83, (2002). 11. Sözbilir, M., Pınarbaşı, T., & Canpolat, N., Eur. J. Math., Sci. Tech. Educ., 6(2), 111-122 (2010). 12. Sozbilir, M., and Bennett, J. M., Chem. Educator, 11, 355-363, (2006).

181


Chemical Industry and Innovation

New Product Development: Creating Value With Market Oriented Innovation Deniz Korkmaz, PhD Kordsa Global, R&D Center, Kocaeli, Turkey Presenting author: [email protected] A world leader in nylon and polyester yarn, cord fabric and single end cord production, Kordsa Global serves the tire reinforcement and mechanical rubber markets over 40 years. This talk will focus on how a global company’s R&D Center contributes in moving beyond incremental technological improvements towards new and innovative products. Cases of innovation successes and failures of industry will be covered followed by tools and techniques used by the company for effective management of this process, identifying and developing competencies to address current and future market needs. As innovation alone is not enough to drive success, the importance of having a clear vision and alignment with corporate strategy will be described. Following this discussion, a structured overview of some current innovative products of Kordsa Global; Capmax™, Monolyx® and Twixtra® will be presented.

182



The Story Behind the Brand Banu ÖZKESER R&D Team Leader Temsa Global R&D Center Adana / Turkey

It’s no doubt that becoming a sustainable brand brings the superiority of the firms in the markets, too. In today, rapidly changed demands and developed technology day by day make the firms which present demands as product standart be advantageous. These firms, parallel to the technology, being in harmony line of change is inevitable. Eventually, rapidly demand for the presented product/service provides the brand a positive image and also make the reliability increase. The brand’s prestige is linked with the vision of the company directly. The vision of producing and marketing ideas instead of producing and selling goods writes the story of the brand and forms the future of it. The innovation bank, formed with the different perspectives, is an important factor that changes disrupted memorization ideas to the products. Innovation bank has to be handled in not only product/service but also all processes of the firm such as organization, marketing etc. Basic philosophy of innovation includes the basis that harmony of every kilometer of the way going to the markets from the idea. Innovation, which is the product/service presentation with the response capabilty of basic needs with the possible needs, is a learning dynamic structure to grow and develop of the trade.

Key Words: innovation bank, learning dynamic structure, story of the trade, sustainable trade

183



New normals in INNOVATION Mustafa Yılmaz, Akkök Holding Member of the Board of Directors New normals are prevailing in racing in INNOVATION for competitiveness in this decade . Countries are shaping their National Innovation Systems to support their industries-companies from innovation to commercialization. Corporates/Companies are transforming their policies-strategies-approaches to adapt to new normals. • •

184

Old/classic normals for competitiveness : Restructure-lower cost-raise quality using closed R&D structure design driven stage-gate tools New normals for innovation: Applying new approaches with total innovation in mind technology driven OPEN innovation to accelerate the (prosess-product-business).



Materials Science

Mainchain-Type Organoboron Polymers: Synthesis and Photoluminescence Properties Yoshiki Chujo Department of Polymer Chemistry, Kyoto University, Katsura, Kyoto 615-8510, Japan [email protected] We have reported a wide variety of organoboron polymers including boron atoms in the main chain prepared mainly by hydroboration polymerization. These polymers exhibited various interesting properties due to the unique characteristics of boron atoms; strong fluorescence emission, n-type electronic conductivity, third-order nonlinear optical properties, and so on. Here, our recent works on the element-block materials based on organoboron-containing polymers are described. The electronic interaction and correlation involving organoboron complexes are responsible for their unique optical and electric properties of polymers. For complehending of the origins of these properties and applying for the next generation of new materials, researchers have gathered not only the fundamental knowledge on the electronic states and behaviors of each organoboron complex in the polymers but also on the functions of the polymers in the devices. The present paper reports the synthesis and properties of the conjugated polymers containing organoboron moieties in their main chain. These polymers were prepared mainly by the Sonogashira-Hagihara coupling. As examples of photoluminescent organoboron conjugated polymers having tetracoordinated boron complexes, poly(cyclodiborazane)s, poly(pyrazabole)s, boron quinolate polymers, organoboron diketonate polymers, BODIPY (boron dipyrromethene) conjugated polymers and carboranebased polymers are described. In these polymers, very interesting and peculiar optical properties were observed. Such examples are extremely high photo-emissions, fine tuning of emission colors, phosphorescence properties, near-UV fluorescence emission, near-IR photoluminescence, and aggregation-induced emission behaviors. These performances would be the topics of the present paper and should be very important in the fields of electrical, optical, and magnetical applications. References Recent publications from our group about organoboron conjugated polymers: (1) Macromolecules, 2013, 46, 2969. (2) Macromolecules, 2013, 46, 2599. (3) Bioorg. Med. Chem., 2013, 21, 2715. (4) J. Am. Chem. Soc., 2013, 135, 4211. (5) Chem. Eur. J., 2013, 19, 4506. (6) J. Polym. Sci., Polym. Chem., 2013, 51, 1726. (7) Macromol. Rapid Commun., 2012, 33, 1235. (8) Chem. Eur. J.., 2012, 18, 11251. (9) J. Polym. Sci., Polym. Chem.., 2012, 50, 4433. (10) Macromol. Rapid Commun., 2012, 33, 550. (11) Bull. Chem. Soc. Jpn.., 2011, 84, 471. (12) J. Org. Chem., 2011, 76, 316. (13) Tetrahedron Lett., 2011, 52, 293. (14) Polym. J., 2011, 43, 352. (15) Dalton Trans., 2011, 40, 1919. (16) Chapter 7 in Conjugated Polymer Synthesis (Ed by Y. Chujo), 2010, 195. (17) J. Mater. Chem., 2010, 20, 10688. (18) Langmuir, 2010, 26, 15644. (19) J. Polym. Sci., Polym. Chem., 2010, 48, 5348. (20) J. Polym. Sci., Polym. Chem., 2010, 48, 3693. (21) Macromolecules, 2010, 43, 6463. (22) Tetrahedron Lett., 2010, 51, 3451. (23) Macromolecules, 2010, 43, 6229. (24) J. Mater. Chem., 2010, 20, 5196. (25) J. Mater. Chem., 2010, 20, 2985. (26) Polym. J., 2010, 42, 363. (27) Chem. Lett., 2010, 39, 430. (28) Macromolecules, 2010, 43, 193. (29) Polym. J., 2010, 42, 37. (30) Appl. Organometal. Chem., 2010, 24, 563. (31) Macromolecules, 2009, 42, 9238. (32) Macromolecules, 2009, 42, 7217. (33) Macromolecules, 2009, 42, 5446. (34) Macromolecules, 2009, 42, 2988. (35) Macromolecules, 2009, 42, 2925. (36) Pure & Appl. Chem., 2009, 81, 433. (37) J. Organometal. Chem., 2009, 694, 1723. (38) Macromolecules, 2009, 42, 1560. (39) Macromolecules, 2009, 42, 1418. (40) Macromolecules, 2008, 41, 8295. (41) J. Am. Chem. Soc., 2008, 130, 5276. (42) J. Org. Chem., 2008, 73, 8605. (43) Macromolecules, 2008, 41, 3488. (44) Macromolecules, 2008, 41, 2809. (45) Macromolecules, 2008, 41, 737. (46) Polym. J., 2008, 40, 77.

186


Materials Science

The Synthesis of Precision Polyolefins Containing a Variety of Pendant Acid Groups K.B. Wagener, Taylor Gaines The George & Josephine Butler Polymer Research Laboratory Department of Chemistry, University of Florida 32611 USA [email protected] Precision Polyolefins. These are polymers made using ADMET chemistry to regulate, without equivocation, branch identity and the exact location of the branch along the polymer backbone. Reviews have been published recently 1,2 describing this approach to structure delineation. We will present the chemistry to produce a series of precision, acid containing polyolefins, including the first precision sulfonic acid containing polyolefins. This precision sulfonic acid polymer has been particularly challenging to create. We have done so using a technique we call “Reverse Solubilization Deprotection,” illustrated in Scheme 1. The thinking runs counter to all deprotection schemes, which normally are done in solution. In this case, the ester protected sulfonic acid polymer literally floats heterogeneously on the surface of wet DMSO. Adding a few pellets of NaOH leads to hydrolysis deprotection, followed by “pulling” the entire polymer into solution as deprotection (hydrolysis) occurs. Deprotection is complete. Scheme 1 Reverse Solubilization Deprotection 1

E. B. Berda, K. B. Wagener, “Advances in Acyclic Diene Metathesis Polymerization”, Chapter 5 in Polymer Science: A Comprehensive Reference. Vol 5. 2012, P 195.

2 E. B. Berda, K. B. Wagener, “Recent Advances in ADMET Polycondensation Chemistry”, in Synthesis of Polymers: New Structures and Methods; D. Schülter, C. Hawker, and J. Sakamoto, Ed.; Wiley-VCH Weiheim, Germany, 2012, p. 587.

187


Materials Science

Micro And Nano Intelligent Systems For Drug Delivery N. Hasirci1,2,3,4 3

METU, Middle East Technical University, 1Chemistry, 2Polymer Science and Technology, Biotechnology Departments, 4BIOMATEN-Center of Excellence in Biomaterials and Tissue Engineering, Ankara, 06800 Turkey Presenting author: [email protected]

The therapeutic effect of a medicine is extremely dependent on its concentration in the blood and its activity in the action site. In traditional administrations via oral or parenteral roots, bioactive agent is distributed in whole body. In order to keep an effective blood plasma level of the drug, usually higher concentrations are applied to compensate the eliminated amounts by kidney and liver. But, these higher concentrations lead to unwanted side effects especially in case of cytotoxic agents such as chemotherapy drugs. There are various studies to find a way to circumvent this problem and achieve better therapeutic effects. Targeting of the drug to a specified tumor area with controlled manner is a promising technique. Targeted drug delivery is also named as ‘smart delivery’. Since the drug is located at a specified region, its activity will be higher as well as the frequency of the needed dosages will be less. Polymers are the most preferable materials to prepare micron or nano size carrier production. There are various polymer based carriers which were developed to deliver agents such as peptides as large molecules, chemotherapeutic agents as small molecules, or genes as biological agents. Physical forms of the carriers can be as microparticles, nanoparticles, polymeric micelles, liposomes, drug polymer-conjugates, and protein-polymer conjugates, etc. Carriers prevent the drug from degradation and enhance its bioavailability. Submicron particles demonstrate numerous benefits in compare to micron size particles since they can diffuse into the cells much easily. Since the vessels are not properly formed and organized due to the rapid growth of the tumors, porous-wall vessels form with pore sizes of 200 nm to 2 μm. Particles about 400 nm can easily pass through the cell membrane and remain in the tumor site for a long time enhancing the healing process. Addition of certain functionality such as temperature or pH sensitivity makes the particles more acceptable by cancer cells in passive targeting. On the other hand, conjugation of an antibody or a protein specific to the tumor cells, provide active targeting since these particles will concentrate on the desired cell region and demonstrate high bioactivity. This presentation will give a summary about micro and nano size polymeric systems prepared for the delivery of certain growth factors, drugs or proteins into the desired area in medical applications.

188


Chemical Synthesis

Microbial Arene Oxidation: Total Synthesis, Carbohydrate Chemistry And Organoiron Complexes Simon E. Lewis1 1

Department of Chemistry, University of Bath, BA2 7AY Bath, U.K. Presenting author: [email protected]

The microbial dearomatising dihydroxylation of arenes has been known for over 40 years and the use of the cyclohexadiene [1,2] cis-diols produced in this fashion in further synthetic transformations is an established field. The densely packed, differentiated functionality of these chirons is a useful feature for applications in diverse areas, such as the synthesis of natural products, pharmaceuticals, carbohydrates, polymers and dyes. enzymes can oxidise substituted arenes in a predictable regio- and stereoselective manner, with the sense of enantioinduction being conserved across organisms and [3] substrates (Scheme 1; ortho,meta oxygenation). In contrast, organisms that express benzoate dioxygenase (BZDO) can oxidise benzoic acids in a process that exhibits not only different regioselectivity but also the opposite absolute sense of enantioinduction (Scheme 1; ipso,ortho oxygenation).

3

HO

2

1 R

OH 2,3-dihydrodiols Common

3

2

1 R

1

R OH OH

2

1,2-dihydrodiols Rare

Figure 1: Different modes of dihydroxylation

Figure 2: A useful chiron from benzoic acid

We have exploited the oxidation of benzoic acid by R. eutropha B9 to produce a building block that we have employed in [4] [5,6] and as a ligand the synthesis of natural products such as (+)-grandifloracin, in the synthesis of novel aminocarbasugars [7,8] for tricarbonyliron(0)diene complex formation (Figure 3). These chemistries will be discussed. References 1. T. Hudlický, Pure Appl. Chem. 82, 1785 (2010). 2. T. Hudlický, D. Gonzales and D. T. Gibson, Aldrichimica Acta 32, 35 (1999). 3. D. R. Boyd, N. D. Sharma, M. V. Hand, M. R. Groocock, N. A. Kerley, H. Dalton, J. Chima and G. N. Sheldrake, J. Chem. Soc. Chem. Commun. 974 (1993). 4. M. J. Palframan, G. Kociok-Köhn and S. E. Lewis, Org. Lett 13, 3150 (2011). 5. S. Pilgrim, G. Kociok-Köhn, M. D. Lloyd and S. E. Lewis, Chem. Commun. 47, 4799 (2011). 6. J. A. Griffen, J. C. White, G. Kociok-Köhn, M. D. Lloyd, A. Wells, T. C. Arnot and S. E. Lewis, Tetrahedron 69, 5989 (2013). 7. M. Ali Khan, M. F. Mahon, J. P. Lowe, A. J. W. Stewart and S. E. Lewis, Chem. Eur. J. 18, 13480 (2012). 8. M. Ali Khan, J. P. Lowe, A. L. Johnson, A. J. W. Stewart and S. E. Lewis, Chem. Commun. 47, 215 (2011).

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Allotropes of Carbon via Polymer Precursors, Fluorination, and Hybrid Composites for Energy Harvesting Scott T. Iacono1, Daniel Dei2, Sriram Yagneswaran2, Benjamin Lund2, Wenjin Deng2, Alyssa Lowe2, Kung Jung2, Muge Alik3, Yves Chabal3, John Ferraris2, Kenneth Balkus2, and Dennis W. Smith, Jr.2,3* 1

Department of Chemistry and Chemistry Research Center, United States Air Force Academy, CO 80840, USA

2

Department of Chemistry and the Alan G. Macdiarmid NanoTech Institute, The University of Texas at Dallas, Richardson, TX 75080, USA 3

Department of Materials Science and Engineering, The University of Texas at Dallas, Richardson, TX 75080, USA *Corresponding author email: [email protected] For many years our group has devoted significant time and effort to the study and development of new carbon based materials for high performance applications. Our initial studies focused on a class of processable pre-carbon materials from bis-o-diynylarene (BODA) monomers. These monomers undergo thermal Bergman cyclo-rearrangement and polymerization to form carbon networks in > 80 % yield with applications in electronics, composites, light emitting diodes, sensors, 1-3 dielectrics and conductors (Scheme 1). More recently we have begun to address the prohibitive cost of traditional 4 solution processable carbon fiber via the development of unique formulations for a melt processable carbon fiber. This 5,6 material is also being explored for applications in wound healing and as electro-spun mats for super capacitors. Additionally, we have explored nano carbon as a composite material within PVDF to enhance the piezoelectric effect of the 7 polymer through more efficient poling and dipole alignment within the material. Finally, work on the fluorination of graphene oxide for wide optical bandgaps has shown great promise and should prove invaluable to the development to the field of graphene and microelectronics.

Scheme 1. BODA polymerization and network formation. Zengin, H.; Zhou, W.; Zengin, G.; Foulger, S.H.; Ballato, J.; Smith, D.W., Jr. J. Polym. Eng. & Sci. 2007, 47(12), 2095-2099. Smith, Jr., D.W.; Shah, H.V.; Perpall, M.W.; Babb, D.A.; Martin, S.J. Adv. Funct. Mater. 2007, 17, 1237. Shah, H.; Brittain, S.; Huang, Q.; Hwu, S-J.; Whitesides, G.; Smith, D.W., Jr. Chem. Mater. 1999, 11(10), 2623. Deng, W.; Lobovsky, A.; Iacono, S. T.; Wu, T.; Tomar, N.; Budy, S. M.; Long, T.; Hoffman, W. P.; Smith, D. W., Jr. Polymer 2011, 52, 622. (5) Lowe, A.; Deng, W.; Smith, D. W.; Balkus, K. J. Macromolecules 2012, 45, 5894. (6) Jung, K.-H.; Deng, W.; Smith Jr, D. W.; Ferraris, J. P. Electrochem. Commun. 2012, 23, 149. (7) Baur, C.; DiMaio, J. R.; McAllister, E.; Hossini, R.; Wagener, E.; Ballato, J.; Priya, S.; Ballato, A.; Smith, D. W. J. Appl. Phys. 2012, 112, 124104.

(1) (2) (3) (4)

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Life Chemistry

Polymerase synthesis of base-modified nucleic acids for diagnostics and chemical biology M. Hocek1,2 1

Institute of Organic Chemistry and Biochemistry, Academy of Science Czech Republic, Flemingovo nám. 2, CZ-16610 Prague 6, Czech Republic 2 Department of Organic Chemistry, Faculty of Science, Charles University in Prague, Hlavova 8, CZ-12843 Prague 2, Czech Republic. Presenting author: E-mail: [email protected] An efficient two-step methodology of construction of functionalized nucleic acids was developed by a novel chemoenzymatic approach using aqueous-phase cross-coupling reactions of nucleoside triphosphates followed by incorporation by DNA polymerase. This approach was applied in the synthesis of functionalized oligonucleotide probes for electrochemical[1] or fluorescence[2] detection of DNA hybridization in diagnostics, DNA bioconjugations,[3] as well as for modulation of specific interactions of proteins with DNA.[4]

This work was supported by ASCR (RVO61388963), Grant Agency of the ASCR (IAA400040901), Czech Science Foundation (203/09/0317 and P206-12-G151) and Gilead Sciences, Inc. References 1. (a) Cahová, H.; Havran, L.; Brázdilová, P.; Pivoňková, H.; Pohl, R.; Fojta, M.; Hocek, M. Angew. Chem. Int. Ed. 2008, 47, 2059-2062. (b) Vrábel, M.; Horáková, P.; Pivoňková, H.; Kalachová, L.; Černocká, H.; Cahová, H.; Pohl, R.; Šebest, P.; Havran, L.; Hocek, M.; Fojta, M. Chem. Eur. J. 2009, 15, 1144-1154. (c) Balintová, J.; Pohl, R.; Horáková, P.; Vidláková, P.; Havran, L.; Fojta, M.; Hocek, M. Chem. Eur. J. 2011, 17, 14063-14073. 2. (a) Riedl, J.; Pohl, R.; Rulíšek, L.; Hocek, M. J. Org. Chem. 2012, 77, 1026-1044.. (b) Riedl, J.; Pohl, R.; Ernsting, N. P.; Orsag, P.; Fojta, M.; Hocek M. Chem. Sci. 2012, 3, 2797-2806. (c) Riedl, J.; Ménová, P.; Pohl, R.; Orság, P.; Fojta, M.; Hocek, M. J. Org. Chem. 2012, 77, 8287-8293. 3. (a) Raindlová, V.; Pohl, R.; Šanda, M.; Hocek, M. Angew. Chem. Int. Ed. 2010, 49, 1064-1066. (b) Raindlová, V.; Pohl, R.; Hocek, M. Chem. Eur. J. 2012, 18, 4080-4087. 4. (a) Kielkowski, P.; Macíčková-Cahová, H.; Pohl, R.; Hocek, M. Angew. Chem. Int. Ed. 2011, 50, 8727-8730. (b) Kielkowski, P.; Pohl, R.; Hocek, M. J. Org. Chem. 2011, 76, 3457-3462.

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ORAL PRESENTATIONS


192

12.08.2013 / ORAL PRESENTATIONS Clean Energy Through Chemistry / CETC-O-01


Multilayer Organized Tio2 Photoanode For Dye-Sensitized Solar Cell M. Zukalová1, L. Kavan1, A. Zukal1, J. Procházka1 and M. Graetzel2 1

J. Heyrovsky Institute of Physical Chemistry, v.v.i., Academy of Sciences of the Czech Republic, Dolejskova 3, CZ-18223 Prague 8, Czech Republic 2 Laboratory of Photonics and Interfaces, Institute of Chemical Sciences and Engineering, Swiss Federal Institute of Technology, CH-1015 Lausanne, Switzerland Presenting author: [email protected] Dye-sensitized solar cell (DSC, Graetzel cell), which has the advantages of low cost, simple preparation procedure, and relatively high energy conversion efficiencies, has become the research focus of the new energy field[1]. Among others the optimization of the Graetzel cells focuses on the morphological engineering of the TiO 2 photoanode aiming at preparation of transparent layers with well developed crystals and high surface area. To meet these obviously contradictory requirements, hierarchical multimodal TiO2 layers were designed and prepared. Combined TiO2 layers could provide rapid electron transportation, large surface area for adsorption of dye molecules, and close electrical contact with the redox electrolyte and has been considered as a favorable material for the photoanode application in DSC. Various combinations of multilayer mesoporous TiO2 films with large surface area, interconnecting fibrous nanocrystalline TiO 2 layers and nanoparticular anatase layers with well developed crystallinity sensitized with different dye sensitizers (N719, N945, C101) were tested as photoanodes in DSCs[2, 3]. The performance of particular devices will be discussed and correlated with the structure of their photoanodes. Performance of the DSC with 2.5 µm bimodal TiO2 photoanode reached 5.35%. The charge recombination taking place mainly at the FTO/TiO2 interface limits further the performance of DSCs. Due to the porous structure of TiO2 films the electrolyte easily penetrates to the FTO surface. The charge recombination due to this contact – causes non-negligible loss of efficiency in DSCs. To avoid the recapture of the photoinjected electrons with the I3 ions the coverage of FTO with a compact TiO2 blocking layer was found to be effective. Recently, the preparation of exceptionally dense TiO2 films by dip-coating from a sol containing poly(hexafluorobutyl methacrylate) has been developed[4]. This compact layer is presently tested as a blocking layer in the above mentioned hierarchical TiO 2 photoanodes and preliminary experiments have provided promising results. Acknowledgement: This work was supported by the Grant Agency of the Czech Republic (contract No. P108/12/0814) and by the FP7-Energy-2010-FET project Molesol (contract No. 256617) References 1 B. O'Regan, M. Grätzel, Nature 353 (1991) 737-740. 2 M. Zukalova, A. Zukal, L. Kavan, M.K. Nazeeruddin, P. Liska, M. Gratzel, Nano Letters 5 (2005) 1789-1792. 3 M. Zukalova, J. Prochazka, A. Zukal, J.H. Yum, L. Kavan, Inorganica Chimica Acta 361 (2008) 656-662. 4 J. Prochazka, L. Kavan, M. Zukalova, P. Janda, J. Jirkovsky, Z.V. Zivcova, A. Poruba, M. Bedu, M. Döbbelin, R. TenaZaera, Journal of Materials Research 28 (2012) 385-393. Keywords: dye-sensitized solar cell, titanium dioxide, hierarchical layers

193



Design Of Tio2 Nanocrystal Surface For High Performance Dye-Sensitized Solar Cells Q. Feng, P. Wen, M. Okada, S. Nakanishi, H. Itoh Department of Advanced Materials Science, Faculty of Engineering, Kagawa University, 761-0396, Takamatsu, JAPAN Presenting author: [email protected] The performance of dye-sensitized solar cells (DSCs) is strongly dependent on sensitizer-dye adsorption behavior on the TiO2 nanocrystal electrode. The facets exposed on TiO2 nanocrystal surface will strongly affect the dye adsorption behavior. In the present study, we describe synthesis of {010}-faceted (or {100}-faceted) and [11-1]-direction-faceted anatase TiO2 nanocrystals from layered titanate nanosheets by hydrothermal soft chemical process, sensitizer-dye adsorption behavior on the anatase TiO2 nanocrystals, the relationships between the dye adsorption parameters and the DSCs cell performance parameters, and application to the high performace DSCs. The {010}-faceted anatase nanocrystals with nanocube, nanoleaf-like, nanocomb-like, and nanorod-like morphologies were synthesized by hydrothermal treatment of lepidocrocite-like structural layered titanate nanosheet solution, and [11-1]-direction-faceted anatase TiO2 nanocrystals with nanocube and nanorod-like morphologies were synthesized by hydrothermal treatment of tetratitanate nanosheet solution. The TEM images of the typical TiO2 nanocrystals with specific crystal facet on the particle surface are shown in Figure 1. We investigated sensitizer-dye N719 adsorption on the various kinds of TiO2 nanocrystals. The dye adsorption isotherms fit to langmuir formula, and the dye adsorption density (Q) and adsorption constant (Kad) were evaluated from the langmuir formula. The DSCs were fabricated used these TiO2 nanocrystals samples, and their cell parameters, short-circuit photocurrent density (Jsc), open-circuit potential (Voc), fill factor (FF), and power conversion efficiency ( ) were evaluated from their I-V curves. We discovered a logarithmic relationship between Jsc and Kad, and a linear relationship between Voc and Q for DSCs as shown in Figure 2. The {010}-faceted nanocube anatase Figure 1: TEM images of (a, b) {010}-faceted nanocrystal shows highest Jsc value, and (c, d) [11-1]-direction-faceted anatase and this kind of anatase nanocrystal nanocrystals. (a) nanocube; (b) nanoleaf-like; is a promising high performance TiO2 (c) nanocube; (d) nanorod-like crystals. for DSCs. Keywords: TiO2 nanoparticle, dye-sensitized solar cells, crystal facet, synthesis, dye adsorption Figure 2: Relationships between (a) Jsc and Kad, and (b) Voc and Q for DSCs.

194



The Synthesis And Application Of Copper (I) Dyes In Dye- Sensitized Solar Cells K. A. Wills, S.E. Lewis, M. D. Jones and P. J. Cameron Centre for Sustainable Chemical Technologies, Department of Chemistry, University of Bath, Bath, BA2 7AY, UK Presenting author: [email protected] Ruthenium (II) polypyridyl complexes have been widely studied and shown great success as the photosensitizing component in dye-sensitized solar cells (DSSC) for the past two decades; however the metal is rare and expensive. As an alternative, copper (I) dyes with a 2,2’-bipyridine ligand framework are being investigated due to their similar photophysical and electrochemical properties. A copper (I) based DSSC could offer a viable alternative to using ruthenium (II) dyes, taking into account the cost and sustainability advantages. A number of promising experimental and computational studies have been reported in recent years, with the most efficient copper (I) dyes being developed by Constable and co-workers. The 1-3 group have obtained solar conversion efficiencies of ≈ 2% , commonly through employing 6,6’-disubstituted-2,2’bipyridine ligands. Given the success of this 2,2’-bipyridine ligand framework, efforts have been made to improve its properties and performance in a DSSC. It is known that increasing the conjugation in a ligand system improves light harvesting and can improve the overall cell performance. Electron rich heteroaromatic substituents such as thiophene rings can be used to improve the optical properties of the photosensitizers and systems using 2,2-biquinoline ligands rather than 2,2’-bipyridine have also been studied. The synthesis and application of a copper (I) 6,6’-dimethyl-4,4’-dicarboxybisthiophene-2,2’bipyridine dye will be presented in addition to work with substituted 2,2’-biquinoline systems.

Figure 1: 6,6’-dimethyl-4,4’-dicarboxybisthiophene-2,2’-bipyridine ligand and copper (I) complex References 1. E. C. Constable, A. H. Redondo, C. E. Housecroft, M. Neuburger and S. Schaffner, Dalton Trans., 33, (2009), 66346644. 2. B. Bozic-Weber, V. Chaurin, E. C. Constable, C. E. Housecroft, M. Meuwly, M. Neuburger, J. A. Rudd, E. Schoenhofer and L. Siegfried, Dalton Trans., 41, (2012), 14157-14169. 3. B. Bozic-Weber, E. C. Constable, C. E. Housecroft, P. Kopecky, M. Neuburger and J. A. Zampese, Dalton Trans., 40, (2011), 12584-12594 Keywords: Dye-Sensitized Solar Cells.

195



New D-A Conjugated Polymers Based On Fluorinated Accepting Units And Oligothiophenes For High Efficiency Polymer Solar Cells And Field-Effect Transistors Junwu Chen Institute of Polymer Optoelectronic Materials & Devices, State Key Laboratory of Luminescent Materials & Devices, South China University of Technology, Guangzhou 510640, China [email protected] Utilizations of fluorinated accepting units for the constructions of D-A conjugated polymers have shown big potential to elevate the energy conversion efficiency (PCE) of polymer solar cells as well as the carrier mobility of polymer field-effect transistors (FET) [1,2]. Moreover, the fluorination of an accepting unit would result in a deeper HOMO level of a conjugated polymer, which could contribute to its higher stability. We are interesting in the incorporations of 5,6-difluoro-benzothiadiazole (FBT) and 5,6-difluoro-benzotriazole (FBTA) as the accepting units and oligothiophenes as the donating units for new D-A conjugated polymers. We systematically investigated the numbers (from 1 to 5) of thiophene and the modification of solubility via suitable alkylations in the repeating units of the D-A coplymers, which would be the key factors in the determinations of their performances in solar cells and field-effect transistors. It was found that quaterthiophene (4T) was the best donating unit for the constructions of high performanced D-A copolymers, in combinations with the FTB and FBTA. FTBA-4T could show a PCE of 3.2% and a moderate FET hole mobility 2 2 2 of 110 cm /V s while FTB-4T could display a much higher PCE of 6.5% and an excellent hole mobility of 1.2 cm /V s. Obviously, FBT-4T is a promising semiconducting polymer for both solar cells and FETs. The FBT, a stronger accepting unit than the FBTA, has shown the advantage in the construction of high performanced D-A copolymers. Acknowledgements. This work was financially supported by National Natural Science Foundation of China (21225418 and 51173048) References 1. S. C. Price, A. C. Stuart, L. Yang, H. Zhou, W. You, J. Am. Chem. Soc. 133, 4625 (2011). 2. T. Lei, J. H. Dou, Z. J. Ma, C. H. Yao, C. J. Liu, J. Y. Wang, J. Pei, J. Am. Chem. Soc. 134, 20025 (2012). Keywords: polymeric donors; D-A polymers; solar cells; field-effect transistors

196



Interhalogen Redox System Rendering Stable Zno-Based Dye-Sensitized Solar Cells M.Quintana*†, T. Marinado†, M. Gorlov†, L.Kloo† and A. Hagfeldt†‡ *

Facultad de Ciencias, Universidad Nacional de Ingeniería, P.O. Box 31-139, Av. Tupac Amaru 210, Lima, Peru † Center of Molecular Devices, School of Chemical Science and Engineering, Royal Institute of Technology, 10044 Stockholm, Sweden. ‡ Department of Physical and Analytical Chemistry, Uppsala University, 75105 Uppsala, Sweden. Presenting author: [email protected]

Improving chemical stability is one of the principal tasks in ZnO-based dye-sensitized solar cells (DSCs)[1,2].One strategy to overcome this problem is to take advantage of components in the electrolyte that may protect or in some way stabilize the surface of the porous working electrode. The mixed interhalogen redox systems containing I 2Br or Br2I anions represent an - alternative that shows good compatibility with ZnO in contrast to the standard I /I3 redox couple. ZnO-based DSCs containing the interhalogen I /Br2I redox system show stable conversion efficiencies for several months. Impedance and photoelectrochemical measurements identify the characteristic and different behavior of ZnO-based DSCs with respect to TiO2-based ones. In terms of conversion efficiency, higher recombination losses offer slightly worse overall performance of ZnO-based DSCs.

IBr2- + I3-

2 IBr2-

I2Br- + Br3-

I2 + I-

Br2 + BrFigure 1: Equilibria of Interhalogen electrolytes [3] References 1. L. Ke, S. Dolmanan, L. Shen, P. K. Pallathadk, Z. Zhang, D.Ying Lai, H. Liu, Solar Energy Materials & Solar Cells 94 (2010) 323. 2. K. Keis, J. Lindgren, S.-E. Lindquist, A. Hagfeldt, Langmuir 16 (2000) 4688 3. M. Gorlov, H. Pettersson, A. Hagfeldt, L. Kloo. Inorg. Chem. 2007, 46, 3566 Keywords: Interhalogen redox electrolyte, Dye Solar Cell, Zinc Oxide

197

12.08.2013 / ORAL PRESENTATIONS Chemical Analysis / CA-O-01


Future Prospective Of Spectrochemical Analysis In Inorganic Trace And Speciation Analysis: From Macro To Microanalytics Henryk Matusiewicz Department of Analytical Chemistry, Poznan University of Technology, Poznan, Poland [email protected]

In this presentation, development of innovative macro- and micro-digestion techniques and micro-extraction, including miniaturization of the instrumentation for sample preparation and pre-concentration of volatile species, and spectroanalytical methodologies: atomic spectrometric techniques, such as flame atomic absorption spectrometry, chemical vapor generation atomic absorption and emission spectrometry, graphite furnace atomic absorption spectrometry, ultrasonic and multimode sample introduction techniques, capillary electrophoresis technique, microwave induced plasma optical emission spectrometry, with emphasis on macro- to micro interfaces will be described. One of the goal of analytical atomic spectrometry is to attain the lowest limits of detection and the exploitation of total element determination and in the area of metallomic analysis in the context of speciation analysis of the elements in biological systems. The design and development of portable micro-structured analytical instruments and “Lab-on-a-Chip” devices will improve the (ultra)trace analyses (from mg/L(kg) to ng/L(kg) levels), as an advantage of micro-structured analytical instruments is the handling of ultra-small volumes. In conclusion, the overall aim is to highlight not only the development in instrumentation for (ultra)trace element determination and speciation analysis in variety of biological matrices but the application of the developed techniques.

Keywords: Trace analysis, Optical emission and absorption spectrometry, Capillary electrophoresis, lab-on-a-chip technology, Microsampling technique

198



Importance Of Nuclear Analytical Techniques For Analysis Of Trace Elements And Their Species N.K. Aras1 and A. Chatt2 1

2

Turkish Academy of Sciences; e-mail: [email protected] Department of Chemistry, Dalhousie University, Halifax, NS, B3H 4J3, Canada

Since 1936, when the neutron activation analysis (naa) was discovered by g. Hevesy and h. Levi, the technique had a fascinating history of growth and application. Impressive developments in detectors, electronics, and data handling have paved the way for this technique for application to nearly all the branches of science. The major reasons for these achievements of naa are: the inherent sensitivity for a large number of elements, non-destructive character, activation and counting efficiency being nearly independent of matrix composition and chemical form, well defined theoretical foundation where all sources of systematic or random variation are identifiable, and its freedom of contamination after irradiation in trace analysis. Although instrumental neutron activation analysis (inaa) is the most used nuclear technique, there are other nuclear techniques that can be used for the trace element analysis. Instrumental fast neutron activation analysis (ifnaa) can be used to determine elements such as si, p, and pb. Neutron capture prompt gamma activation analysis (pgaa) is another technique which is very useful in measuring the concentrations of a number of elements such as h and c which are not suitable to measure with inaa. We have used most of these techniques for the determination of trace elements in air pollutant, food and diet, bone and other substances. In this work we will discuss diet studies which were carried out within the framework of an iaea project and afterwards we have collected more than 70 samples in turkey for different groups of population by duplicate portion techniques. Samples were homogenized using titanium blades, freeze-dried and analyzed for their minor and trace elements mostly by inaa, using nuclear reactors in istanbul, mit and dalhousie. Bread and flour samples were also collected from the same region and analyzed. Detailed studies of se by pseudo-cyclic inaa (pc-inaa) and of i by epithermal inaa (einaa) coupled to compton suppression spectrometry (einaa-css) in canadian foods have been carried out. Concentrations of more than 25 elements in total diets, bread and flour by inaa and fiber and phytate by nmr in various total diets were measured. The daily dietary intakes of these population groups and the source of the elements were determined through correlation coefficient as well as enrichment factor calculations. Preconcentration naa (pnaa) methods were developed for speciation analysis. The application of pnaa to arsenic speciation in water will be presented as an example. Keywords: neutron activation analysis, trace elements in food and diet

199



Advances In Atmospheric Pressure Gas Chromatography (Apgc) For The Analysis Of Pesticides And Persistent Organic Pollutants (Pops); Background And Applications. 1

1

G.Bondoux, 2Antonietta Gledhill

Waters European Headquaters, 78280, Guyancourt, France 2 Waters Corporation, M22 5PP, Manchester, UK Presenting author: [email protected]

Gas chromatography coupled to mass spectrometry (GC/MS) has been extensively applied for determination of volatile non-polar compounds in many applied fields including food safety and environmental analysis. One technique that has potential for GC amenable compounds is atmospheric pressure gas chromatography (APGC). A significant advantage of this technique is that it produces ionisation that is comparable to atmospheric pressure chemical ionisation (APCI). This means that APGC is a much softer ionisation technique compared to electron ionisation (EI) therefore, a considerably higher abundance of the molecular ion is detected. Fragments, which are needed for the confirmatory analysis, are obtained in the collision cell. This has significant benefits for sensitivity and selectivity. Another advantage being that this technique can be also used on an electrospray instrument with UPLC. The changeover between techniques is simple and fast with no compromise in data quality. Concerning pesticide analysis, APGC is of interest for molecules which tend to fragment too much with EI. It is also of interest for other compounds, as the sensitivity gain allows the injection of smaller amounts, increasing thus the robustness of the analysis. This will be illustrated with various examples. Concerning dioxins and dioxin-like compounds, the analysis of is most often performed on high resolution GC (HRGC) magnetic sector instruments as required by the various legislative bodies (USEPA, EU & MOE Japan). In the near future a change to the EU regulations is expected (1) and this change will allow for a more diverse range of instruments to be used for the analysis, including the potential for GC tandem quadrupole MS. An APGC source coupled to a high sensitivity tandem quadrupole instrument was used to analyse dioxins, polychlorinated biphenyls (PCBs) and brominated flame retardants (PDBEs). Data is shown including, linearity, sensitivity and repeatability. This data illustrates that the APGC is a highly sensitive, robust and flexible technique with significant advantages for the future of POPs analysis. References 1. Kotz A. & al, Organohalogen Compounds Vol 74, 156-159 (2012) Keywords: APGC, POPs, Pesticides, dioxins, PCBs, brominated Flame retardants, GC/MS/MS

200



ULTRAPERFORMANCE CONVERGENCE CHROMATOGRAPHY: EXPANDING SELECTIVITY FOR THE CHROMATOGRAPHIC LABORATORY L. Montis3, S. Rontree1, B.Oskay2, A. Sever2, H. Boiteux3 1

Waters Corporation, M22 5PP, Manchester, UK

2

Likrom Analytic Cozumler, 34736, Kozyatagi - Istanbul, Turkey

3

Waters European Headquarters, 78280, Guyancourt, France Presenting author: [email protected]

Supercritical fluidic chromatography is a fifty year old technique, which uses CO2 in a supercritical phase as the main solvent, the elution strength being tune by adding co-solvents or by modifying the operating pressure or temperature. The technique has obvious advantages, but suffered from severe limitations, linked to the difficulty to design instruments able to handle a compressible fluid, with sufficient reproducibility and sensitivity. For that reason, SFC was popular mainly for applications for which it brings a clear separation improvement, like for the separation of chiral molecules, or in preparative mode due to important cost saving and low toxicity of the eluents. In the recent years, important developments were made in the field of HPLC, with the development of sub-2micron particles, and new chromatographic systems holistically designed to take full benefit of the smaller particle. This so called UPLC or UHPLC technique opened the way to developments in the SFC domain, removing the reproducibility and sensitivity barriers. Supercritical CO2 presents interesting properties for the chromatographer. Unlike normal phase LC eluents, it is miscible with the entire eluotropic series of solvents. In addition, both traditional normal phase and reversed-phase column chemistries can be utilized. The application domain is extremely large, limited mainly by the solubility of the analytes which must have some solubility in organic solvents. So, most of the LC application domains and some of the GC domains are covered. This is why the term “convergence”, used by Calving Gidding (1) about high pressure GC, was retained to describe this chromatographic technique. 2 Similarly to UPLC, UltraPerformance Convergence Chromatography (UPC ) requires a holistically designed chromatographic system that utilizes liquid CO2 as a mobile phase to leverage the chromatographic principles and selectivity of normal phase chromatography while providing the ease-of-use of reversed-phase LC. In this contribution, we will explain the principles of the technique, detail the solvents/columns compatibility range, and illustrate it with examples chosen in the pharmaceutical, food, environment and chemical materials domains. Reference: Giddings, J.C. (1965) A critical evaluation of the theory of gas chromatography. In Gas Chromatography. 1964, edited by A. Goldup, p. 3-24. Elsevier, Amsterdam Keywords: UltraPerformance, Convergence, Chromatography, SFC

201



Development Of Highly Functionalized Zwitterionic Monolithic Columns For Capillary Liquid Chromatography Lee Wah Lim, Toyohide Takeuchi Department of Chemistry and Biomolecular Science, Faculty of Engineering, Gifu University, 1-1 Yanagido, 501-1193, Gifu, Japan Presenting author: [email protected] With the increasing concern of environmentally friendly analysis, miniaturization of separation column in liquid chromatography (LC) has been undertaken since the 1970s and the development of capillary LC (i.e. CLC) has grown rapidly as can be seen from a significant number of applications published, especially after the invention of fused-silica capillaries [1]. By using capillary columns in LC, advantages such as increased mass sensitivity due to a decrease in column’s cross-sectional area, low consumption of solvent, reagent and packing materials, use of exotic mobile phase and mobile phase additives, etc., can be expected. In order to improve separation efficiency of LC, large spherical particles had been replaced with smaller ones in traditional particulate solid phase columns. The latest technology has successfully manufactured porous particles of as small as 1 μm. However, the ultra-high pressure needed to operate such columns has made the system not suitable for routine uses despite high theoretical plate numbers are achieved. In recent years, monolithic columns, since its introduction in the early 1990s [2, 3], have been studied intensively due to its high separation efficiency with ultra low flow resistance, which make it suitable for high speed separation that is required in modern analysis nowadays. Generally, monolithic columns can be divided into two types, i.e. silica- and organic polymer-based, and both consist of μm-sized skeletons and through-pores. The silica monolith has some advantages over the polymer monolith, such as good mechanical strength, well-controlled pore structure and high column efficiency especially for small molecules. On the other hand, polymer monolith is robust over a wide range of pH and it is easy to prepare. In this study, we focused our attention to amino acids and pyridine groups for fabricating zwitterionic monolithic capillary columns. Amino acids are naturally zwitterionic compounds containing amine and carboxylic acid functional groups, and they were introduced onto the silica skeleton via epoxy ring-opening reaction between the amine group and the glycidyl moiety in 3-glycidyloxypropyl-trimethoxysilane (GPTMS) by mixing both amino acids and GPTMS in methanol aqueous solution. On the other hand, 4-vinylpyridine (pKb=8.6) was used as a monomer together with acrylic acid in fabricating polymeric ion-exchange monoliths. The prepared amino acid-bonded silica monolithic columns (0.100 mm I.D.) as well as the pyridine-based organic monolithic columns (0.320 mm I.D.) were evaluated for their anion as well as cation exchange ability, respectively. Good selectivity was achieved for the separation of common inorganic anions, while those for the cations needed to be improved. References 1. R. D. Dandeneau, E. H. Zerenner, J. High Resolut. Chromatogr. Chromatogr. Commun. 2, 351 (1979). 2. S. Hjertén, J.-L. Liao, R. Zhang, J. Chromatogr. 473, 273 (1989). 3. F. Svec, J. M. J. Fréchet, Anal. Chem. 64, 820 (1992). Keywords: Monolithic column, zwitterionic stationary phase, amino acid, pyridine, capillary liquid chromatography, ion chromatography

202

12.08.2013 / ORAL PRESENTATIONS Chemistry for Cultural Heritage / CCH-O-01


HPLC Analysis Of Yellow Dye “Phellodendron” To Determining The Provenance Of Historical Textiles Of East Asia Y. Sasaki1, K. Sasaki.2 1

2

Museum and Archives, Kyoto Institute of Technology, 606-8585, Kyoto, Japan Department of Biomolecular Engineering, Kyoto Institute of Technology, 606-8585, Kyoto, Japan Presenting author: [email protected]

Palmatine/ Berberine (%)

Phellodendron (Amur cork tree and its relatives) is widely used as a traditional yellow dye in East Asia. HPLC analyses of the dye has shown that the relative ratios of palmatine (P) and jatrorrhizine (J) to berberine (B), (the J/B and P/B ratios) in it, strongly reflect the difference between the species, Phellodendron amurense (Amur cork tree) in Japan and Phellodendron chinense in China, respectively. The provenance can easily be determined by using a scatter diagram of J/B and P/B ratios [1]. This methodology was applied in the weaving and embroidery thread from Chinese and Japanese styles of historical textiles. The ration of J/B and P/B of weaving samples were overlaid both in the typical regions where they were made and th their own design, except for one Chinese style textile: the 14 Century Kasaya, which is stored in the Donke-in temple in Kyoto. The Kasaya clearly appeared in the Japanese region of the diagrams, leading to the conclusion that even though it was Chinese style, nevertheless the Kasaya clearly originated in Japan. Regarding the embroidery thread in historical textiles, most 10 Japanese modern analytical results reflected each of the above styles, but the Chinese modern result of one Japanese style textile also appeared in a Japanese style Historical 8 Chinese region, indicating that there was a trading of dye Chinese style Historical material or dyed thread from China to Japan in ancient times. Thus, our quantitative analysis on the composition of 6 phellodendron will be a useful methodology for gaining historical information about the techniques and trading of 4 textiles in East Asia. 2

0 0

1

2

3

Jatrorrhizine /Berberine (%)

4

Figure 1:A Plot of relative amount of palmatine to berberine vs. jatrorrhizine to berberine based on HPLC analysis in extracts from weaving thread from historical textiles.

▼: Japanese style historical. ▲: Chinese style historical. ■: Japanese modern. ●: Chinese modern. References 1. Y. Sasaki, K. Fujii and K. Sasaki, Archeology and Natural Science, 63, 71-88 (2012).

Keywords: Protoberberines, HPLC analysis, Provenance analysis, Berberine, Phellodendron, Amur cork tree

203



Chemical Analysis Of Complex Balms From Mummies’ Heads M. Ménager1, C. Azémard1, C. Vieillescazes1. 1

Avignon University, Restoration Engineering of Natural and Cultural Heritage, Mediterranean Institute of Biodiversity and Ecology, UMR CNRS 7263 – IRD 237, 84000, Avignon Presenting author: [email protected] From around -5000 BC to hundreds of years AC, Egyptians preserved the corpses in order to insure their journey through the Duat and into the afterlife. A highly elaborated process divided in numerous steps was developed and evolved throughout the ages [1]. All along mummification an organic balm was applied as antibacterial, water-repellent material, fragrance and probably for religious symbolism associated with different plant [2]. It could be composed of a mixture of oils, fats, waxes (and especially beeswax), resins, gums, salts, bitumen and various barks and spices [3,4]. In this work, thirteen mummies’ heads from the Musée des Confluences (Lyon, France) were analyzed by endoscopy and radiography [5]. Embalming materials were sampled at different locations on the heads and characterized by GC/MS, FTIR and microchemical techniques. The association of all these analyses allows us to identify organic and inorganic balm components. This work had for main objective to improve the correlation between chemical and archeological data on Egyptian mummification balms. To this end identification of ancient material by analytical chemistry was developed. Samples were extracted in several solvents in order to separate the different compounds by polarity. Non polar and weakly polar compounds were trimethylsilylated and analyzed by GC/MS. In this case, we developed different mass spectrometric methods in order to enhance different resin biomarkers identification (abietane, pimarane, lupene, oleanene and ursene). All fractions were analyzed by FTIR transmission measurement and identified by interpretation of spectrometric data and comparison with certified standards. The interpretation of FTIR data implied statistical treatment by Principal Component Analysis. Results were confirmed by specific microchemical tests. Chemical analyses indicate the presence of different ingredients of balms like oil (including Brassicacae and castor oil), fat, diterpenic or triterpenic resins (from coniferae or pistacia trees), bitumen or beeswax. Moreover, results show high interand intra-specific variabilities of the chemical compositions of the samples. Thus, the mixtures used by Egyptian embalmers appear to change with the location on the head (endocranium, eyes, etc) [6]. FTIR measurement also permit to detect traces of different inorganic contents probably used as cosmetics. We also found some chemical fingerprint of natron, commonly used as desiccant of the body before embalmment. References 1. R. Clark, Myth and Symbol in Ancient Egypt (Thames and Hudson, London, 1959) 2. Watterson B. Gods of ancient Egypt (Sutton Publication, Stroud, 1996). 3. S.A. Buckley, R.P. Evershed., Nature. 413, 6858 (2001). 4. M. Serpico, R. White, Ancient Egyptian material and technology (Cambridge university press, Cambridge , 2000). 5. A. Perraud, Paleobios ,17 (2012). 6. M. Ménager, A. Perraud and C. Vieillescazes, Archeosciences. 17 (2013). Keywords: Organic embalming materials, mummification, GC/MS, FTIR, biomarkers

204



Purple Dyestuffs Of Antiquity: Role Of 6-Bromoindigotin In Defining The Nature Of Biblical Tekhelet Blue I. I. Ziderman Tekhelet Foundation, 9086000, Shoresh, Israel I. Ziderman: [email protected] HPLC-analysis, synthetic chemistry and biochemistry have been instrumental in fathoming the intricate and controversial issues raised in historical, archaeological, malacological and cultural studies of the purple-dyeing industries of Mediterranean antiquity [1]. Furthermore, these insights from chemical research are of contemporary applicability in reviving the manufacture of Jewish ritual garment-tassels from wool to be dyed Biblical tekhelet blue [2, 3]; as well as in modern purple-painting with banded dye-murex (Hexaplex trunculus) [4]. Ancient "hyacinthine purple" (Biblical tekhelet) was made from banded dye-murex that was previously considered to acquire its blue hue from its indigotin (IND) content, found in admixture with 6,6'-dibromoindigotin (DBI). However, this blue-purple is now known to be mainly 6-bromoindigotin (MBI) that can readily undergo a discontinuous thermochromic transition from violet to blue [5]. H. trunculus yields such a mixture of dyestuffs (MBI+IND+DBI), formed in coupling reactions between the two dyestuff-precursors, indoxyl in some of the individual snails and bromoindoxyl in others. In contrast, all the other species of porphyrogenic shellfish yield Tyrian purple (Biblical argaman, DBI), since they all have bromoindoxyl. Until recently it was assumed that in ancient times the purples were vat-dyed by chemical reduction of the dye, corresponding to modern industrial practice for indigoid dyes [6]. However, this hypothesis has now been refuted: for it has been discovered that a natural process of bacterial fermentation can occur to convert the insoluble dye to the leuco form required for dyeing [7]. Following this path, one may now endeavor to make genuine tekhelet wool, and thereby reveal the authentic colour as obtained in antiquity. th Muricidae were used not only for making purple. Near Kas, by the southern shores of our host-country Turkey, a 14 century BCE-shipwreck was excavated, and found to contain a shipment of opercula of H. trunculus [8]. Subjects of conjecture as to the usage of this freight, opercula are recognized as the onycha ingredient of incense. Accordingly, the same shellfish would provide the raw material for two lucrative industries, purple-dyeing and incense-blending. References 1. I. I. Ziderman, Rev. Prog. Coloration 16, 48 (1986); id. in Colour in the Ancient Mediterranean World, edited by L. Cleland & K. Stears (Hedges, Oxford, 2004), p .40. 2. I. I. Ziderman, Dyes in History and Archaeology 21, 38 (2008); id., in The Royal Purple and the Biblical Blue, edited by E, Spanier (Keter, Jerusalem, 1987), p. 207. 3. Tekhelet Foundation: www.tekhelet.info; www.tekheletfoundation.com. 4. I. Boesken-Kanold, http://pourpre.inge.free.fr. 5. I. I. Ziderman, Dyes in History and Archaeology 22 (accepted for publication). 6. O. Elsner, Dyes in History and Archaeology 10, 11 (1992); www.tekhelet.com. 7. J. Edwards, The Mystery of Imperial Purple Dye (J. Edwards, Little Chalfont, 2000); I. Boesken-Kanold, Dyes in History and Archaeology 20, 150 (2005); Z. C. Koren, ib., 136. 8. C. Pulak, Amer. J. Archaeology 92, 1 (1988), note 7 on p. 5. Keywords: purple, tekhelet, hyacinthine, Biblical blue, shellfish, 6-bromoindigotin, thermochromic, Biblical dyestuffs, Ziderman, hypobranchial gland, banded dye-murex, Hexaplex trunculus, Muricidae, onycha, incense, vat, indigotin

205



Preparation of different dispersions formulation for consolidation of Jordanian basaltic artifacts Heba Michel Alhamaty1,2, Ramadan Abdullah3, Abeer Albawab1,2 1Hamdi Mango Center for Scientific Research, The University of Jordan, Amman, Jordan 2Chemistry Department, Faculty of Science, The University of Jordan, Amman, Jordan 3Institute of Archaeology, The University of Jordan, Amman, Jordan

Basalt is an extrusive igneous rock (Nockolds, et al., 1985), formed deep under the arth crust during volcanic eruptions (Mackenzie, et al., 1982), through primary or secondary origins (Hall, 1996). Basalt mostly contain silica (45-52%), calcic plagioclase (CaAl2Si2O8), clinopyroxene (Ca, Mg, Fe (Si2O6)) and olivine (Mg, Fe)2SiO4. A specific example of an environmental problem faced is chemical weathering as a result of dissolution process of the constituent silicate minerals (calcic plagioclase (CaAl2Si2O8), clinopyroxene (Ca, Mg, Fe (Si2O6)) and olivine (Mg, Fe)2SiO4 )), causing unwanted discoloration of the ferromagnesian minerals. Weathering of basalt produces an amount of insoluble +2 +3 material as a result of chemical processes which changes ferrous iron (Fe ) to ferric iron (Fe ) of the mineral constituents. This variation produces cracks and cares weakness and discoloration of basalt (Badawy, 2004). As basalt contains calcic plagioclase (CaAl2Si2O8), clinopyroxene (Ca, Mg, Fe (Si2O6)) and olivine (Mg, Fe)2SiO4, so it reacts with CO2 to complete the carbonation reaction as follows: 2+

2+

+

(Ca , Mg ) + CO2 + H2O —► (Ca, Mg)CO3 + 2H ……….... (1) + 2+ Mg2SiO4 + 4H —►2Mg + 2H2O + SiO2 …………………… (2) + 2+ CaAl2Si2O8 + 2H + H2O —►Ca + Al2Si2O5(OH)4 …………(3)

As Basalt artifact is roughly weekend by decay, a phenomenon that created the innovation of consolidation of the artifact, which is a method that helps getting stronger and stiffer form keeping basalt original properties. The preparation of suitable consolidants will remain a challenge to many researchers in addition to predict the future effect, investigate the efficiency of those consolidant to avoid damaging effect. To obtain a suitable consolidant, certain specifications must be considered (Doehne and Price, 2010): 1) It must have the ability to penetrate the artifact, and thus having low viscosity and low contact angle with the artifact. 2) A consolidant should be dissolved in the used solvent. However, the consolidant may not necessarily penetrate as far as the solvent, and there is always a danger of the consolidant being drawn back to the surface as the solvent evaporates. 3) It should be a low viscosity system that undergoes a chemical reaction in situ to give a solid product. Reasonably, to make the artifact strong as original, the consolidant shall penetrate the artifact, binding it together. The consolidation process can prevent damage from salt crystallization, or probably it can make the surface of the artifact water-repellent. Of course, this treatment should be low cost, easy to apply, and safe to handle (Doehne and Price, 2010).

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12.08.2013 / ORAL PRESENTATIONS Chemical Synthesis / CS-O-01


Development Of Pyridinium-Ylides As Promising Dipoles For Fluorogenic Metal-Free Click Reactions 1

1

2

2

1

S. Bonte , L. Chirita , I. Ghinea , I. Baussanne1, R. Dinica , M. Demeunynck. 1 Department of Pharmacomolecular Chemistry, UMR 5063 & FR 2607, CNRS/Université Joseph Fourier, 38041, Grenoble, France 2 Department of Chemistry, Physics and Environment, Dunarea de Jos University of Galati, 800201, Galati, Romania Presenting author: [email protected] Aim of the project was to design fluorescent metal-free click ligations applied to bioconjugaison and drug design with the use of azomethine-ylides as dipoles for 1, 3-dipolar cycloadditions. Particularly, pyridinium-ylides, generated in situ from suitable pyridinium salts, are of great interest due to their good reactivity with activated alkynes, such as propiolic acid derivatives or cyclooctynes. The corresponding fluorescent indolizines are formed in a regioselective manner [1,2].

RO N O

RO

O O

Tris-phosphate buffer pH=7 N

37° C O

COOR

FLUORESCENT LINKER

Figure 1: Click reaction involving functionalized activated alkynes and pyridinium bis(methoxycarbonyl) methylides at physiological pH We defined precise specifications for this reaction including biocompatible conditions (pH 7, 37°C) and easy functionalization of the starting reagents with the reporter group or biomolecule of choice. Firstly, we screened the reactivity of a series of pyridinium salts as dipoles by playing on the nature of both the ring substituents and the Nalkylating chain. The reactivity correlates well with the pKa of the pyridinium salt and with the electron-withdrawing character of the ring substituent. Thus, we selected molecules that may react with propiolic esters in conditions compatible with the presence of biomolecules (enzymes, nucleic acids) that will be later studied as biocatalysts [3]. The synthetic strategies used to prepare the “two partners” of the cycloaddition [4] will be described, and our results on the click reaction and fluorescence properties of the final indolizine linkers will also be presented. References 1. K. Matsumo, N. Hayashi, Y. Ikemi, M. Toda, T. Uchida, K. Aoyama, Y. Miyakoshi, J. Het. Chem. 38, 371 (2001) 2. B. Furdui, R. Dinica, I. Druta, M. Demeunynck, Synthesis, 2640 (2006) 3. R. Dinica, B. Furdui, I. Ghinea, G. Brahim, S. Bonte, M. Demeunynck, Marine Drugs, 11, 431(2013) 4. S. Bonte, I. Ghinea, I. Baussanne, J.-P. Xuereb, R. Dinica, M. Demeunynck, Tetrahedron -in press- (2013) Keywords: click chemistry, cycloaddition, indolizine, pyridinium-ylides, bioconjugate

207



Chirality Induction To Polymers Using Circularly Polarized Light Tamaki NAKANO, 1 Yue WANG,1 Shiqi WANG,1 Yasuhito KOYAMA1 1

Catalysis Research Center (CRC), Hokkaido University,N21, W10, Kita-ku, Sapporo 001-0021, Japan Presenting author: [email protected]

Chiral polymers are an important class of material because they find various applications. They have been synthesized by asymmetric polymerization or regulation of supramolecular interaction between a polymer chain and a chiral additive [1-3]. As a new way of producing optically active polymers with molecular chirality, we have introduced a circularly polarized light (CPL)-driven method [4]. A preferred-handed helical conformation was reversibly induced to poly(9,9-dioctylfluoren-2,7-diyl) (PDOF) in a thin film form upon irradiation by single-handed circularly polarized light [4]. The induction mechanism is proposed to be based on a photo resolution process including a predominant excitation of right- or left-handed twist conformation in the ground state into an achiral coplanar form in excited states (Figure 1). The coplanar form is deactivated into right- and left-handed forms, resulting in enrichment of one twist form with less likelihood of excitation by the single-handed CPL than the antipode. Deactivation may tend to form a twist of which handedness is the same as single-handed twists in the vicinity that have been formed previously in earlier excitation–deactivation events. This effect should be more obvious when the difference in the populations of P- and M-twists is larger, bringing about an apparent amplification. This is the first example of helix chirality induction to a main-chain conjugated polymer using CPL. The CPL-driven method has been applied for other main-chain conjugated and vinyl polymers to afford optically active polymer materials.

Fig. 1 A proposed mechanism of helix induction to PDOF by CPL. References [1] Okamoto, Y.; Nakano, T. Chem. Rev. 1994, 94, 349 [2] Nakano, T.; Okamoto, Y. Chem. Rev. 2001, 101, 4013. [3] Yashima, E.; Maeda, K.; Iida, H.; Furusho, Y.; Nagai, H. Chem. Rev. 2009, 109, 6102. [4] Wang, Y.; Sakamoto, T.; Nakano, T. Chem. Commun., 2012, 48, 1871. Keywords: Helix, Circularly Polarized Light, Chirality, Fluorene, Tiwst, Coplanar, Excited States, Conformation

208



Synthesis Of Bifunctionalised Cyclopentenones From Furaldehyde And Derivatives João P. M. Nunes,1,2 Jaime A. S. Coelho,1 Stephen Caddick,2 Carlos A. M. Afonso1 1

i-Med.UL, Faculty of Pharmacy, University of Lisbon, Av. Prof. Gama pinto, 1649-003 Lisbon, Portugal 2 Department of Chemistry, University College London, 20 Gordon Street, London, UK, WC1H 0AJ Presenting author: [email protected]

Bifunctionalised cyclopentenones are versatile building blocks for the synthesis of natural products. In particular, C-2 amino cyclopentenones could be utilised as intermediates towards antitumor natural products such as agelastatin A, (-)cephalotaxine ester derivatives, (+)-nakadomarin, roseophilin and palau’amine. C-2 hydroxy cyclopentenones have also been proposed as intermediates for (-)-cephalotaxine as well, terpestacin, nakadomarin A, connatusin A, dactylospongenone A and aphagranins A and B. In line with our ongoing research on the synthesis of functionalized 1 cyclopentenones, here we would like to describe recent achievements that allows the short synthesis of new catalyzed 2,42 functionalized cyclopentenones through condensation of furaldehyde and derivatives with morpholine followed by 1,4addition of nucleophiles coupled with -elimination. These products were hydrolysed to meso-1,2-diketone-4functionalised cyclopentanes and reacted with primary amines affording 2-amino-4-functionalised cyclopentenones. This 3 method was also coupled with an aza-Piancatelli rearrangement to afford 2-phenyl-4-functionalised cyclopentenones. The authors are grateful to FCT and FEDER (Ref. SFRH/BD/73971/2010, SFRH/BD/31678/2006, PTDC/QUIQUI/119823/2010) for financial support. O O

O

LA (catalyst), morpholine

O

O

N

N

Then, HNu, base

N

O

Nu O

O NHR' RS

O

R'NH2

OH

H2O (H+)

RS

Scheme 1: Explored synthetic route for the synthesis of bifunctionalised cyclopentenones. References 1. J. P.M. Nunes, L. F. Veiros, P. D. Vaz , C. A.M. Afonso, S. Caddick, Tetrahedron, 2011, 67, 2779; K. P. Guerra, C. A. M. Afonso, European J. Organic Chemistry, 2011, 2372–2379; K. P. Guerra , C. A.M. Afonso, Tetrahedron, 2011, 67, 25622569; V. B. Kurteva, C. A. M. Afonso, Chemical Reviews, 2009, 109, 6809-6857. 2. S. W. Li, R. A. Batey, Chem. Commun., 2007, 3759-3761. 3. J. P.M. Nunes, C. A.M. Afonso, S. Caddick, submitted. Keywords: cyclopentenones, furfural, diamine, thioether, thiol addition, catalysis, aza-Piancatelli

209



Synthesis Of A New Polyphenolic Compound Found In Maple Syrup 1PROTEO

S. Cardinal, N. Voyer.

and Département de chimie de l’Université Laval, G1V 0A6, Québec, Canada Presenting author: [email protected]

During the recent years, increased interest for functional foods and nutraceuticals foster research efforts, by academia and by the food industry, on the discovery of new bioactive molecular agents for human diet. As a part of this effort, a new polyphenolic compound (Figure 1) formed during maple syrup processing from acer saccharum’s sap has been recently reported1.

Figure 1: Structure of quebecol

Its structural similarity with common bioactive agents such as tamoxifen and its potential antioxidant properties lead our group to work on the total synthesis of this compound, which was named quebecol after Canada’s sweetest province and the world’s premier producer of maple products. Our synthetic approach involves two key steps and uses vanillin-related compounds as starting materials. The first key step consists of a Corey-Fuchs type reaction on an α-ketoester to produce the dibromoalkene analog2. This product is used in the second key step: a double SuzukiMiyaura cross-coupling with the appropriate arylboronic acid using conditions optimised for hindered systems 3,4. This efficient and convenient strategy has led us to prepare quebecol on a large scale. Moreover, this convergent synthetic route could allow us to produce a library of analogs. This presentation will show our complete synthetic plan as well as the synthetic challenges we faced along the way. References 1. Li, L.; Seeram, N. J. Functionnal foods 2011, 3, 125. 2. Knochel, P.; Marek, I.; Vu, V.A. Synthesis 2003, 12, 1797. 3. Walker, S.D.; Barder, T.E.; Martinelli, J.R.; Buchwald, S.L. Angew. Chem., Int. Ed. 2004, 43, 1871. 4. Boudreault, P.L.; Cardinal, S.; Voyer, N. Synlett 2010, 16, 2449.

Keywords: polyphenol, maple syrup, Suzuki-Miyaura cross-coupling, Corey-Fuchs, quebecol, dibromoalkene, ketoester

210



Regioselective synthesis and pharmacological activities of spirodibenzo [ a , d ] cycloheptene- 5,2′ –[1,3,4] thiadiazole derivatives Farouk A.Gad1, Mohamed I.Hegab1, Abdel-Rahman B.A.El-Gazzar1, And Mohey Ellithey2 1

Photochemistry Department , National Research Centre , Dokki,12622,Cairo,Egypt Pharmacology Department , National Research Centre , Dokki,12622,Cairo,Egypt

2

Some new 3′,5′- substituted-5 H ,3′ H –spirodibenzo[a,d]cycloheptene- 5,2′ -[1,3,4]thiadiazole and 10,11 –dihydro-5H ,3′ H – spirodibenzo[a,d]cycloheptene- 5,2′ -[1,3,4]thiadiazole derivatives 3a-n were regioselectively synthesized under 1,3 –dipolar cycloaddition of 5-thiooxo- 5H –dibenzo[a,d]cyclo-heptene and 5 –thiooxo- 10,11 –dihydro- 5 H –dibenzo[a,d]cycloheptene with variety of nitrilimines (generated in situ via dehydrohalogenation of the corresponding hydrazonoyl chlorides in the presence of triethylamine). The new products were tested for antiinflammatory, analgesic, and ulcerogenic score activities comparable to Indomethacin. Compounds 3i-l showed significant activity compared to indomethacin. References [1] M.I.Hegab, A.s. Girgis, I.S. Ahmed Farag. J. Heterocyclic Chem., 43, 1237 (2006). [2] K.M.Dawood. Tetrahedron , 61, 5229 (2005). [3] G.Molteni, A. Ponti. Tetrahedron, 59, 5225 (2003). [4] G.Meazza, G. Zanardi. J. Flour. Chem., 67, 183 (1994) [5] I. Kalwinsch, X.Li, J. Gottstein, R. Huisgen. J. Am. Chem. Soc., 103, 7032 (1981). [6] N.H.Dogan, A.Duran, S.Rollas, G.Sener, M.K. Uysal, D.Gülen. Bioorg. Med. Chem., 10, 2893 (2002). [7] E.E Shufàn, J.C. Pedregosa, O.N. Baldini, L. Bruno-Blanch. Farmaco, 54, 838 (1999). [8] A. Fuoromadi, A.Asadipour, M. Mirzaei, J. Karimi, S. Emami. Farmaco, 57, 765 (2002). [9] M.I. Hegab, A.B.A. El-Gazar, I.S. Farag, F.A. Gad . Sulf. Lett., 25 (2), 79 (2002). [10] Gy. Mozsik, F. Moron, T. Javor. Prostaglandins Leukot Med., 9, 71 (1982).

211

12.08.2013 / ORAL PRESENTATIONS Physical Chemistry / PC-O-01


Enriching Computational Chemistry With Chemical Markup Language Semantics W.A. de Jong1, A.M. Walker2, M.D. Hanwell3, D.M. Brown1, W.A. Shelton1 1

EMSL, Pacific Northwest National Laboratory, 99352, Richland, WA, USA 2 University of Bristol, BS8 1RJ, Bristol, UK 3 Kitware, 12065, New York, NY, USA Presenting author: [email protected]

Coupling data obtained from various complex experiments and simulations has the potential to deliver a new scientific knowledge and discovery base. Within the computational chemistry and materials community there are multiple efforts to make simulation data available to the broader community. To enable researchers to effectively use diverse data sources requires semantically rich data formats and well defined interfaces. We will present our efforts to integrate NWChem and FoX to generate semantically rich Chemical Markup Language (CML) compliant Extensible Markup Language (XML) data, and the development of a comprehensive computational chemistry dictionary for CML. We will show how CML data generated by NWChem can be utilized by the open-source Avogadro visualization toolkit. In addition, we will discuss ongoing work at the Environmental Molecular Sciences Laboratory located at Pacific Northwest National Laboratory to archive and search experimental and computational data, and integrate data through the EMSLHub. Keywords: computational chemistry, chemical markup language, semantics, CML, XML

212



Coupling Of Chemistry And External And Internal Mass Trasnfer In A Stagnation-Flow Reactor: A Modeling Study H. Karadeniz1, C. Karakaya1, S. Tischer1, O. Deutschmann1,2

1

Institute for Chemical Technology and Polymer Chemistry, Karlsruhe Institute of Technology, D-76131, Karlsruhe, Germany 2 Institute for Catalysis Research and Technology, Karlsruhe Institute of Technology, 76344, Karlsruhe, Germany Presenting author: [email protected]

Introduction The stagnation-flow reactor constitutes a useful configuration to investigate the interactions between a catalytic surface and surrounding gas-phase. Its fluid-mechanical properties enable kinetic measurements and detailed modeling of the onedimensional gas-phase boundary layer including diffusive and convective transport processes coupled with elementary-step homogenous and heterogeneous reaction mechanisms. In the present study direct oxidation of CO is investigated numerically and experimentally over Rh/Al2O3 catalyst. A newly developed numerical model, which couples chemistry with the external and internal mass transfer limitations in a stagnation flow reactor, is successfully applied for the numerical investigation. Numerical Model and Results The flow equations (mass and momentum) are coupled with the energy and species continuity equations in their one dimensional form. Chemical processes at the surface are coupled with the surrounding gas-phase via boundary conditions. Internal mass transfer limitations, which are due to finite diffusion rates of reactants and products in the washcoat, are also accounted in the developed model. Effectiveness factor approach and reaction-diffusion equations are used to account for internal mass transfer limitations. Simulation results with the effectiveness factor approach and reaction-diffusion surface models show close agreement with the experiments (Figure 1-a). Reaction-diffusion simulations give an insight to physical and chemical processes in the washcoat. Species are consumed or produced just within the first 6-8 µm in the washcoat (Figure 1-b). Dimensionless Thiele modulus and effectiveness factor also confirm the strong internal diffusion limitations. These results indicate that internal mass transfer limitations become important, when the surface is coated with a washcoat layer.

a b Figure 1: a) Comparison of the experimental and simulation results of gas-phase species for CO oxidation kinetics at 873K (the reactor inlet temperature, flow velocity and working pressure are 313K, 51cm/s and 500 mbar, respectively), b) Species mole fractions inside the porous washcoat layer Keywords: Stagnation-flow reactor, internal mass transfer limitation, CO oxidation, kinetics, rhodium, heterogeneous catalysis

213



TD-DFT Investigations Of Donor-Donor-Π-Acceptor Based On Anthracene Dye Sensitizers For Solar Cells: Effects Of Intramolecular Charge Transfer S. Jungsuttiwong1, W. Kaenboot1, V. Promarak2, T. Sudyoadsuk1, S. Namuangruk3 1

Center for Organic Electronic and Alternative Energy, Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Ubon Ratchathani University, Ubon Ratchathani 34190, Thailand 2 School of Chemistry and Center of Excellence for Innovation in Chemistry, Institute of Science, Suranaree University of Technology, Nakhon Ratchasima, 30000, Thailand 3 National Nanotechnology Center, National Science and Technology Development Agency, Klong Luang, Pathumthani 12120, Thailand Presenting author: [email protected]

The structure-property-performance correlations for organic dye was rational designed to predict the performance of new organic materials and devices. Theoretical characterization of organic dye using quantum mechanical and computational chemistry tools can inform and enrich our understanding of the intramolecular charge transfer (ICT) character (Figure 1) and photo-physical properties of dye sensitizer. The results showed that introducing of triple bond to anthracene π-spacer significantly improved ICT property causing a further red shift to 492 nm. Its potential to realize high performing organic dye for solar cell has been successfully demonstrated. We found that a combination of such theoretical studies with experimental work is required for a breakthrough in the emerging multidisciplinary area of organic electronics.

Figure 1: The electronic density differences maps between the ground state and the excited state of newly designed dyes. References 1. S. Jungsuttiwong. R. Tarsang, T. Sudyoadsuk, et.al. Org. Electron. 14, 711–722 (2013). 2. S. Namuangruk, R. Fukuda,; M. Ehara, et al. J. Phys. Chem. C 116, 5653-25663 (2012). 3. S. Jungsuttiwong, T. Yakhanthip, Y. Surakhot, et al. J. Comput. Chem. 33, 1517-1523 (2012). Keywords: anthracene, TDDFT, linker, intramolecular charge transfer

214



THE RELATIONSHIP BETWEEN GEOMETRY, MAGNETISM AND COLOR IN SIMPLE BIS(PHOSPHINE) NICKEL(II)DIHALIDE COMPLEXES: AN EXPERIMENTAL AND THEORETICAL INVESTIGATION M. Schultz1, P-N Pleßow2, F. Rominger2, L. Weigel2.

1

Queensland University of Technology, 4001, Brisbane, Australia 2 University of Heidelberg, 69120, Heidelberg, Germany Presenting author: [email protected] 2

The complex (dtbpe- P)NiI2 is bright bluish-green in the solid state and in solution, but, contrary to the structure predicted for a blue or green nickel(II) complex, it is found to be close to square planar in the solid state. In solution at room 31 1 temperature, no P{ H} NMR resonance is observed, but the very small solid state magnetic moment at temperatures down to 4K indicates that the weak paramagnetism of this nickel(II) complex can be ascribed to temperature independent paramagnetism, and that the complex has no unpaired electrons. The nickel dibromide and nickel dichloride complexes of 2 2 the same bis(phosphine), (dtbpe- P)NiBr2 and (dtbpe- P)NiCl2, are maroon and red, respectively.

2

Figure 1: ORTEP diagram of (dtbpe- P)NiI2 2

Figure 2. Optical spectra of (dtbpe- P)NiX2 (X = Cl, Br, I) in solution Density functional calculations demonstrate that there is a very low barrier to distortion from an ideal square plane for these complexes. The calculations reproduce the observed structures and colours and explain the trends in colour observed for these and similar complexes. Temperature independent paramagnetism for the complexes has also been investigated using TDDFT. Keywords: temperature independent paramagnetism, UV/Vis spectroscopy, X-ray crystal structure, nickel phosphine complexes

215



Assessing The Ligand-Protein Binding Modes With Computational Tools G. Çifci1, V. Aviyente1, G. Monard2 1.Bogazici University, Chemistry Department, Istanbul, Turkey 2. Université de Lorraine, Theoretical Chemistry and Biochemistry Group SRSMC Nancy, France Designing small molecules with desirable binding affinity and biological activity is one of the major goals in computational 1-4 biology. Molecular docking, is one of the most popular methods used to identify the orientations of molecules into the 2,3 active site of a target protein structure. An important goal of computational medicinal chemistry is to develop methods that accurately can estimate the free energy of binding, ΔGbind, which allows to predict the binding strength of any drug candidate without synthesizing it. Computational methods that combine molecular mechanics energy and implicit solvation models, such as Molecular Mechanics/Poisson-Boltzmann Surface Area (MM/PBSA) and Molecular 1-3 Mechanics/Generalized Born Surface Area (MM/GBSA), have been widely used in free energy calculations. Compared 4 with rigorous methods such as Free Energy Perturbation (FEP) and Thermodynamic Integration (TI) methods, MM/PBSA 5 and MM/GBSA are computationally more efficient. The inhibition of phosphodiesterase (PDE) enzymes, which are responsible for the breakdown of adenosine 3',5'6 monophosphate (cAMP) will be investigated. The potentially clinical benefits of PDEIV inhibition require to design novel inhibitors for PDEIV enzyme with less side effects than known potent PDEIV inhibitors. For this purpose, we will consider the results of our previous work where we used pharmacophore modeling and docking process for the PDEIVB enzyme to 7 propose candidate inhibitors. For PDEIV-ligand complex, the PDEIV selective inhibitor rolipram, whose X-ray structure is cocrystallized with PDEIV (pdb code: 1RO6) will be used. The experimental binding free energies of rolipram (∆Gexp = -49.66 kJ/mol) and ‘Syntex 3’ (-53.97 kJ/mol) and a few other ligands that are known from the experimental IC 50 results of Dal Piaz 8 et al. will be tested for PDBIV (1RO6) and its complex. Then, the same procedure will be repeated for the complexes with 7 ligands proposed in our earlier work and the knowledge of calculating binding Gibbs Free energies will be extended to further studies. 1. 2. 3. 4. 5. 6. 7. 8.

Kongsted, J., Ryde, U., J.Comput. Aided Mol. Des., 23, 63-71, (2009). Rastelli, G., Degliesposti G., Del Rio, A.,Sgobba, M., Chem. Biol. Drug Des., 73, 283-286, (2009). Rastelli, G., Del Rio, A., Degliesposti, G., Sgobba, M., J. of Comp. Chem., 31(4), 797-810, (2010). Genheden, S., Luchko, T., Gusarov, S., Kovalenko, A., Ryde, U., J. Phys. Chem. B, 114, 8505-8516, (2010). Hou, T., Wang, J., Li, Y., Wang, W., J. Chem. Inf. Model., 51, 69-82, (2011). Hughes, B., Owens, R., Perry, M.,Warrellow, G., Allen, R., Drug Discovery Today., 2 (3), 89-101, (1997). Çifci, G., Aviyente, V., Akten, E.D., Molecular Informatics, 31(6-7), 459-471, (2012). Dal Piaz, V., Giovannoni, M. P., Castellana, C., Palacios, J. M., Beleta, J., Doménech, T., Segarra, V., Eur. J. Med. Chem., 33, 789-797, (1998). Keywords: Ligand-protein binding, Gibbs free energy, MM/PBSA, MM/GBSA, Molecular dynamics, inhibitor

216

12.08.2013 / ORAL PRESENTATIONS Macro and Nano Science and Technology / MNST-O-01


Enhanced Charge Transport and Device Performance in Small Molecule Organic Photovoltaics through Hydrogen Bonding Benjamin M. Schulze1, Nathan T. Shewmon2, Jing Zhang1, Davita L. Watkins1, John P. Mudrick2, Weiran Cao2, Raghida Bou Zerdan1, Anthony J. Quartararo1, Ion Ghiviriga1, Jiangeng Xue2, Ronald K. Castellano1 1Department of Chemistry, University of Florida, Gainesville, Florida, United States 2Department of Materials Science and Engineering, University of Florida, Gainesville, Florida, United States While significant research has been devoted to increasing the power conversion efficiencies (PCEs) of organic photovoltaics (OPVs), most improvements have been realized through “top-down” approaches or materials processing optimization. Reported here is enhanced performance in a small molecule bulk heterojunction OPV device by programming the pi-conjugated electron donor component with the ability to self-assemble through a specific hydrogen bonding motif and pi-stacking. The photophysical (UV-Vis) and electrochemical (CV/DPV) properties of the donor molecule and its non-assembling congener are nearly identical when dispersed in solution, but differ significantly in the bulk and in vapor-deposited thin films. OPV devices prepared from the molecules blended with C60 reveal improved charge transport and a three-fold increase in PCE for the donor system capable of self-assembly. The donor assembly structure has been independently characterized in the solution (variable temperature NMR and DOSY) and solid phase (powder XRD, TGA/DSC, FT-IR). Keywords: bulk heterojunction, hydrogen bonding, organic photovoltaic, organic semiconductor, pi-conjugated material, selfassembly

217



Powered Paint: Nanotech Solar Ink T. B. Harvey, C. J. Stolle, D. R. Pernik, J. Du, B. A. Korgel. Department of Chemical Engineering, Texas Materials Institute, Center for Nano- and Molecular Science and Technology, University of Texas at Austin, Austin, TX 78712, USA Presenting author: [email protected] Solar cells, or photovoltaic devices, convert sunlight directly into electricity. These devices have been commercially available since the 1950’s and represent a relatively mature technology. But the cost is still high compared to conventional energy sources like fossil fuels—too high for widespread adoption. Spurred on by the rising cost of oil and the need for energy technologies with much less environmental impact, a tremendous amount of progress has been made in the past few years towards developing new, low-cost photovoltaic device technologies. Researchers are changing the way solar cells are made, printing solar cells like newspaper, putting them onto flexible plastic substrates or embedding them into fabric. In our research group, we have been developing a paint that can be applied to make solar cells. Most of the research has focused on copper-indium-gallium-selenide (CIGS), but alternatives like CZTS and pyrite are also being explored. We have demonstrated that this is indeed a viable approach to making photovoltaic devices [1,2]. Our challenge now is to further develop the materials chemistry to continue to improve device efficiency to commercially viable levels. Some of the most recent progress and prospects for this technology of “painted solar cells” being developed in our group will be described.

Figure 1: Printing a photovoltaic device on plastic using a CIGS nanocrystal ink. References 1. M. G. Panthani, V. Akhavan, B. Goodfellow, J. P. Schmidtke, L. Dunn, A. Dodabalapur, P. F. Barbara, B. A. Korgel, “Synthesis of CuInS2, CuInSe2 and Cu(InxGa1-x)Se2 (CIGS) Nanocrystal ‘Inks’ for Printable Photovoltaics,” J. Am. Chem. Soc. 130, 16770-16777 (2008). 2. V. A. Akhavan, B. W. Goodfellow, M. G. Panthani, C. Steinhagen, T. Harvey, C. J. Stolle, B. A. Korgel, “Colloidal CIGS and CZTS Nanocrystals: A Precursor Route to Printed Photovoltaics,” J. Solid State Chem. 189, 2-12 (2012). Keywords: Nanocrystals, solar cells, photovoltaics, printed semiconductors

218

12.08.2013 / ORAL PRESENTATIONS Green, Sustainable and Environmental Chemistry / GSEC-O-01


The Uptake Of Mercury By Sulfur-Containing Carbon Nanotubes K. Pillay1,2,3, E.Cukrowska2 and NJ Coville1,2 1

DST/NRF Centre of Excellence in Strong Materials and School of Chemistry, University of the Witwatersrand, Private Bag 3, Wits, 2050, Johannesburg, South Africa 3 Department of Applied Chemistry, University of Johannesburg, PO Box 17011, Doornfontein, 2028 2

Presenting author: [email protected] The uptake of Hg(II) and organic forms of mercury namely dimethyl mercury and mono-methyl mercury by sulphurcontaining multi-walled carbon nanotubes (s-MWCNTs) was investigated as a function of the sulphur content, contact time, pH, temperature, competing cations and initial concentration. In control experiments the uptake of both the organic and inorganic forms of mercury by sulphur –containing activated carbon (s-activated carbon), unfunctionalised MWCNTs and unmodified activated carbon was also investigated. The results revealed that the uptake of all forms of mercury was the highest when the s-MWCNTs were employed as adsorbents. Adsorption by s-activated carbon was about 20% lower than that of s-MWCNTs due to a lower sulphur content. The extent of adsorption was about 60-80% lower when unfunctionalised MWCNTs and unmodified activated carbon were used as adsorbents. The amount of mercury adsorbed was also enhanced by increasing contact time and use of a higher pH and higher temperature. The adsorption by the unfunctionalised MWCNTs and unmodified activated carbon was hindered by the presence of competing cations. Adsorption by the s-MWCNTs and s-activated carbon was also less adversely affected by changes in pH and the presence of competing cations. The Freundlich Isotherm provided the best description of the equilibrium adsorption. These preliminary results therefore reveal that s-MWCNTs can be used for the treatment of industrial wastes that are rich in mercury and may be regenerated by using a suitable washing agent like thiourea. Keywords: Adsorption, Mercury (II), Dimethyl mercury, Mono-methyl mercury, Sulphur, Multi-walled carbon nanotubes, Regeneration, Freundlich Isotherms

219



Study Of Arsenic In Borehole Sediments Of The Jumuna –Meghna Delta And Its Mobilization With Other Metals Mohd Nur E Alam Siddique1, Md Jamal Hossain2, Md Jahangir Alam3, Md Shahin4, Mohammad Arifur Rahman5, Mohammad Ullah6, A M Shafiqul Alam7 1 Mohd Nur E Alam Siddique Department of Chemistry, University of Dhaka 2 Md. Jamal Hossain, Department of Chemistry, University of Dhaka 3 Md Jahangir Alam, Department of Chemistry, University of Dhaka 4 M. Shahin, Department of Chemistry, University of Dhaka 5 M. Arifur Rahman, Department of Chemistry, University of Dhaka 6 Mohammad Ullah, Department of Soil, Water and Environment,University of Dhaka 7 AM Shafiqul Alam,Department of Chemistry, University of Dhaka Email: [email protected] The Jumuna- meghna consists of two big rivers. It has been reported that arsenic-rich sediments [1] derived from the Himalayan Mountains and the foothills of the Shillong Plateau are deposited in the Padma delta. There is no adequate information regarding the mobilization of arsenic from northern and eastern parts of Bangladesh. The concentration of –1 arsenic in sedimentary rocks is typically in the range 5–10 mg kg . In earlier research it has been observed among the six -1 locations of borehole sediments [2] arsenic was found (84.08 mgL ) in Padma river. Previous research suggested that there is strong interrelation between As, Fe, Mn and Cu in their occurring, transport and exposure to the environment [3]. In this context, a study was conducted in this current experiment of arsenic by determining their concentration in borehole sediments at different depth in the river Jamuna and Meghna. Six locations of Jumuna River and five locations of Meghna River were considered as sample sites. Arsenic was measured by UV visible with Ag-DDTC method and Fe, Mn and Cu were -1 -1 determined by AAS. Arsenic was varied from 2.91 to 7.89 mgKg along with Jumuna river and from 2.08 to 5.84 mgKg -1 -1 along with Meghna river. Average amount of arsenic was found 5.61 mgKg in sediment of Jumuna and 4.28mgKg of -1 -1 -1 Meghna River. Average Fe, Mn and Cu were found 32.52 gKg ,584, 13gKg and 658.64 gKg in borehole sediments of -1 -1 -1 Jumuna River and 19.89 gKg , 387.59gKg and 283.16 gKg in the borehole sediments of Jumuna River. It has been observed that the concentration of Fe, Mn and Cu were higher value in Jumuna river compared to the river of Meghna river. Arsenic mobilized from upper stream to lower stream in the Jumuna river and arsenic References 1.

Chakraborti, Dipankar, Ahamed, Sad Rahman, Mohammad Mahmudur Sengupta, Mrinal Kumar Lodh, Dilip Das, Bhaskar Hossain, Mohammad Amir Mukherjee, Subhash Chandra Pati, ShymapadaDas, Niloy Kanti, J. Environmental Health Perspectives, January 2004 Vol. 112, No. 1. 2. Mohammad Arifur Rahman, Nur-E-Alam Siddique Md. Sarifuzzaman, Etmina Ahemd, and A.M Shafiqul Alam, Pak. J. Anal. & Envir. Chem, 2007 8 (1 & 2); 91-95. 3. Mohammad Arifur Rahman, Md. Mahmadul Hasan, Nur-E-Alam siddique and A.M Shafiqul Alam , Journal of Bangladesh Chemical Society, 2011 Vol. 25(1), 30-37.

Keywords: Arsenic, sediment, Jumuna-Meghna delta, mobilization

220



Nano And Porous Materials For Water Treatment And Carbon Dioxide Capture Cafer T. Yavuz1 1

Graduate School of EEWS, KAIST, 373-1 Guseong Dong, Yuseong Gu, 305-701 Daejeon, Korea Presenting author: [email protected]

Grand environmental challenges often require fundamental approaches to the chemistry that best tackles them. Arsenic in drinking water and carbon dioxide in air are the leading molecular contaminants, and in order to be widely applied, technologies that remediate them need to be sustainable by being low cost and accessible. In my talk, I am hoping to convince you that nanoscale architectures with tuned surfaces and pores are going to solve these problems. My research showed that uniform and monodisperse nanocrystals of magnetite (Fe 3O4) are the most effective adsorbents for arsenic species [1] and by switching precursors to rust, olive oil and vinegar, one can make highly crystalline magnetic arsenic sponges with very minimal costs. Heavy metals (Hg, Cd, etc.) are also effectively removed by nanoporous systems. For CO2 remediation, physisorption with nanoporous solids, especially the nanoporous organic polymers show promise as the most feasible materials since they are robust and inexpensive. We recently reported the syntheses of porous covalent organic polymers (COPs) with record CO2 adsorption capacities and selectivities over N2 and H2 [2].

References 1. Cafer T. Yavuz, et al., Science, 314, 964-967, (2006). 2. Cafer T. Yavuz, et al., Nature Communications, 4, 1357, (2013). Keywords: Arsenic, Carbon dioxide, Water treatment, CCS, Porous Polymers, Nano magnetite

221



Acetylated Kapok Fiber As Oil Sorbent Material

Supawan Tantayanon1,2*, Thitima Tanosawan3

1

Green Chemistry research laboratory, Department of Chemistry, Faculty of Science, Chulalongkorn University, 10330, Bangkok Thailand 2 Graduate Program of Petrochemistry and Polymer Science, Faculty of Science, Chulalongkorn University, Bangkok, 10330 Thailand Presenting author: [email protected]

In this study the cellulose-derived material for oil spill cleanup was prepared and evaluated. The acetylation of kapok fiber with acetic anhydride in solvent free system was carried out at various conditions. The products were 13 characterized by FT-IR and CP-MAS C-NMR spectroscopic technic. The extent of acetylation was quantitatively determined using the degree of substitution (DS). The results demonstrated that the acetylated kapok fiber had the highest DS of 2.59 when the acetylation was run at 80˚C for 2 h using 1.5% N-bromosuccinimide as a catalyst. The oil sorption capacity of acetylated kapok fiber was determined using the in-house method adapted from ASTM F726-99. The comparison with the commercial sorbent material and other acetylated natural fibers reported in the literature illustrated that the acetylated kapok fiber had highest sorption capacity. Accordingly, the acetylated kapok fiber can be an alternative oil sorbent to substitute the non-biodegradable materials available in the market.

References 1. X. F. Sun, R. C. Sun and J. X. Sun, J.Materials sci. 38 (2003) 3915-3923. 2. H. M. Chol and R.M. Cloud, Sci.Technol. 26 (1992) 772-776. 3. M. Saito, N. Ishii, S. Ogura, S. Maemura and H. Suzuki, Spill Science&Technology Bulletin. 8 (2003) 475-482. 4. T. R. Annunciado, T.H.D. Syndenstricker and S.C Amino, Marine Pollution Bulletin. 50 (2005) 1340-1346. 5. K. Hori, M.E. Flavier, and S. Kuga, J. Wood Sci. 46 (2000) 401-404. 6. M.C.V. Nagel, A. Koschella, K. Voiges, P. Mischnick, and T. Heinze, European Polymer Journal 46 (2010) 1726-1735. 7. J. Wang, Y. Zheng, and A. Wang, Industrial Crops and Products 40 (2012) 178–184. 8. D. A. Cerqueria, G.R. Filho and C.S. Meireles, Carbohydrate Polymers 69 (2007) 579-582. Keywords: Kapok Fiber, Acetylation, Acetylated Cellulose, Oil Sorbent

222



Adsorption of selenite and arsenate from the aqueous solution on virgin and iron impregnated activated carbon A. Naeem*, M.I. Shah, T. Mahmood, and M. Muska National Center of Excellence in Physical Chemistry, University of Peshawar, Peshawar-25120, Pakistan, e-mail: [email protected]

The present work is focusing on the removal of arsenate [As (V)] and selenite [Se (IV)] from the aqueous solution using iron impregnated activated carbon (Fe-AC). Both the virgin carbon and Fe-AC were characterized by using several techniques like surface area, PZC, SEM, EDX, TG/DTA, FTIR analysis. A comprehensive study of the batch adsorption technique was undertaken to test the sorption of both arsenate [As (V)] and selenite [Se (IV)] on virgin and Fe-AC. The equilibrium in the systems was established in 8 and 9 h for As (V) and Se (IV) adsorption respectively. It was observed that the uptake of As (V) and Se (IV) by Fe-AC increases with the increase in temperature. The extent of the arsenate and selenite anions sorption was observed to decrease with the increase in pH of the system. Activation energies (Ea) were found to be 44.12 and 43.64 -1

kJ mol for As (V) and Se (IV) adsorption respectively, thus showing that both the processes are following the chemisorption mechanism. Ionic strength experiments showed that inner-sphere complexation is responsible for the removal of As (V) and Se (IV) by Fe-AC. Moreover, desorption of both the As (V) and Se (IV) from the Fe-AC into the aqueous media was more significant at pH 12. D-R model was used to assess the mean energy of sorption (E) for both the anions present in the system. It was inferred that iron impregnated carbon has a greater affinity for the removal of both the arsenate and selenite from drinking water as compared to the virgin carbon. Keywords: selenate, arsenate, Fe-AC

223

12.08.2013 / ORAL PRESENTATIONS Life Chemistry / LC-O-01


On Medical Chemistry: Approaches To Chemical Interaction Hormones – Cell Receptors Eva Neu1, Michael Ch. Michailov1, Ursula Welscher1, Janka Foltinova2, Germain Weber3 1

Inst. Umweltmed. c/o ICSD e.V.: Innsbruck, Muenchen, New Delhi, Paris, Sofia, POB 340316, 80100 Muenchen, Germany 2 Dept. Histology & Embryology, Comenius Univ., 84248 Bratislava, Slovakia 3 Inst. Psychology (Dean), Univ. Luxembourg & Vienna, 1010 Wien, Austria Presenting author: [email protected]

I. Introduction: Herbal drugs (nicotine=N), hormones, e.g. acetylcholine=ACH, serotonine (5-hydroxytryptamine=5-HT), vasopressin=VP have very complex effects on animal-human organisms incl. cardio-vascular (a), neurogenic (b), psychopharmacological (c). There is no effective therapy till today for arterial hypertension, cardiac arrhythmia, tobacco consume: all depends on N/5-HT/VP, caused by failure of information about chemical properties of substances and their cell receptor interaction, nearly 400 years after discovery of blood circulation (Harvey 1628) and chemical neurotransmission (Sir Henry Dale/GB, Otto Löwi/Austria-FRG, Julius Axelrod/USA). I. Method: Blood-pressure of normal/spinal rats (artificial respiration and temaperation 37°C). II. Results (recent/earlier) – open questions(=Q): AET (= ß-amino-ethyl-isothiuronium), esp. in water-solution = MEG (inhibitor of Ca-independent isoform of NO-synthase:10-300mg/100g) influenced hormonal and reactions to electrical stimulation of central nervous system (CNS), leading to cardiac & blood-pressure changes in normal & spinal animals. [1] CNS: MEG&N changed depressor-reaction (dR) to acetylcholine (0.1-1µg/100g) into a biphasic one by nicotinic cholinergic receptors (=nACHRs), slow depressor response to electrical central vagal stimulation (55Hz,2ms,5s,5V). Q: What is the kind of interaction between MEG-N and chemical structure of CNS-types from nACHRs (esp. types alpha-42-beta23)? [2] Potentiation of BP-reactions to peptide hormones: MEG potentiates VP pressor (octapeptide:0.05-5mU/100g) and bradykinine (nonapeptide) depressor reactions. Q: What is the interaction of MEG and chemical structures of neuronal VPR1b and vascular VPR1a receptors? [3] Inversion of 5-HT depressor (0.1-6µg/100g) into pressor reaction by MEG: Q: What kind of interaction exists between MEG and chemical structures of 5-HT1-7 receptors (G-protein coupled), esp. 5HT1a-f, 5-HT2a-c, 5-HT7? Conclusion: Further chemical analysis of hormonal receptor structures, physico-chemical mechanisms, also in relation with new derivatives of MEG could open new approaches for therapy of arterial hypertension. Dedication to support 2012-1980 of Nobel-Laureates K.FUKUI/Japan, .J.KARLE/USA, J.-M.LEHN/France, H.ROHRER/Suisse, F.SANGER/GB References 1 Michailov et al., Experientia 25:621-622 (1969) (a); Strahlenther. 147:290-7 (1976) (b) (bradykinin rec.) 2 Neu et al., In: Front.Rad.Ther.Oncol., edited by Vaeth/USA, Karger (Basel, 1997), Vol. 31, 22-35 (IORT-1996-San Francisco) 3 Nichols, D.E., Nichols, C.D., Chem. Rev. 08(5), 16/4-41 (2008) (vasopressin rec.) 4 Purves, Dale et al., Neuroscience, Sinauer Ass. (2008), 122-6 (ACH rec.) Keywords: nicotine, mercatoethylguanidine, vasopressin, 5-hydroxytryptamine

224



Radiolabeled DOTA-Glucosamine Conjugates – Their Synthesis And Validation As GLUT1 Cancer Imaging Agents I. Tworowska1,2, D. Ranganathan2 , S. Thamake2, E. S. Delpassand1,2 1

RadioMedix Inc., 77042, Houston, TX, USA RITA Foundation, 77042, Houston, TX, USA Presenting author: [email protected]; [email protected] 2

Increased expression of glucose-transporters, especially GLUT1 is one of the key feature of proliferating cancer cells [1]. There is a clinical correlation between cancer-initiation, progression, and treatment-outcome and increased GLUT118 expression [2]. To-date, F-fluorodeoxyglucose-(18F-FDG) is the only clinically approved diagnostic agent that target glycolytic-pathways in cancer cells. 18F-FDG has shown clinical and diagnostic limitations that can affect sensitivity and specificity of tumor-detection. Thus, there is a need to develop novel radiolabeled-glucose analogs that will overcome limitations of 18F-FDG and can be produced on-site with no-access to cyclotron-facility. These novel radiolabeled glucose analogs can acts Trojan-horses allowing for selective-delivery of isotope to metabolically- active tumor cells. For the past few years, we have been working on the synthesis of radiopharmaceuticals that will target metabolic-pathways in cancer cells and can be used for both imaging and therapy [3]. Here, we present our results on the synthesis of glucosamine DOTAconjugates (RMX-GC) by conjugation of 2-acetamido-N-(ε-minocaproyl)-2-deoxy-β-D-glucosylamine to click-mates, BCN-Nhydroxysuccinimide and MFCO- hydroxysuccinimide followed by Cu-free click-coupling with 3-azido-propyl-monoamide 68 DOTA chelator. Final click-compounds were analyzed by ESI-MS and HPLC. Their labeling with isotope, GaCl3 (t1/2=69 min) was completed in sodium-acetate-buffer pH=4.1 in 10min. The percent of radiochemical-yields (RCYs) of labeling68 reactions were determined by iTLC and radio-HPLC. Ga-labeled agent were validated as PET-metabolic agents in xenograft-model of breast and prostate cancers. RMX-GC agents have shown high radiochemical stability, yield of labeling, high tumor-specific accumulation in-vivo with limited off-target uptake. RMX-GC agents are novel very promising tracers for detection of GLUT-1-overexpressing-tumors. References 1. M. L. Macheda, S. Rogers and J. D. Best, Journal of Cellular Physiology, 202, 654-662, (2005). 2. M .Younes, R.W. Brown, D.R. Mody, L. Fernandez and R. Laucirica, Anticancer Research, 15, no.6, 2895-2898, (1995) 3. I. Tworowska, J. Sims-Mourtada, E.S. Delpassand, International Pub No PCT/US12/43255, 2010 Keywords: carbohydrate, radioisotope, Cu-free click chemistry, cancer, gallium-68, imaging, chelator

225



Innovative Active Pharmaceutical Drugs As Ionic Liquids L.C. Branco1, A. Costa, G. V. S. M. Carrera, R.Ferraz, Z.Petrovski, I.Marrucho, M.N.Ponte 1

REQUIMTE, Faculdade de Ciência e Tecnologia, UNL, 2829-516 Caparica, Portugal Escola Superior de Tecnologia da Saúde, Instituto Politécnico do Porto, 4400-330, Vila Nova de Gaia, Portugal; 3 Instituto de Tecnologia Química e Biológica, UNL,2780-157 Oeiras, Portugal Presenting author: [email protected] 2

The use of an active pharmaceutical drug as a liquid (at room temperature) can avoid some of polymorphism problems associated with crystalline solids which can dramatically influence a drug’s solubility and thus its dosages. The combination of Ionic Liquids, as an attractive class of materials, with active pharmaceutical ingredients (APIs) can offer novel and 1,2 distinctive properties compared to its stability, solubility, permeability and delivery . Recently, our group has developed different classes of API-ILs based on anti-inflammatories (e.g. ibuprofen and naproxen derivatives), antibiotics (e.g. 3 ampicillin and ciprofloxacin derivatives), anti-epileptic (valproate) and neurological pharmaceutical drugs . All these pharmaceutical drugs in the cationic or anionic form will be combined with appropriate biodegradable and non-toxic counter-ions, according the use of sustainable and optimized synthetic methods. All API-ILs have been completely characterized by spectroscopic and analytical methods in order to evaluate their structure and purity. Some physical, chemical and thermal properties as well as their bioavailability and toxicity behavior have been evaluated. It´s proof that depending on selected counter-ions for synthesis, it is possible to tune some physical-chemical, thermal and biological properties of desired API-ILs.

Ibuprofen Ampicillin This innovative concept can be illustrated by the development of [C16Pyr][Ibuprofen] and [Choline][Ampicillin] which suppress the characteristic polymorphism from ibuprofen and ampicillin as well as improve their water solubility, 3 permeability as well as chemical or thermal stability . Additionally, Cetylpyridinium and Choline are considered as biocompatible and low toxic cation for pharmaceutical approaches. References 1. W. L. Hough, M. Smiglak, H. Rodríguez, R. P. Swatloski, S. K. Spear, D. T. Daly, J. Pernak, J. E. Grisel, R. D. Carliss, M. D. Soutullo, J. H. Davis, Jr. R. D. Rogers, New J. Chem., 31, 1429 (2007). 2. R. Ferraz, L. C. Branco, C. Prudencio, J. P. Noronha, Z. Petrovski, ChemMedChem 6, 975 (2011). 3. R. Ferraz, L. C. Branco, I. Marrucho, J. Araújo, M. N. Ponte, C. Prudêncio, J. P. Noronha, Z. Petrovski, Med. Chem.Commun. 3, 494 (2012). Keywords: Active Pharmaceutical Drugs (API), Ionic Liquids, Polymorphism, Bioavaliability

226



Genochemistry—Chemistry Designed For Life Sciences Zizhang Zhang1, Allan Svendsen2, Helen Hailes3, Hak-Sung Kim4, Francesco Nicotra5, Miroslava Cuperlovic-Culf6 1

Zhejiang University, Department of Chemistry, Hangzhou, China 2

3

University College London, Department of Chemistry, United Kingdom 4

5 6

Novozymes A/S, Krogshoejvej 36, 2880 Bagsvaerd Denmark

Kaist, Molecular Evolution, Biomolecular Recognition, South Korea

University of Milano-Bicocca, Department of Biotechnology and Biosciences, Milano Italy

National Research Council of Canada, Institute for Information Technology, Moncton, Canada Presenting author: [email protected]

Abstract Nature embeds life secrets in sequences of big biomolecules such as DNA, RNA and proteins. The information can be transferred from one end to another. Decoding enzyme’s sequences with their substrome is a significant step towards better understanding of the world’s biological systems, and also a tremendous challenge. On the other hand, candidate technologies and methodologies to accomplish this goal are largely available, yet they have not been brought into practice for this purpose. Combining them for this renewed purpose constitutes, in fact, a new distinctive science which rests on the foundation of biocatalysis and bioinformatics. We henceforth refer to as Genomic Chemistry, or Genochemistry in short, in extension of the ‘omics’ cascade to chemical end. In this communication, we provide an update of IUPAC Project No. 2009-021-3-300, giving a brief discussion of the principles, framework and perspective of Genochemistry through a model shown below. sequence profile C

sequencing data mining

Enzyme N

D

Enzyme ...

sequence profile A D

P

Enzyme C

Enzyme B

P

Enzyme A D

digital models

substrome C

substrome A

activity tests data mining P: Promiscuous activity D: digitization

Figure 1. Gemochemical model

227



Synthesis Of Single Chain Nitro-Tyrosine B16 Des Thr-B30

M. A. Zewial Peptide Chemistry Department, National Research Centre, Dokki, Giza, Egypt Presenting author: [email protected] A new class of human insulin analogues has been developed and produced by biosynthetic and semi synthetic methods. These analogues are characterized by the replacements or deletion of single amino acid residue to the C-terminal of the β chain. The analogues have been evaluated by measuring the in vitro biological potency in mouse fat cells, by osmometric determination of association state in solution at natural pH and the blood glucose lowering effect found after subcutaneous injection in pigs. Our plan is to synthesis Nitro-Tyrosine (B16)-insulin as single chain with deleting of Thr-B30 Systematic procedure is as follows  Zinc free insulin and enzymatic cleavage of B23-30 to give des-octa peptide (DOP) insulin  Sulfitolysis of (DOP) insulin to give A(SSO3)4+B(SSO3)-DOP to give A(SS)2+B(SS)2-DOP after reduction-oxidation  Synthesis of heptapeptide B23-29 by automatic peptide synthesizer

Tfa

Boc-Gly-Phe-Phe-Tyr-Thr-Pro-Lys-(P) OBut

OBut 

Cleavage of heptapeptide B23-29 from resin, purification, and protection of the N-terminal heptapeptide by Bocgroup  Coupling of Boc-B23-29 to A(SS)2 by chemical coupling with Dicyclohexyl carbodiimide (DCCI) method  Nitration of Tyr(B16)DOP insulin with tetranitromethan  Protection of Boc-B23-29 A(SS)2 (cleavage of Boc group)  Coupling of NO2-Tyr(B16)DOPBSS+B23-29-A(SS)2 to give single chain as des Thr-B30 insulin by using trypsine as single chain des Thr-B30 insulin Characterization of the single Des (Thr-B30) insulin NO2-Tyrosine was held by HPLC, capillary electrophoresis amino acid analysis. Keywords: Human insulin, Nitro-Tyrosine, Nitro-Tyrosine B16 des Thr-B30

228

12.08.2013 / ORAL PRESENTATIONS Materials Science / MS-O-01


Complexity From Simplicity: Unique Polymer Capsules, Rods, Monoliths And Liquid Marbles Prepared Via HIPE-In-Microfluidics M. Talha Gokmen1-2, Busra Dereli2, Bruno De Geest3, Filip Du Prez2 1

2

Life Technologies, Lillestrom, Norway Ghent University, Department of Organic Chemistry, Ghent, Belgium 3 Ghent University, Department of Pharmaceutics, Ghent, Belgium Presenting author: [email protected]

Existing methods for preparing complex particles, i.e. hollow porous, depend on either multiple steps or a complex reactor design. Here we report a straightforward method to prepare unique polymer particles with complex shapes via the use of simple equipment and readily available chemicals. Beads, capsules and rods with uniform size and interconnected pores were obtained through the formation of high internal phase emulsion (HIPE) droplets in a microfluidic channel. The method is applicable to a broad range of (meth)acrylates. Controlling physical properties, such as viscosity and emulsion stability, is key to control the shape of the resulting particles. Post-modification of the particles via click chemistry, their application in liquid marble formation and use as droplet reactors are also demonstrated.

Scanning electron microscopy images of poly(HIPE) particles. A) Monosized beads; B) microtomed capsule; C) broken hollow rod. References 1. M. T. Gokmen, B. Dereli, B. G. De Geest, F. E. Du Prez, Part. Part. Syst. Char. accepted (2013) 2. M. T. Gokmen, W. Van Camp, P. J. Colver, S. A. F. Bon, F. E. Du Prez, Macromolecules 42, 9289-9294 (2009) 3. M. T. Gokmen, F. E. Du Prez, Prog. Polym. Sci. 37, 365-405 (2012) Keywords: Porous polymers, capsule, bead, rod, monolith, high internal phase emulsion, liquid marble, microfluidics

229



Controlled Wetting Of Polymer Surfaces: From Superhydrophilic To Superhydrophobic Çağla Koşak, Emel Yilgör and Iskender Yilgör Surface Science and Technology Center (KUYTAM), Chemistry Department, Koc University, Istanbul 34450, Turkey Presenting Author: [email protected] A simple process and a general method was developed for the preparation of polymeric materials with controlled surface wettability. Method is applicable to a wide range of polymeric materials, thermoplastic or thermoset. Using this simple process it is possible to prepare polymeric surfaces with static water contact angles ranging all the way from 0° (superhydrophilic) to greater than 170° (superhydrophobic). The method developed is based on the spin-coating of a hydrophilic/hydrophobic silica mixture dispersed in an organic solvent onto the polymer surface. Preparation and surface characteristics of polystyrene (PS) and a crosslinked epoxy resin (ER) films will be provided as general examples. Depending on the composition of the hydrophilic/hydrophobic silica coating mixture used, it was possible to obtain PS and ER surfaces displaying gradually changing properties from superhydrophilic to superhydrophobic. Polymer surfaces obtained were characterized by scanning electron microscopy (SEM), white light interferometry, atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS) and static water contact angle measurements. Experimentally determined static water contact angles on polystyrene and epoxy resins (Figure 1) surfaces and the contact angles calculated using Cassie-Baxter equation were very close to each other. Effects of the type of polymeric substrate and composition of the silica mixture on the surface behavior of the composite systems were investigated.

Figure 1. Images of the representative static water contact angles measured on the silica coated epoxy resin samples as a function of the silica composition. References 1. Yilgor, I.; Bilgin, S.; Isik, M.; Yilgor, Polymer 2012, 53, 1180-1188 2. Manoudis, P.N.; Karapanagiotis, I.; Tsakalof, A.; Zuburtikudis, I.; Panayiotou, C. Langmuir 2008, 24, 11225-11232 3. Sun, T.; Feng, L.; Gao, X.; Jiang, L. Acc. Chem. Res. 2005, 38, 644-652 4. Xu, L.; Raghuraman, G.; Karunakaran, J.G.; Yang, ACS Appl. Mater. Interfaces 2012, 4, 1118-1125 Keywords: controlled wetting, superhydrophobic, superhydrophilic

230



Tuning Transparent - Conducting Tin Oxide Properties Using Aerosol - Assisted Chemical Vapour Deposition Nuruzzaman Noor, [email protected], University College London Supervisor: Prof. Ivan P. Parkin Tin oxide (SnO2) based transparent conducting materials (TCM) play a crucial role in a variety of modern - day applications 1-5 including solar panels, optoelectronics, solar control coatings and gas sensors. In solar cells Fluorine - Tin - Oxide (FTO) has displaced the market leader Indium - Tin - Oxide (ITO) as the material of choice for the transparent electrodes. This is due to its ability to couple excellent transparent and conducting properties with a morphology that readily allows for light 1 scattering; improving silicon solar cell efficiency. The next generation of green chemistry and electronics applications will require further improvements in TCM properties. 6 However, the intrinsic performance limitations of TCM materials are fast being approached. Ionised impurity scattering and the plasma frequency onset place restrictions on the attainable electrical conductivity and optical transparency. Such limitations can be circumvented by, for example, exploring novel doping strategies and/or manipulating deposition parameters in order to tailor film performance and morphology to the application. The work presented here explores the effects of deposition parameter tuning and dopant variation via Aerosol - Assisted Chemical Vapour Deposition (AACVD) on the transparent - conducting properties of SnO2 - based films. Marked differences in both morphology and performance are observed when changes to CVD - carrier solvent, carrier gas, deposition temperature and novel dopant source are made. Optimised conditions result in impressive film properties including carrier mobilities and sheet resistances that exceed commercial standards. This will help improve outputs for the next-generation of solar cells, further advancing the cause of renewable technologies. Figure 1: SEM images illustrating the morphology changes in SnO2 - based transparent - conductors resulting from different reaction conditions.

References [1] Noor, N.; Parkin, I. P. J. Mater. Chem. C 2013, 1, 984–996. [2] Noor, N.; Parkin, I. P. Thin Solid Films 2013, 532, 26 – 30. [3] Parkin, I. P.; Manning, T. D. J. Chem. Edu. 2006, 83, 393. [4] Granqvist, C. G. Sol. Energ. Mat. Sol. Cells 2007, 91, 1529 – 1598. [5] Wager, J. F.; Keszler, D. A.; Presley, R. E. Transparent Electronics; Springer: New York, 2008. [6] Bellingham, J. R.; Phillips, W. A.; Adkins, C. J. J. Mater. Sci. Lett. 1992, 11, 263 – 265.

Keywords: transparent conductor, solar, thin film, CVD

231



Novel Phenomena For Aggregation Induced Emission Enhancement: Highly Fluorescent Hydrophobic TPE-BODIPY Couples In Both Organic And Aqueous Media Melek Baglan,1 Sevilay Ozturk,1 Bahri Gür,2 Kadem Meral,2 Uğur Bozkaya,2 O. Altan Bozdemir,2 Serdar Atılgan1 1

Department of Chemistry, Suleyman Demirel University, Isparta, Turkey, 2 Department of Chemistry, Ataturk University, Erzurum, 25240, Turkey Presenting author: [email protected]

A series of easily prepared BODIPY (BOD) derivatives bearing tetraphenylethene (TPE) groups at the 8-position (TPE-BOD), 2,6- positions ((TPE)2-BOD), and 2,6,8-positions ((TPE)3-BOD) are presented. Investigations on the aggregate formation with emission enhancement of these derivatives in aqueous media provided valuable information about their AIEE properties. Although these fluorophores are highly emissive in THF, they are weakly fluorescent in the %60 water-THF solution. However, (TPE)2-BOD and (TPE)3-BOD compounds are able to become highly emissive in solutions with higher water contents due to the aggregate formation, demonstrating their AIEE activity. In contrast, highly intense emission of (TPE)BOD in THF is smoothly quenched with decreasing the solvation. The role of TPE units on AIEE activity has been investigated with fluorescence spectroscopic studies by means of comparison experiments performed on a BODIPY derivative carrying only phenyl substituents at the 2 and 6 positions. Aggregate formation in these derivatives was also demonstrated by LB-film studies and theoretical calculations supported the AIEE effect in longer wavelengths due to an increased conjugation. SEM images of (TPE)3BOD distinctly demonstrate the nanoaggregate formation in various solvent mixtures. Aggregate dimensions, determined from DLS analyses, are also consistent with results reported for many wellknown AIEE active chromophores.[1] In the light of these results, (TPE)2BOD and (TPE)3BOD are presented as novel longwavelength AIEE active compounds being highly emissive in both polar and nonpolar solvents, functioning according to a rear example of fluorescence on-off-on switching phenomenon. Figure 1: Fluorescence (under UV illumination) and SEM images of TPE-BOD couple in THF, 60%THF-water, 80% THF-water. References 1. J. Wang, J. Mei, R. Hu, J. Z. Sun, A. Qin, B. Z. Tang, J. Am. Chem. Soc. 2012, 134, 9956. 2. A. Qin, J. W. Y. Lam, L. Tang, C. K. W. Jim, H. Zhao, J. Sun, B. Z. Tang, Macromolecules, 2009, 42, 1421 Keywords: AIE, BODIPY, TPE, Fluorescent molecules, aqueous media

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Photoinduced Switching Of Nitro-Spiropyran-Dithiolane Self-Assembled Monolayer Using In Situ Sum Frequency Generation (SFG) Spectroscopy T. Darwish1, Y. Tong 2,3, M. James1, T. Hanley1, Q. Peng3, S. Ye3. 1

Australian Nuclear Science and Technology Organisation (ANSTO) Locked Bag 2001 Kirrawee DC NSW 2232, Australia. 2 Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany 3 Catalysis Research Center, Hokkaido University, Sapporo 001-0021, Japan. [email protected] Photochromic spiropyran units respond to light and undergo a reversible isomerization between the orthogonal spiro- (SP) and the planner mero- (merocyanine, MC) forms. While the switching properties of free spiropyran molecules in solution are well understood [1], how these molecules and their photoisomerising adducts geometrically assemble and switch in self-assembled monolayers (SAMs) require significant further study at a molecular level. In this study we present how SFG spectroscopy is employed to investigate the reversible, photoinduced isomerisation of a self-assembled monolayer, the result of attachment of nitro-spiropyran to a gold surface using a dithiolane anchoring group [2]. The attachment of these molecular “alligator clips” to spiropyran molecules provide an easily accessible method to self-assemble a robust monolayer of spiropyran on a gold surface, which allows photoswitching of the spiropyran units. Probing the symmetric and antisymmetric stretching modes of the nitro-group allows the determination of the structural orientation of the charged moiety with respect to the surface normal as well as the isomerisation rates under photo-induced switching conditions. Direct knowledge of the structure of molecules at interfaces is vitally important to such area of research as shape, structure, and molecular orientation are directly related to function.

Figure 1: Nitro-spiropyran-dithiolane SAM on gold surface studied by SFG spectroscopy. References 1. a) T. A. Darwish, R. A. Evans, M. James, N. Malic, G. Triani, and T. L. Hanley, J. Am. Chem. Soc. 132, 10748 (2010); b) T. A. Darwish, R. A. Evans, M. James, and T. L. Hanley, Chemistry - A European Journal, 17, 11399 (2011). 2. T. A. Darwish, Y. Tong, M. James, T. Hanley, Q. Peng and S. Ye, Langmuir, 28, 13852 (2012). Keywords: Photochromic materials, self assembled, soft matter, Sum Frequency Generation Spectroscopy, stimuli responsive surfaces.

233



Supramolecular Polymerization Of C3-Symmetric Organogelators: Cooperativity, Solvent And Gelation Relationship F. Aparicio1, F. García1, L. Sánchez1 1

Departamento de Química Orgánica, Facultad de Ciencias Químicas, Universidad Complutense de Madrid, 28040 Madrid, Spain. Presenting autor: [email protected]

A challenging task in the field of supramolecular polymers involves the investigation of the relationship between supramolecular polymerization mechanism and gelation ability of relatively simple organogelators. [1], [2]Because of the 3 gelation phenomenon is a complex process, two series ofC -symmetric discotics,1 and 2, have been synthesized with the challenging task of determining some rules that enable the design of efficient and functional organogelators. [3] Variable temperature (VT) circular dichroism (CD) experiments of chiral organogelatorsdemonstrate thecooperative supramolecular polymerizationof these compounds in methylciclohexane and toluene, solvents in which they are able to form gels. In contrast, isotermaltritationcalorimetry experiments of these organogelators in chloroform, solvent in which they do not form organogeles, lead to isodesmic polymerization mechanisms.The data extracted from the gelation studies in different solvents allow concluding that chiral centers and a bigger -surface are negative for the gelation process and confirm the strong influence of the chemical structure in the gelation ability.A direct correlation between the supramolecular polymerization mechanism, structure and gelation ability have been extracted from these studies (Figure 1).

Figure 1. Chemical structure of the two series of organogelators (left), picture of the gel (top right) and cooperative fit for the self-assembly of compound 2 (botton right). References 1. M. Roman, C. Cannizzo, T. Pinault, B. Isare, B. Andrioletti, P. vander Schoot and L. Bouteiller,J. Am. Chem. Soc.132, 16818 (2010). 2. A. R. Hirst, I. A. Coates, T. R. Boucheteau, J. F. Miravet, B. Escuder, V. Castelletto, I. W. Hamley and D. K.Smith,J. Am. Chem. Soc.130, 9113 (2008). 3. F. Aparicio, F. García and L. Sánchez, Chem. Eur. J. 19, 3239 (2013). Keywords: sel-assembly, cooperativity, gelation relationship, organogelator, CD, ITC

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Synthesis And Photophysical Properties of α,ω-Bis(Terpyridyl)Oligothiophenes And Their Metallo-Supramolecular Polymers P. Štenclová, T. Vitvarová, J. Svoboda, J. Zedník, J. Vohlídal Charles University, Faculty of Sciences, Department of Physical and Macromolecular Chemistry 128 40 Praha 2, Czech Republic Presenting author: [email protected] Reversible linking of α,ω-functionalized oligomer molecules by non-covalent interactions or appropriately labile covalent or coordination bonds gives a macromolecule of a constitutional-dynamic polymer, so called dynamer.[1] Main advantages of dynamers are easy processing by using a suitable solvent or increased temperature or both and possibility of their postsynthesis modification allowing tuning their properties or self-healing their chains by reshuffling their components. An ideal dynamer can be repeatedly switched between polymeric and oligomeric state in contrast to polymers composed of “permanent” macromolecules. Metallo-supramolecular polymers are a class of dynamers. They are composed of of defined oligomeric molecules with chelate end-groups reversible linked by coordination to metal ions. As the main-chain coordination units represent a relatively high proportion of the overall macromolecules, they significantly contribute to properties of the whole dynamer. In this contribution we report the preparation and photophysical properties of a series (library) of oligothiophenes with 2,2':6',2''-terpyridine (tpy) end-groups (see below), their transformation to metallo-supramolecular polymers by 2+ 2+ coordination with Zn and Fe ions, and properties of the obtained polymers.[2-4] N N

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References 1. J. M. Lehn, Prog. Polym. Sci. 30 (2005) 814. 2. J. Svoboda, P. Štenclová, F. Uhlík, J. Zedník and J. Vohlídal, Tetrahedron 67 (2011) 75. 3. T. Vitvarová, J. Zedník, M. Bláha, J. Vohlídal and J. Svoboda, Eur. J. Inorg. Chem. 24 (2012) 3866. 4. P. Štenclová, J. Zedník, I. Šloufová, J. Vohlídal and J. Svoboda, (submitted).

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Photomagnetic Effects In Cyano-Bridged Bimetal Assemblies H. Tokoro 1,2 and S. Ohkoshi 3,4 1

Materials Science, Graduate School of Pure and Applied Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577, Japan 2 NEXT, JSPS, 5-3-1 Kojimachi, Chiyoda-ku, Tokyo 102-0083, Japan 3 Department of Chemistry, School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033, Japan 4 CREST, JST, K’s Gobancho, 7 Gobancho, Chiyoda-ku, Tokyo 102-0076, Japan Presenting author: [email protected]

Research associated with development of materials exhibiting novel functionalities has been extensively studied in the field of solid state science. Up to date, we have reported various unique magnetic functionalities using cyano-bridged bimetallic 1 8 assembly, such as ferroelectric-ferromagnet, high proton conductive magnet, reversible photomagnet, and so on.  Furthermore, we have observed a photo-reversible metal-semiconductor phase transition at room temperature in 9 lambda-titanium oxide. In this presentation, we report photomagnetic phenomena in octacyano-bridged bimetal assemblies, i.e., (i) huge photomagnetic coercive field in CoW octacyano-bridged assembly, and (ii) light-induced spin-crossover ferromagnetism in FeNb octacyano-bridged assembly. 8

Huge photomagnetic coercive field in CoW octacyano-bridged assembly Spontaneous magnetization due to charge-transfer-induced spin state transition was observed in a three-dimensional Co-W bimetal assembly, Co3[W(CN)8]2(pyrimidine)2 (4-methylpyridine)2.6H2O. The photomagnetic phase, induced by irradiating of 785 nm laser light at 3 K, exhibited a spontaneous magnetization with a TC of 48 K and a huge magnetic hysteresis loop with a coercive field (Hc) of 27000 Oe at 2 K. These values of TC and Hc are the highest reported for photoinduced magnetization systems. 6

Light-induced spin-crossover magnet in FeNb octacyano-bridged assembly Spontaneous bulk magnetization due to light-induced spin-crossover was observed in a metal-organic framework (MOF) based on a three-dimensional Fe-Nb bimetallic assembly, Fe2[Nb(CN)8]·(4-pyridinealdoxime)8·2H2O. This photomagnet II showed magnetic phase transition at 20 K, which originates from the long-range magnetic ordering between the Fe HS sites IV through −NC−Nb (S=1/2)−CN− bridge. References [1] S. Ohkoshi and H. Tokoro, Accounts Chem. Res., 45, 1749 (2012). [2] H. Tokoro and S. Ohkoshi, Dalton Trans., 40, 6825 (2011). [3] S. Ohkoshi, et. al., Nature Materials, 3, 857 (2004). [4] S. Ohkoshi, et. al., Angew. Chem. Int. Ed, 46, 3238 (2007). [5] H. Tokoro, et. al., Chem. Mater., 20, 423 (2008). [6] S. Ohkoshi, et. al., Nature Chemistry, 3, 564 (2011). [7] H. Tokoro, et al., Chem. Mater., 24, 1324 (2012). [8] N. Ozaki, et. al., Adv. Funct. Mater., 20, 2089 (2012). [9] S. Ohkoshi, et. al., Nature Chemistry, 2, 539 (2010) Keywords: molecular magnet, cyano-bridged bimetal assemblies, photomagnetism.

236



‘One Step’ Reaction Strategies From Janus Platforms To Reach Well-Controlled Self-Assemblies: Alternatives To Sams P. DU 1, D. KREHER 1,3, F.MATHEVET 1, AJ. ATTIAS 1, F. CHARRA 2 1

UPMC, Laboratoire de Chimie macromoléculaire, rue Galilée, 94200 Ivry, France 2 CEA-SACLAY, DSM/DRECAM/SPCSI, F-91191 Gif-sur-Yvette Cedex, France 3 ENSTA, UCP/DCSO-UMR CNRS 7652, 91128 Palaiseau Cedex, France Presenting author: [email protected]

One critical challenge in the field of two-dimensional (2D) supramolecular self-assembling at surfaces is to exploit the room above the substrate to provide to the adlayer potential functionalities. To achieve this goal, a few strategies have been developed [1]. In this context, we recently introduced the Janus tecton concept, a two-faced building-block comprising one face acting as pedestal steering the (2D) self-assembly while the other one is an active pi-conjugated entity lifted from the substrate [2].

3D building block

Self-assembly on HOPG

Figure 1: Janus tecton design and expected self-assembly on highly-oriented pyrolytic graphite. However so far no demonstration of a versatile strategy for simultaneously generating surface-based supramolecular architectures and tailoring the functionality of the exposed surface, as for chemisorbed self-assembled monolayers (SAMs), has been reported. Consequently, here we present a versatile strategy to directly attach a variety of functional moieties (triazine, terpyridine, ferrocene, azobenzene, …) to the nanopillar containing Janus platforms on demand through only ‘one step’ reactions to form the (3D) Janus tectons *3+. We demonstrate then by STM on highly-oriented pyrolytic graphite (HOPG) at liquid/solid interface that these (3D) tectons can be self-assembled as expected, exposing the functionality to the third dimension with a reproducible control and lateral order. To conclude, these monolayers illustrate the potential of Janus tectons as alternative to SAMs and as robust platforms for generating functional (3D) nanostructures on graphite. References [1] M. O. Blunt, J. C. Russell, M. del C. G.-Lopez, N. Taleb, X. Lin, M. Schröder, N. R. Champness and P. H. Beton, Nature Chem., 2011, 3, 74. *2+ a) D.Bléger, D. Kreher, F. Mathevet, A. J. Attias, I. Arfaoui, G.Metgé, L. Douillard, C. Fiorini Debuisschert, F. Charra, Angew. Chem. Int. Ed. 2008, 47, 8412. b) D.Bléger, D. Kreher, F. Mathevet, A. J. Attias, A. Bocheux, Angew. Chem., Int. Ed 2011, 50 (29), 6562. [3] Unpublished results, P. Du et al, Nat. Chem., submitted. Keywords: supramolecular self-assembly, HOPG nanostructuration, materials chemistry, liquid solid STM

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12.08.2013 / ORAL PRESENTATIONS Chemical Industry and Innovation/ CII-O-01


The Effect Of Hydrogen Enrichment Of Methane Fuel On Flame Stability And Emissions O. Tuncer1 1

Istanbul Technical University, 34469, İstanbul, Turkey Presenting author: [email protected]

The effect of hydrogen enrichment of methane fuel in a premixed flame configuration is studied experimentally. A laboratory scale 30 kW thermal power swirl stabilized test rig was built for this purpose. Hydrogen enrichment increases the adiabatic flame temperature and NOx emissions through the Zeldovich pathway. On the other hand hydrogen addition extends lean flammability limits of methane considerably. Therefore through lean combustion, since adiabatic flame temperature is reduced, it becomes possible to reduce NOx emissions as an overall effect. Static stability limits are investigated through blowout correlations. For low hydrogen percentages lean blowout data correlates better with the flamelet based reactor loading parameter. With increasing hydrogen content correlation is better with regards to a well reactor model. There is a great mismatch between methane and hydrogen flame speeds. Increasing hydrogen content also poses significant challenges in terms of flame flashback due to increased propagation speeds. Furthermore, it is also concluded that Wobbe index, which is often used as a measure of gaseous fuel interchangeability by the power generation industry, is not an appropriate scaling parameter for methane/hydrogen mixtures. Due to profound changes in flame behavior, a novel design methodology is needed in order to burn hydrogen rich fuels in premixed gas turbine combustors. Keywords: methane, hydrogen enrichment, emissions, flame stability

238



Production Of P-Xylene By Highly Selective Methylation Of Toluene M. T. Ashraf, R. Chebbi, N. A. Darwish Department of Chemical Engineering, American University of Sharjah P.O. Box 26666 Sharjah, United Arab emirates p-Xylene is an important industrial compound and its demand has been increasing in recent years. It is mostly produced from cracking of naphtha but there is a need for new and cost effective methods for the production. Toluene alkylation with methanol over alumino-silicate zeolite, like ZSM-5 catalyst, produces a mixture of xylene isomers with low p-xylene selectivity. Due to very close boiling points of xylene isomers it is very expensive to separate them. There has been some success in enhancing p-xylene selectivity by modifying the ZSM-5 catalyst. This results in reduced separation cost which makes toluene methylation a competitive process for p-xylene production. Based on these findings a novel process for the production of p-xylenes by the catalytic methylation of toluene followed by reactive distillation for the separation of pxylene (instead of the more costly conventional technique of separation based on crystallization and adsorption) is developed and a complete process flow diagram (PFD) is simulated using Aspen Plus®. Using the built-in optimization tool in Aspen Plus®, reactor parameters are optimized for a maximum p-xylene selectivity of 97.7%. After separation p-xylene product stream purity of 99.7% is achieved. High p-xylene selectivity in the reactor and use of reactive distillation reduces the separation cost and renders the new process economically competitive. Keywords: p-xylene production, toluene methylation, toluene alkylation xylene separation, reactive distillation

239



Novel Crosslinkable Alkaline Anion Exchange Membranes For Fuel Cells S. Pırıl Ertem, Tsung-Han Tsai, E. Bryan Coughlin Department of Polymer Science and Engineering, University of Massachusetts Amherst, 01003, Amherst, MA, USA Presenting author: [email protected] Our motivation is to design mechanically robust, thermally stable Anion Exchange Membranes (AEMs) with high ion conductivity and alkaline stability. We have synthesized a series of polyisoprene-ran-poly(vinyl benzyl trimethylammonium chloride) copolymers via nitroxide mediated copolymerization of isoprene and 4-vinylbenzyl chloride followed by quaternization with trimethylamine. Membranes were drop cast from polymer solutions in methanol onto Teflon® sheets. Cast membranes were either thermally or UV crosslinked, taking advantage of the double bonds remaining on the isoprene o units to obtain water insoluble mechanically durable membranes. Thermal crosslinking was performed at 140 C for 16 hours. Membranes cast from a solution containing a photoinitiator and a dithiol crosslinker were exposed to 365 nm UV 2 light (360 J/cm ). Both thermally and UV crosslinked AEMs showed an ionomer peak during humidity controlled SAXS measurements corresponding to a 4 – 7 nm interdomain spacing, reminiscent to that observed in Nafion®. The ionomer peak shifted to smaller spacing with decreasing relative humidity (RH) suggesting a decrease in domain size. An increase in peak width with increasing ion exchange capacity (IEC) indicated formation of smaller domains. Conductivities achieved from thermally (IEC:2.34) and UV crosslinked (IEC:2.14) AEMs are 8.0 mS/cm and 14.2 mS/cm respectively in chloride form o at 50 C and 95% RH. The incorporation of alkyl and alkoxy spacer modified styrenic cations into random copolymers will be prepared to compare chemical and physical properties of these novel crosslinked membranes. This presentation will highlight effects of structural features on thermal, chemical and mechanical stabilities and conductivity properties of AEMs.

Keywords: Anion Exchange Membranes, Fuel Cells

240



Hydrothermal Synthesis Of Solid Oxide Fuel Cell Electrolyte Materials O. J. Good, R. J. Darton, R. M. Ormerod Keele University, Keele, Staffordshire, ST5 5BG, UK Presenting author: [email protected] Solid Oxide Fuel Cells (SOFCs) are comprised of an anode, an electrolyte and a cathode, with the electrolyte layer often determining the operating temperature of the fuel cell. An ideal electrolyte would optimise the transport of oxygen ions at the lowest possible temperatures in order to avoid thermal degradation. Cubic bismuth oxides have attracted a great deal of attention in recent years due to their high oxide ion conductivities. Bi2O3 has been shown to exist as four polymorphs; α, β, γ, δ-phases with the cubic δ-phase only being stable within the 1 temperature range of 730 – 825 °C. At these temperatures the material adopts a fluorite-type structure but with defects 3+ in the oxygen sub-lattice. It is these vacancies combined with the highly polarising effect of the lone pair electrons on Bi that account for the high oxygen ion conductivity in δ-Bi2O3, which is 2 orders of magnitude higher than in stabilized zirconia. There have been many reported attempts to stabilize the cubic form below the phase transition temperature, however, all of these are either quenched phases or fcc-based tetragonal phases, which slowly convert to a more stable 2 phase such as a layered rhombohedral material when annealed at temperatures below 700 °C.

Figure 1. Cubic fluorite structure. Hydrothermal synthesis provides a method for overcoming many of the limitations of other solid state synthetic techniques and leads to phase pure materials with predictable and accurate stoichiometries. Compared to standard solid state methods, hydrothermal synthesis provides better control of structure, morphology and crystal growth, typically at significantly lower temperatures. In this presentation we will show how a range of stable cubic Zr1-xBixO2-x/2 materials with a defect fluorite phase can be successfully synthesised by low temperature hydrothermal methods. References 1. Shuk, P. Solid State Ionics, 89, 179-196 (2000). 2. Watanabe, A. Solid State Ionics, 40-41, 889-892 (1990). Keywords: Hydrothermal Synthesis, Solid Oxide Fuel Cells, Electrolyte, Low Tempetature

241



Carbon-Supported Binary And Ternary Ptsnm/C Catalysts For Direct Ethanol Fuel Cell K. B. Kokoh1, C. Coutanceau1, P. Olivi2, A.R. de Andrade2, G. Tremiliosi-Filho2 1

Université de Poitiers, IC2MP UMR CNRS 7285, “Equipe E-lyse”, Département de Chimie, 4 rue Michel Brunet – B27, BP 633, 86022 Poitiers cedex, France 2 Departamento de Quimica da Faculdade de Filosofia, Ciências e Letras de Ribeirão Preto, Universidade de São Paulo, Av. Bandeirantes, 3900, 14040-901 Ribeirão Preto, SP, Brazil 3 Instituto de Quimica de São Carlos, Universidade de São Paulo, Caixa Postal 780, 13560-970 São Carlos, SP, Brazil Presenting author: [email protected] Direct ethanol fuel cell (DEFC) has attracted interest as power source due to the possibility to reach high-energy density. Ethanol is an attractive liquid fuel obtained from biomass, it is easy to handle and exhibits low toxicity. However, to find a catalyst that allows its complete electro-oxidation producing 12 electrons per molecule still remains a great challenge. While Pt-based anodes are the best catalysts for alcohol oxidation in acid medium, Sn is potentially able to provide Ospecies for CO removal during the dissociative oxidation of ethanol on Pt active sites. Thus, binary PtxSny and ternary PtxSnyMz (M = Ir, W, etc) electrocatalysts were tested under DEFC conditions. The electrocatalysts were prepared by the Pechini-Adams modified method on carbon Vulcan XC-72, and nominal compositions were characterized by TEM and XRD. The XRD results showed that the electrocatalysts consisted of the Pt displaced phase, suggesting the formation of solid solutions between the metals Pt-Sn-M. Moreover, the increase in Sn loading promoted phase separation, with formation of peaks typical of cubic Pt3Sn. The electrochemical investigation of these different electrode materials was conducted as a -3 -3 function of the electrocatalyst composition, in a 0.5 mol dm H2SO4 + 1.0 mol dm ethanol solution. The membrane electrode assemblies (MEAs) used were prepared by hot pressing a pretreated Nafion® 117 membrane placed between a −2 −2 commercial Pt cathode (2 mg cm metal loading 40 wt %) and PtSnM/C prepared anodes (2 mg cm Pt loading 40 wt %) at −2 130 C for 3 min, under a pressure of 35 kg cm . The operating fuel cell performances were determined in a single DEFC 2 with a geometric surface area of 5 cm , using a Globe Tech test bench. The temperature was set to 90 or 110 C for the fuel −1 cell and 95 C for the oxygen humidifier. The ethanol solution (1 mol L ) and oxygen pressures were set to 1 and 3 bar, −2 respectively. The efficiency of the better anode (Pt90Sn10/C) reaches 72 mW cm at 110 C. At this same temperature, the −2 average power density obtained for the PtSnM/C catalysts investigated is around 35–40 mWcm . However, it should be −2 mentioned that the power density obtained for Pt/C is only close to 10–12 mW cm . The analysis done at the output of the anodic compartment of the fuel cells shown that ethanol oxidation on PtSnM/C catalysts led mainly to acetaldehyde and acetic acid, consequently, the ethanol oxidation on PtSnM/C catalysts was mainly a two- and four-electron sustainable processes, respectively. Acknowledgements: FAPESP, CNPq, Brazil and CAPES(Brazil)/COFECUB(France). Keywords: ethanol, fuel cell, PtSnM/C catalysts, binary catalysts, ternary catalysts

242



A Novel Perovskite Catalyst With High Selectivity And Activity For Partial Oxidation Of Methane For Fuel Cell Applications J. Staniforth1, S.E. Evans, O. J. Good, R. J. Darton, R. M. Ormerod 1

Birchall Centre for Inorganic and Materials Chemistry, Institute for Environment, Physical Sciences and Applied Mathematics, School of Physical and Geographical Sciences, Keele University, Staffordshire, ST5 5BG, United Kingdom Presenting author: [email protected]

Perovskite-based materials (general formula ABO3) have been proposed as potential anode materials for Solid Oxide Fuel Cells (SOFCs) [1,2] due to their potentially high electronic conductivity and catalytic properties. To date, however, perovskite-based anodes have yet to demonstrate improvement compared to standard nickel based cermets due primarily to their poor catalytic performance [3]. Here we describe a perovskite-based material produced by low temperature hydrothermal synthesis with a high activity and selectivity towards partial oxidation of methane, as opposed to total oxidation products which tend to predominate [4]. Initial studies show a low level of carbon formation which does not increase with increasing time on stream. Figure 1 shows that by 480°C the material already shows some towards partial oxidation and by 900°C essentially all the available methane is being utilised.

Figure 1: Temperature Programmed Partial Oxidation of Methane

243



Synthesis And Characterization Of Polyphosphazene Based Proton Exchange Membranes For Fuel Cell Applications Mariamu Kassim Ali1, Burak Yigen2, Yunus Karatas2, Selmiye Alkan Gursel1, Selmiye Alkan Gursel3 1 Faculty of Engineering and Natural Sciences, Sabanci University, 34956 Tuzla, Istanbul, Turkey 2 Department of Chemistry, Ahi Evran University, Bagbasi, 40100, Kirsehir, Turkey 3 Nanotechnology Research and Application Center, Sabanci University, Turkey Fuel cells are one of the potential candidates for effective renewable energies that are being investigated in order to divert the overdependence on fossil fuels. Fossil fuels have had adverse effects on human life like emissions which result in global warming and environmental pollution. There is ongoing research on polymer electrolyte membrane fuel cell (PEMFC) – a type of fuel cell- because it has zero emission, has a high power density1 and is one of the most efficient fuel cells. This type of fuel cell has three components the anode, cathode and the membrane and this work is greatly focusing on developing a suitable membrane. In large use as its membrane are Nafion® and its related products which have excellent chemical stability and ionic conductivity and meet the requirements of fuel cells however they have high cost and undergo 0

dehydration at temperatures greater than 80 C and this result in poor performances2. With these in mind there is need to find alternative proton exchange membranes which will meet the requirements of PEMFC. This work is focused on the synthesis and characterization of new polyphosphazene based proton exchange membranes with high ionic conductivity and good mechanical properties. Synthesis of three different types of polyphosphazene to serve as proton exchange membranes will be carried out from poly (dichlorophosphazene) (PDCP), which is the precursor polymer. These polymers will have two different - heteroatom containing and not side chains in varying ratios obtained via macromolecular substitution method. After the basic characterization of these polymers, membranes will be prepared by proper sulfonation or phosphonation of the polyphosphazene using sulfuric acid, chlorosulfonic acid and phosphoric acid. Membranes will be evaluated in PEMFC for their performances as well. References 1. Bochris, J., Srinvasan, S., “Fuel Cells: Their Electrochemistry”, McGraw-Hill, New York, 1969. 2. S. Alkan Gürsel, L. Gubler, B. Gupta, G. G. Scherer „Radiation grafted membranes‟ 'Fuel Cells 1', Advances in Polymer Science, Springer, Vol. 215 (2008) Keywords: PEM Fuel Cell, Polyphosphazene, Polydichlorophosphazene (PDCP), Sulfonation

244



Application Of Atmospheric Pressure Photon Ionization Hydrogen Deuterium Exchange Mass Spectrometry (APPI-HDX MS) For Speciation Of NitrogenContaining Compounds In Heavy Crude Oils Sunghwan Kim1, Yun Ju Cho1, and Arif Ahmed1 1

Department of Chemistry, Kyungpook National University, Daegu 702-701, Republic of Korea

High resolution mass spectrometry has widened our knowledge of crude oil’s chemical composition at the molecular level. Chemical formulae can be calculated from exact mass numbers obtained by high resolution mass spectrometry. However, chemical structures of the formulae are largely unknown. In this study, atmospheric pressure photon-initiated hydrogen deuterium exchange mass spectrometry (APPI-HDX MS) was proposed and demonstrated as a method to do speciation of nitrogen-containing compounds in heavy crude oils. After a series of standard compounds were analyzed by APPI-HDX MS, it was shown that APPI-HDX MS could be applied to categorize nitrogen-containing compounds as primary amines, secondary amines/pyrroles, tertiary amine or pyridines. The APPI-HDX MS was also applied to nitrogen rich oils; Qinhuangdao (N content ~ 4400 ppm) and an oil shale extract of rocks obtained from Piceance Basin Mahogany zone in Colorado of USA. The APPI-HDX MS analyses have shown that the resin fraction of the shale oil is rich in pyridine type compounds but the resin fraction of the Qinhuangdao is rich in secondary amines/pyrroles type compounds.

Keywords: mass spectrometry, deuterium, exchange, hydrogen, petroleum

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Flow Field-Flow Fractionation And Mass Spectrometry For Lipidomic Analysis Of Human Lipoproteins Myeong Hee Moon Dept. of Chemistry, Yonsei University, Seoul, 120-749, Korea Flow field-flow fractionation (FlFFF) has been successfully utilized for the size fractionation of macromolecules, nanoparticles, large biomolecules like proteins, DNA, subcellular organelles, biological vesicles, and cells. The size fractionation capability of FlFFF for biomaterials has led its utility toward proteomics application in combination with liquid chromatography-electrospray ionization-tandem mass spectrometry (LC-ESI-MS/MS). This presentation will show recent results of FlFFF for lipidomics analysis of lipoproteins in human blood using off-line and on-line combination with MS. It demonstrates that high density lipoprotein (HDL) and low density lipoprotein (LDL) from plasma samples of patients having coronary artery disease (CAD) can be separated and collected in their intact forms on a semi-preparative scale using multiplexed hollow fiber FlFFF and that collected fractions can be used for the lipidomic analysis of various lipids with structural identification using nLC-ESI-MS/MS. It also shows a recent development of on-line chip-type asymmetrical FlFFF with MS (AF4-ESI-MS/MS) for the top-down lipidomic analysis of human lipoproteins. The miniaturized AF4 operating at a micro flow rate regime enabled to be HDL/LDL separated by hydrodynamic diameters with the simultaneous desalting of lipoproteinsm which enhances ionization of lipoproteinic lipid molecules during the feeding of AF4 effluent to ESI-MS. The developed method was applied to plasma samples from CAD patients for the simultaneous analysis of lipoproteinic lipids, resulting in the identification of various phospholipids, regioisomers of triacylglycerols, and cholesteryl esters, demostrating that it can be utilized for high speed screening of target lipid species in LDL depending on the disease status. Keywords: field-flow fractionation, LC-ESI-MS-MS, lipoprotein separation, lipidomics, coronary artery disease

246



Extraction Of Arsenic Species In Tailing From The Small-Scale Gold Mining In Selogiri, Wonogiri Regency, Central Java, Indonesia Noor Fitri1*, Arifudin Idrus2, Gita Nurmalasari1, & Krisna Merdekawati1 1

Chemistry Department, Islamic University of Indonesia, 55584, Yogyakarta, Indonesia Department of Geological Engineering, Gadjah Mada University, 55581, Yogyakarta, Indonesia Presenting author: [email protected]; [email protected]

2

A study on extraction of arsenic species in gold mine tailing from the small-scale mining area in Selogiri, Wonogiri Regency, Central Java has been conducted. The extraction was done in five stages according to the arsenic species group extracted. Stage 1, the tailing sample was extracted by 1 M NH4Cl for 2 hours at pH 7 to separate a soluble arsenic species group (As1). Stage 2, the sample is extracted by 0.5 M NH4F for 15 hours at pH 8 to fractionate the second group of arsenic species (As-2). Stage 3, the sample was extracted by 0.1 M NaOH for 17 hours at pH 12 to separate the third arsenic species group (As-3). Stage 4, the sample was extracted by 0.25 M H2SO4 for 12 hours to separate the fourth arsenic species group (As-4), and the last stage, the sample was extracted by a concentrated HCl 4 mL, HNO 3 2 mL and HF 2 mL (heating until half dry) to fractionate the fifth arsenic species group (As-5). Arsenic species concentration was determined by Graphite Furnace Atomic Absorption spectrophotometry (GF-AAS) using SNI 06-6869.54-2005 protocol. The analytical result shows that the arsenic species As-5 is a largest arsenic fraction with a concentration of 2654 ppm (88.76% of arsenic total). The concentration of As-4 is 33.6 ppm (1.12% of arsenic total), 33.2 ppm (1.11% of arsenic total) for As-2, 31.9 ppm (1.07% of arsenic total) for As-3, respectively. Species As-1 has a lowest concentration of 4.1 ppm (0.14% of arsenic total). It is interpreted that the largest species fraction (As-5) present in the gold mining tailing is possibly occurred in form of minerals such as arsenian pyrite (Fe,As)S2 or arsenopyrite (FeAsS). Arsenic species study is important to be done for a better understanding of types and characteristics of the heavy metal present in the hazardous tailing, and this would be helpful in the tailing recycling to be pesticide raw material. Keywords: arsenic species, tailing, Small-Scale Gold Mining, Selogiri-Indonesia

247



Determination Of Haloacetic Acids In Swimming Pool Waters By MembraneProtected Micro-Solid Phase Extraction Chanbasha Basheer1,2* Department of Chemistry, King Fahd University of Petroleum and Minerals, P.O.Box-1509, Dhahran, Saudi Arabia 31261. ABSTRACT In this study, a simple and efficient extraction method for determining Haloacetic Acids (HAAs) in swimming pool waters has been developed. HAAs are toxic organic pollutants of disinfection origin most commonly detected in swimming pool and drinking waters at trace level concentrations. For the first time, a highly efficient sorbent was developed using rice husk waste and used as sorbent for micro-solid phase extraction (μ-SPE). To increase the extraction capability of rice husks, iron oxide was incorporated via sol-gel process. In μ-SPE device, the novel sorbent was packed and used for extraction of HAAs prior to eventual ten minutes analysis using ultra performance liquid chromatography-ultraviolet detection (UPLC-UV). Various extraction parameters were optimized to improve the extraction efficiency of the device. The limits of detection obtained for the six target HAAs ranges from 0.04 to 2.31 ng/L . Linearity and good correlation coefficients obtained were > 0.9986. The method was applied to swimming pool water to evaluate its feasibility. The mean concentrations for HAAs from the pool waters were in the range of 6.8 and 48.6 ng/L which are far below the standard values set by United States Environmental Protection.

Keywords: Micro-solid phase extraction, Ultra performance liquid chromatography, Rice Husk, silica supported Fe ions, Haloacetic acids, sol-gel coatings

248



Effect Of Plant Growth Regulators On Physiology, Proximate Composition And Antioxidant Status Of Broccoli (Brassica Oleracea L.) M. Hameed1, B. Sultana1, F. Anwar3, H. Munir2, M. Mushtaq1 1

Department of Chemistry and Biochemistry, University of Agriculture, Faisalabad-38040, Pakistan. 2 Department of Crop Physiology, University of Agriculture, Faisalabad-38040, Pakistan. 3 Department of Chemistry, University of Sargodha, Sargodha-40100, Pakistan. Presenting author : [email protected]

Field experiment was conducted to investigate the effect of foliar application of Plant Growth Regulators (PGRs) on the biochemical attributes, proximate composition and antioxidant status of broccoli (Brassica oleracea) leaves. PGRs such as humic acid (HA), cytokinin” (CK), gibberellic acid (GA3) and GA3+CK were exogenously applied at different concentrations. All the treatments exhibited variable effects on all parameters. HA (0.6%), GA3+CK (20+20) ppm, GA3 (20 ppm) and CK (40 ppm) increased moisture content (%), ash content (%), crude fiber content (%) and crude protein content (%), respectively. Antioxidant activity of broccoli leaves was also improved by some treatments of PGRs. Total phenolic content (TPC), total flavonoids content (TFC), reducing power and DPPH radical scavenging activity was improved by HA (0.4%). Biochemical attributes such as chlorophyll content, total soluble proteins, proline and melondialdehyde content (MDA) were also assessed. Results showed that maximum total chlorophyll content (1.98 mg/g FW), protein content (7.09 mg/g FW), proline content (0.62 µg/g FW) were exhibited by GA3+CK (10+10) ppm, GA3 (20 ppm) and GA3+CK (20+20) ppm treated samples respectively. Meanwhile, GA3+CK (10+10) ppm was found to be most effective in lowering MDA content (0.89 µM/g FW) of broccoli leaves. The results of conducted study indicated foliar application of PGRs more effective in the improvement of biochemical, proximate and antioxidant status of broccoli leaves. Fig 1 Total Chlorophyll content (mg/g FW) of broccoli (Brassica oleracea) leaves as affected by PGRs

249



Fig 2. Total soluble protein (mg/g FW) of broccoli (Brassica oleracea) leaves as affected by PGRs

Fig 3 Proline content (µg/g FW) of broccoli (Brassica oleracea) leaves as affected by PGRs

Fig 4 MDA content (µg/g FW) of broccoli (Brassica oleracea) leaves as affected by PGRs

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1 Proximate composition of broccoli (Brassica oleracea) leaves as affected by PGRS Treatments

Concentrations applied

Moisture content (%)

Ash content (%)

Crude fiber content (%)

Crude protein content (%)

Control (Water spray)

50 mL

92.00±0.05b

6.60±0.33e

17.00±0.85b

4.70±0.14c

60 ppm

93.00±0.04 ab

17.60±0.88b 22.00±1.1b

7.60±0.23b

40 ppm

94.00±0.07a

6.60±0.33e

24.00±1.2b

12.70±0.38a

20 ppm

93.00±0.06ab

7.20±0.36e

18.00±0.9c

10.20±0.30ab

60 ppm

93.00±0.09ab

16.60±0.83b 14.00±0.7c

6.90±0.21b

40 ppm

94.00±0.05a

9.60±0.48d

15.00±0.8c

11.20±0.33a

20 ppm

92.00±0.09b

5.50±0.27e

29.00±1.4a

8.90±0.26b

(30+30) ppm

93.00±0.07ab

7.60±0.38e

15.00±0.7c

9.50±0.28ab

Cytokinin (CK)

Gibberellic acid (GA3)

GA3+CK

Humic acid (HA)

(20+20) ppm

92.00±0.05b

22.0±1.10a

18.00±0.9b

11.70±0.35a

(10+10) ppm

94.00±0.09a

6.60±0.33e

24.00±1.2b

7.90±0.23b

0.6 %

92.00±0.08b

11.80±0.59c 22.00±1.1b

8.70±0.26b

0.4%

95.00±0.0a

9.00±0.45d

24.00±1.2b

10.20±0.30a

0.2%

92.00±0.06b

10.50±0.52c 28.00±1.4a

9.80±0.29ab

2 Reducing power and radical scavenging activity of methanolic extracts of broccoli leaves at 10 mg/mL of extracts concentration as affected by PGRs Treatments

Concentrations applied Reducing power Radical scavenging activity (%)

Control (Water spray

50 mL

1.60±0.05d

82.00±2.52c

Cytokinin (CK)

60 ppm

1.56±0.04d

80.00±2.40c

40 ppm

1.80±0.05b

90.00±2.70b

20 ppm

1.70±0.05c

86.00±2.58bc

Gibberellic acid (GA3) 60 ppm

1.15±0.03g

85.00±2.55bc

40 ppm

1.72±0.05c

88.00±2.64bc

20 ppm

1.83±0.05b

74.00±2.22d

GA3+CK

Humic acid (HA)

(30+30) ppm

1.40±0.04e

82.00±2.46c

(20+20) ppm

1.63±0.05d

91.00±2.73b

(10+10) ppm

0.81±0.02h

84.00±2.52bc

0.6 %

1.24±0.03f

87.00±2.61bc

0.4 %

1.90±0.06a

96.00±2.88a

0.2 %

1.82±0.05b

90.00±2.70b

3 Total phenolic content (TPC GAE mg/100g) and total flavonoids content (TFC CE mg/100g) of methanolic extracts of broccoli leaves as affected by PGRs Treatments

Concentrations applied

Control (Water spray) 50 mL Cytokinin (CK)

220.92±6.62e

77.95±2.46e

60 ppm

196.29±5.88g

54.71±1.34g

40 ppm

239.24±7.17d

183.87±1.81a

20ppm

214.62±6.43f

98.17±1.78d

256.36±7.69c

90.21±1.13d

40ppm

274.07±8.22b

154.37±2.04b

20ppm

138.75±4.16h

66.27±2.05f

(30+30) ppm

187.06±5.61g

68.33±2.01f

Gibberellic acid (GA3) 60 ppm

GA3+CK

TPC TFC (mg GAE/ 100g DW) (mg CE/100g DW)

251


Humic acid (HA)


(20+20) ppm

221.56±6.64e

109.48±2.87c

(10+10) ppm

275.99±8.27b

95.40±1.43d

0.6 %

245.52±7.36c

149.86±3.04b

0.4%

390.30±9.33a

188.72±4.50a

0.2%

276.73±8.30b

107.58±1.58c

Keywords: Plant Growth Regulators; Broccoli; antioxidant; biochemical attributes; proximate composition

252



Sequential Molecular Multifunctionalization Through A Lactone Reactivity Gradient Matthew B. Baker, Jonathan Tasseroul, Ashton N. Bartley, Renan B. Ferreira, Andrew J. Lampkins, Alexandre Al Abbas, Khalil A. Abboud, Ion Ghiviriga, Ronald K. Castellano Department of Chemistry, University of Florida, Gainesville, Florida, United States Synthetic access to multifunctionalized architectures with hybrid structures and functions is critical for continued advances in materials science, catalysis, and chemical biology. Described here is the sequential aminolysis of strain- and electronically-coupled lactones as an approach to achieve molecular multifunctionalization efficiently, under mild conditions, and without protecting groups or by-products. The methodology is showcased using two C3h-symmetric trilactones, benzotrifuranone (BTF) and benzotripyranone (BTP). Diverse primary and secondary amines are shown to be effective aminolysis reagents, and chiral amines are accommodated with complete stereochemical fidelity. For BTF, stopped-flow IR measurements reveal an order of magnitude rate difference between the three sequential aminolysis events; this difference is sufficient to obtain low symmetry, differentially functionalized products through one-pot reactions in excellent yield. The structural basis for the stepwise kinetic deactivation of successive lactones has been elucidated through spectroscopic analysis (e.g., NMR, IR) and DFT electronic structure calculations. Keywords: desymmetrization, heterocycles, multifunctionalization, one-pot reaction, organic synthesis, ring strain, straininduced reaction

253



Targeting The Anti-Cancer Warhead: Synthesis Of Porphyrin-Dendron Conjugates For Photodynamic Therapy F. Bryden1, A. Maruani2, M.E.B. Smith2, S. Caddick2, R.W. Boyle1 1

2

Department of Chemistry, University of Hull, Hull, HU6 7RX, UK Department of Chemistry, University College London, London, WC1E 6BT, UK Presenting author: [email protected]

Photodynamic therapy is a promising clinical alternative for the treatment of cancer, which works via the action of a photosensitiser in combination with light of a specific wavelength and molecular oxygen. Selective application of both the photosensitiser and light to tumour tissue allows the cytotoxic effects to be limited to the target tissue only. As a result, photodynamic therapy has few negative side effects in comparison to conventional cancer treatments such as chemotherapy, radiotherapy and surgery. Conjugation to tumour-selective antibodies and antibody fragments is a highly effective method of improving the selective localisation of the photosensitiser; allowing the antibody moiety to act as a targeting group. Conjugation of porphyrins to the numerous lysine residues present on the surface of many antibody fragments has previously been utilised to produce 1 conjugates with an averaged binding ratio of 6:1 capable of complete tumour eradication. However, conjugation in this way leads to limited control over stoichiometry and regioselectivity, and can lead to problems with batch to batch reproducibility. An alternative to this strategy is site-selective conjugation via functional-bridging of antibody interchain disulfide bonds. A full IgG1 antibody contains four interchain disulfide bonds and FAB fragments contain one, allowing functionalisation of full antibodies and FAB fragments with excellent structural and stoichiometric control. Conjugation to these disulfide bridges via the dibromomaleimide functional group allows for facile attachment to antibody fragments in a rapid and bioorthogonal 2 manner. Functionalising the nitrogen of the dibromomaleimide ring allows conjugation of a single porphyrin in a site specific and stoichiometric way, while increased binding ratios can be obtained through attachment of porphyrin-dendron units. Conjugation via this method allows for increased binding ratios, without loss of the precise stoichiometry and control of the site of binding made possible by cysteine conjugation. To date, synthesis of a range of both porphyrins and porphyrin-dendron conjugates has been carried out, with all porphyrins exhibiting retention of spectroscopic characteristics and solubility properties after conjugation. Utilising a clickchemistry strategy, conjugation of water-soluble porphyrins to antibody fragments has been carried out successfully to produce HER2-targeted photosensitiser conjugates, and biological investigation has been conducted to evaluate these products as potential photosensitisers for use in photodynamic therapy. References 1. A. Palumbo, F. Hauler, P. Dziunycz, K. Schwager, A. Soltermann, F. Pretto, C. Alonso, G. F. Hofbauer, R. W. Boyle and D. Neri, Br. J. Cancer, 2011, 104, 1106-1115. 2. F.F. Schumacher, V.A. Sanchania, B. Tolner, Z.V.F. Wright, C.P. Ryan, M.E.B. Smith, J.M. Ward, S. Caddick, C.W.M. Kay, G. Aeppli, K.A. Chester & J.R. Baker, Sci. Rep., 2013, In Press, DOI:10.1038/srep01525. Keywords: Photodynamic therapy, cancer, porphyrin, porphyrin-dendron conjugate, targeted photosensitiser, site specific, stoichiometric, HER2, click chemistry, antibody fragments, disulfide bridges

254



Design And Synthesis Of Polyrotaxanes For Bimodal Imaging Guillaume Vives,1 Wilfried Fredy,1 Valérie Marvaud,1 Bernold Hasenknopf1 1

Institut Parisien de Chimie Moléculaire, UPMC Sorbonne Universités, 4 place Jussieu 75005,Paris, France Presenting author: [email protected]

In the past few years, the diagnosis and understanding of biological processes has triggered a growing interest for the 1 development of new methods for multimodal imaging. In particular, bimodal imaging agents are designed to combine the advantages of two complementary imaging techniques in a single object and overcome the limitations of each technique used alone. One of the most widely used combination is magnetic resonance imaging (MRI) and optical imaging. Actually 2 MRI exhibits a good spatial resolution while fluorescence imaging gives a complementary high sensitivity. 3 In our approach, a supramolecular structure for bimodal imaging based on a polyrotaxane has been designed. The polyrotaxane is based on a water-soluble cationic polymer threaded through α-cyclodextrins (CD) that are functionalized by MRI contrast agents or fluorescent probes (Figure 1). This modular design aims at concentrating complementary contrast agent on a single object in order to improve the sensitivity. Our supramolecular approach presents the advantages of modularity, flexibility and potential biodegradability. Moreover, the use of biocompatible moieties such as cyclodextrins should permit its use for in vivo studies. The selective mono-functionalization of CD by a Gd complex or a Bodipy moiety has been developed. The multistep synthesis of these selectively functionalized CD will be presented, together with detailed studies of their threading onto 4 polyammonium chains to obtain bimodal polyrotaxanes.

Figure 1: Polyrotaxane bearing contrast agent for MRI (green) and fluorescent probe (red) References 1. R. Weissleder, M. J. Pittet, Nature, 2008, 452, 580-589. 2. L. Frullano, T. Meade, J. Biol. Inorg. Chem. 2007, 12, 939–949. 3. S. Loethen, J-M. Kim, D. H. Thompson, Polymer Reviews, 2007, 47, 383-418. 4. W. Fredy, A. Guenet, S. Adam De Beaumais, M. Ménand, M.Sollogoub, V. Marvaud, G. Vives, B. Hasenknopf manuscript in preparation

255



Synthesis And Characterization Of Some New 5-[2, 4-Di (4- Chlorobenzyloxy) Phenyl] 3-(4-Substituted Phenyl)-2-Pyrazolines Farouq E. Hawaiz1, Faiq H. S. Hussein 2 & Hashim J. Azeez3 1&3

2

Chemistry Dept. College of Education, University of Salahadin- Hawler, Erbil -Kurdistan Iraq .

Chemistry Dept. College of Science, University of Salahadin- Hawler, Erbil -Kurdistan -Iraq . e-mail: [email protected]

Abstract The starting material 2,4-dibenzyloxy benzaldehyde (1) has been prepared on the basis of Williamson synthesis of ether, from the reaction of 2,4-dihydroxy benzaldehyde and 4-chlorobenzylchloride. Compound (1) was reacted with different substituted acetophenones using green methods, Ultrasound , Microwave and solvent-free grinding method to give a series of new chalcones (2a-i). The prepared new chalcones were subjected to react with hydrazine hydrate according to the Michael addition reaction to afford new biologically active 2-pyrazoline deivatives (3a-i), Scheme(1). The 1 13 structure of the synthesized compounds were characterized by spectral methods: FT-IR, H-nmr, C-nmr and Mass spectrometry. Cl

O

HO K2CO3

+

OH O

Ethanol, Reflux Cl

O Cl

O Cl

(1) O

Method A: Ultrasound Method B: MW Method: C Grinding R

R

Cl O

Cl O

Hydrazinhydrate

O

Cl

NaOH, Ethanol

O

R N

O

NH

(2a-j) Cl

(3a-j)

R: H, Me, Cl, Br, F, 3,4-diMe, 2-Naphth., BzO, ClBzO Scheme (1)

Keywords: Chalcones, Pyrazoline, Ultrasound, Microwave

256



Designing Sensible Fluorescent Chemosensors For Biological Thiols: A Tale Of Prescribed Selectivity M. Isik1, R. Guliyev2, S. Kolemen1, Y. Altay2, B. Senturk1, T. Tekinay1, E. U. Akkaya1,2. 1

UNAM-National Nanotechnology Research Center, Bilkent University, Ankara, 06800, Turkey 2 Department of Chemistry, Bilkent University, Ankara, 06800, Turkey [email protected]

Fluorescent chemosensor development for biological thiols (Cys:Cysteine, Hcy:Homocysteine, and GSH:Glutathione) is a 1 focus of recent flury of work. However, sensing of these biothiols is not sensible usually, since "serendipitious" signalling is encountered with rough control of some photophysics of signalling chromophores in general. A successful design postulate on the other hand is attained when judicious control of multiple modules is satisfied. In this regard, we have recently published a Cys selective, chromogenic and fluorogenic sensor (a nitroethenyl moiety incorporating BODIPY dye) that can 2 act in the longer wavelength region of the visible spectrum and in aqueous solutions. Our latest work on biothiol sensing 3 comprises an unprecedented selectivity for GSH. The design utilizes spatial constraints of biothiols, and pH as well as the intracellular thiol concentrations through a tight control of ICT and PeT processes for the maximal emission signal. The probe works satisfactorily inside the Human breast adenocarcinoma cells, highlighting GSH distribution in the cytosol. My talk is going to cover these exciting results obtained in our laboratories.

References 1. Chen, X.; Zhou, Y.; Peng, X.; Yoon, J. Chem. Soc. Rev. 2010, 39, 2120. 2. Isik, M.; Ozdemir, T.; Simsek Turan, I.; Kolemen, S.; Akkaya, E. U. Org. Lett. 2013, 15, 216. 3. Isik, M.; Guliyev, R.; Kolemen, S.; Altay, Y.; Senturk, B.; Tekinay, T.; Akkaya, E. U. Angew. Chem. 2013, Submitted. Keywords: Biothiols, Glutathione,Cysteine, BODIPY Dyes, Nitroolefin, Fluorescent Probes

257



Global Structure Optimization Of Cytosine And Guanine DNA Base Oligomers A. Manukyan, A. Tekin. Informatics Institute, Istanbul Technical University, 34469 Maslak Istanbul, Turkey Presenting author: [email protected] Along with Watson-Crick pairing in Helical DNA structures, homo and hetero DNA bases establish tetraplexes and quadruplexes. Moreover, DNA bases could also form planar structures or filaments on metal surfaces (especially gold) [1,2] and these can be used as biochip sensors, semi-conductive or organic photovoltaic tools. Although some examples of MD simulations and STM images exist, global optimization of such oligonucleotides could result in more information on the stabilization of these DNA systems. Heuristic global search algorithm, Simulated Annealing (SA), is considered an effective tool for many scientific fields including theoretical chemistry. In this study, DNA oligomers consisting of cytosine, guanine and cytosine-guanine pairing interactions were globally searched via our SA algorithm and previously developed intermolecular potential energy functions. Our motivation is to find intriguing local and global oligonucleotides to uncover stabilization of telomeric DNA structures and DNA systems on metal surfaces.

Figure 1: Structures of cytosine (on the left) and guanine (on the right) tetrads.

References [1] Erdmann M., David R., Fornof A. R., Gaub. H. E, Nature Chemistry 2, 745 (2010). [2] Otero R., Lukas M., Kelly R. E. A., Xu W., Laegsgaard E., Stensgaard I., Kantorovich L. N., Besenbacher F., Science 319, 312 (2008). Keywords: DNA, RNA, Oligonucleotide, Global Optimization, Simulated Annealing, Supermolecular Calculations, MP2, SCSMP2

258



Computational Modeling Of Actinide Chemistry In Realistic Environments W.A de Jong1, E.J. Bylaska1, S. Odoh1, R. Atta-Fynn2 1

EMSL, Pacific Northwest National Laboratory, 99352, Richland, WA, USA 2 University of Texas at Arlington, 76019, Arlington, TX, USA Presenting author: [email protected]

The development of realistic models describing the dynamical behavior of actinide species interacting with their environment leads to a better understanding of the chemical behavior of actinides, and key in the development effective remediation strategies and ensure safe nuclear processes. Computational chemistry has reached the point where it makes significant contributions to the fundamental understanding of actinide chemistry, and plays an important role in interpretation of experimental data and the prediction of chemical and physical behavior of actinide species in the subsurface. By combining highly scalable heavy-element chemistry software capabilities in NWChem with supercomputing resources we are able to explore the often complex excited state, spectroscopy, and dynamical behavior of actinide species in aqueous environments, incorporated in crystal structures and at mineral interfaces. In our computational models we employ ab initio molecular dynamics techniques and time-dependent density functional theory. We will demonstrate the role of counter ions on the complexation and hydration of aqueous Cm and Th ions was studied using AIMD and metadynamics (Figure 1). Results of simulations probing the structure and EXAFS, as well as thermodynamic properties of actinides in various oxidation states in aqueous solution will be presented. We will also show some results for models of actinide species at complex (reducing) solution-mineral interfaces. Keywords: nuclear, actinide, computational chemistry Figure 1: Free energy profiles of Cm in solution with counter ions.

259



Encapsulation Of Nile Red In Polypyrrole Microvessels D. Kępińska1, K. Kijewska1, M. Mazur.1 1

Department of Chemistry, University of Warsaw, 02-093, Warsaw, Poland Presenting author: [email protected]

Polymeric hollow structures are a popular topic in modern chemistry and materials science because of their potential importance in biomedical applications such as smart drug delivery systems. We report on preparation of polypyrrole microvessels that are capable of encapsulating Nile Red, a solvatochromic dye that serves as a model of lipophilic drugs. Using a range of modern physicochemical methods including electron and optical microscopy, vibrational and fluorescence spectroscopy, and zeta potential measurements, we show that the dye can be encapsulated effectively through chemical polymerization of pyrrole onto p-xylene droplets that contain Nile Red. The fluorophore resides within the organic core of the microvessels but interacts with the polymer wall material (or pyrrole oligomers formed during polymerization) which is manifested as slower rotational dynamics and shorter fluorescence lifetime of the dye in comparison to bulk solvent. We also demonstrate release of the dye to the surrounding solution and show that this process is governed primarily by the miscibility of the organic core (p-xylene) with the external phase (solvent)[1].

Keywords: microcapsules, polypyrrole, template synthesis, chemical polymerization, fluorescent dyes

260



Structural And Thermodynamic Study Of Salycilamide Co-Crystal A.N. Manin, A.P. Voronin, G.L. Perlovich G.A. Krestov Institute of Solution Chemistry of the Russian academy of Sciences, Ivanovo, Russia Presenting author: [email protected] Co-crystals are solids that are crystalline materials composed of two or more molecules in the same crystal lattice. Cocrystals, as pharmaceutical crystals, are mostly attractive as method to achieve the new crystalline forms of active pharmaceutical ingredients (APIs) with improved properties (eg, solubility, thermal stability, etc.) Moreover, co-crystals components selection ability makes as it were “fine-tuning” of the physical properties easier. [1, 2] Co-crystals are a long known but little explored alternative to the traditionally known forms of APIs. Most of co-crystal investigations related with screening techniques and synthesis problems. However, the study of cocrystal molecular lattice thermodynamic has not been conducted. But knowledge of crystal lattice energy of co-crystals could help researchers in investigations of the co-crystal formulation main principles. Our work is devoted to investigation of the co-crystal sublimation process. New co-crystal of 2-hydroxybenzamide (salicylamide) was obtained by slow evaporation technique and solvent-drop grinding method. The co-crystal was analyzed by differential scanning calorimetry (DSC) and single-crystal X-ray diffraction. Dissolution experiments were carried out for salicylamide co-crystal in water (pH 7.4) at 25  0.1 C. Ternary phase diagram of the system API-co-former-ethanol was developed. Temperature dependency of vapor pressure was obtained by flow inert gas-carrier transfer method for salycilamide co-crystal. The thermodynamic functions of sublimation process were estimated on the basis of the experimental results. The sublimation data was compared with crystal lattice energy of the co-crystal components. The sublimation process of the co-crystal was interpreted. It is interest to note that the co-crystal has a similar vapor pressure value to the salicylamide, but its crystal lattice energy value is close to 4-acetamidobenzoic acid. References 1. S.J. Nehm, B. Rodriguez-Spong and N. Rodriguez-Hornedo, Cryst. Growth & Des. 6(2), 592-600 (2006), 2. S. Karki, T. Friščic, W. Jones and W.D.S. Motherwell. Mol. Pharm. 4(3), 347-354 (2007) This work was supported by Project BioSol (2010-1.1-234-069), the federal program for supporting science and innovation (N 02.740.11.0857) and grant of President of the Russian Federation (MK-2309.2013.3) Keywords: co-crystal, sublimation, solubility, screening, NSAIDs, hydrogen bonds, crystal engineering

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Thermodynamic Study on the Complexation of Some Carboxylic and Amino Acids in the Ionic Liquid + Water Media K. Majlesi, S. Rezaienejad. Department of Chemistry, Science and Research Branch, Islamic Azad University, 1477893855, Tehran, Iran Presenting author: [email protected] There are many papers in the literature about various applications of ionic liquids in different branches of chemistry but there are only a few reports about the determination of dissociation and stability constants in the ionic liquid + water medium. Regarding this fact, two viewpoints exist. First of all we can study the solution on the basis of the solvent effect models. The second view is ionic strength contribution and the role of ionic liquid as a supporting electrolyte. Kamlet-Abboud-Taft (KAT) equation has been used for the investigation of solvent effect in the ionic liquid + water medium. It was found that polarizability and hydrogen bonding have the most contributions in the present work for the stability and dissociation constants respectively in various H2O + [bmim]BF4 solutions. The ionic liquid studied in this research is 1-butyl-3-methylimidazolium tetrafluoroborate, [bmim]BF4, which is a well-known ionic liquid with many applications. Although ionic liquids have been considered as sustainable solvents for reaction, extraction or separation purposes in the last decade, there is still a debate about their consideration as green solvents due to the hydrolysis. We have previously reported the complexation of dioxovanadium (V) and molybdenum (VI) with some carboxylic and aminopolycarboxylic acids in different H2O + CH3OH and H2O + [bmim]BF4 media [1-5]. Therefore dissociation constants of D-(-)-quinic acid and glycine and stability constants for the complexation of dioxovanadium (V) with D-(-)-quinic acid have been determined in the current work for different H2O + [bmim]BF4 binary mixtures ranging in concentration from zero to forty percent of [bmim]BF4 at T = 298 K and I = 0.1 mol.dm-3 of sodium chloride. Glycine is one of the non-essential amino acids and is used to help create muscle tissue and convert glucose into energy. It is also essential to maintaining healthy central nervous and digestive systems, and has recently been shown to provide protection via antioxidants from some types of cancer. D-(-)-quinic acid is a versatile chiral starting material for the synthesis of new pharmaceuticals. A new medicament for the treatment of influenza A and B strains called Tamiflu has been successfully developed and launched into the market. UV spectrophotometric and potentiometric methods have been used for all of the measurements. Finally variations of the solvatochromic regression coefficients versus ionic strength were obtained and interpreted on the basis of KAT and extended Debye-Hückel (EDH) models in order to take into account the solvent and ionic strength effects simultaneously. References 1. K. Majlesi and S. Rezaienejad, J. Solution. Chem. In press (2013). 2. K. Majlesi and S. Rezaienejad, J. Solution. Chem. 41, 937 (2012). 3. K. Majlesi and S. Rezaienejad, J. Chem. Eng. Data 56, 3194 (2011). 4. K. Majlesi and S. Rezaienejad, J. Chem. Eng. Data 55, 4491 (2010). 5. K. Majlesi and N. Momeni, J. Chem. Eng. Data 54, 2479 (2009).

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Synthesis And Characterization Of Silver/Chitosan/Gelatin Bionanocomposites By Chemical Reducing Method And Their Antibacterial Activities Mansor Bin Ahmad, Lim Jenn Jye, and Kamyar Shameli Department of Chemistry, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor Malaysia Presenting author: [email protected] The aim of this project is to investigate the functions of polymers and size of nanoparticles on the antibacterial activity of silver bionanocomposites (Ag BNCs). Silver nanoparticles (Ag NPs) were incorporated into biodegradable polymers that are chitosan (Cts), gelatin and both polymers via chemical reduction method in solvent in order to produce Ag BNCs. Silver nitrate and sodium borohydride were employed as a metal precursor and reducing agent respectively. On the other hand, chitosan and gelatin were added as a polymeric matrix and stabilizer. The antibacterial activity of different sizes of silver nanoparticles was investigated against Gram-positive and Gram-negative bacteria by the disk diffusion method using Mueller-Hinton Agar. The properties of Ag BNCs were studied based on function of the polymer weight ratio in relation to the use of chitosan and gelatin. The morphology of the Ag BNCs films and the distribution of the Ag NPs were also characterized using Transmission Electron Microscopy (TEM). The diameters of the Ag NPs were measured and their size is less than 20 nm. The antibacterial trait of silver/chitosan/gelatin bionanocomposites was investigated. The silver ions released from the Ag BNCs and their antibacterial activities were scrutinized. The antibacterial activities of the Ag BNC films were examined against Gram-negative bacteria (E. coli and P. aeruginosa) and Gram-positive (S. aureus and M. luteus) by diffusion method using Muller-Hinton agar. Also, the properties of AgNPs in Cts, Cts/gelatin and gelatin bionanocomposites were studied in terms of their surface plasmon resonance, crystalline structure, topology and functional groups. All the samples were characterized by UV-visible spectroscopy, X-ray diffraction, energy-dispersive X-ray spectroscopy, scanning electron microscopy and fourier transform infrared spectroscopy. Keywords: nanoparticles, antibacterial activity, silver bionanocomposites, chitosan, gelatin

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Applications For Polymer Brushes In Biosensors M. Elizabeth Welch1,2, Nicole L. Ritzert1, Youyong Xu2, Hongjun Chen1, Norah Smith1, Michele E. Tague1, Héctor D. Abruña1, Barbara Baird1, Thomas Doublet3, George Malliaras3, Christopher K. Ober.1,2 1

Department of Chemistry and Chemical Biology, Department of Materials Science & Engineering Cornell University, Ithaca, NY, 14850 USA 3 Centre Microélectronique de Provence, Ecole Nationale Supérieure des Mines de Saint Etienne, Gardanne, 13541 France Presenting author: [email protected] 2

Polymer brushes have many desirable characteristics such as the ability to tether molecules to a substrate, or change the properties of a surface. In the past few years they have garnered much attention for their involvement in microelectronics, nanofluidic devices, biosensing, and other areas of nanotechnology.[1-4] We are investigating several types of biosensors that can be enhanced through the incorporation of polymer brushes. Two examples are given here. The ability to detect selective antibodies is essential for diagnosing infectious diseases. We report an electrochemical detection system based on an antibody catalyzed water oxidation pathway (ACWOP) which takes advantage of the intrinsic ability of the primary antibody to generate hydrogen peroxide when in the presence of singlet oxygen and water.[5] Using a simple solution assay and amplified electrochemical detection, we can measure the H2O2 produced and thus all antibodies that bind to the antigen coated electrode. As a means of amplifying the signal, polymer brushes have been integrated to bind the antibodies to the surface as well as to prevent non-specific adsorption of other antibodies or contaminants that may be present in the test fluid. Because of the ability to tailor the polymer brushes to specific antibodies, a broad range of viruses can be investigated. A second biosensor includes a PEDOT:PSS based microelectrode which Figure 1. Schematic depiction of measures neuronal activities in vivo. This device requires the tethering of immunosensor polymer brush platform glucose oxidase for specific charge exchange reactions to occur between based on the ACWOP. the biological media and the conducting polymer sensor. Our goal is to use polymer brushes as a way of anchoring these molecules to the electrode surface without altering the conductivity of the transistor. References 1. M.A.C. Stuart, W.T.S. Huck, J. Genzer, M. Muller, C. Ober, M. Stamm, G.B. Sukhorukov, I. Szleifer, V. V. Tsukruk, M. Urban, F. Winnik, S. Zauscher, I. Luzinov, and S. Minko, Nat. Mater. 9, 101 (2010). 2. M. Welch, A. Rastogi, C. K. Ober, Soft Matter 7, 297 (2011). 3. E. N. Chiang, R. Dong, C. K. Ober, B. A. Baird, Langmuir 27, 7016 (2011). 4. O. Hollmann, T. Gutberlet, C. Czeslik, Langmuir 23, 1347 (2007). 5. P. Wentworth, P. et al. Science 293, 1806 (2001). Keywords: polymer brushes, biosensors, antibody, detector

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Nanoscale Amphiphilic Macromolecules: Designing Compounds To Inhibit Oxidized Low-Density Lipoprotein Uptake K.E. Uhrich Rutgers University, 07060, Piscataway, USA Presenting author: [email protected] INTRODUCTION Our research group has previously prepared nanoscale amphiphilic macromolecules (AMs) capable of inhibiting oxLDL uptake through competitive inhibition of SRA and CD36 scavenger receptors in IC21 macrophage cells. Comprised of a mucic acid backbone, four aliphatic chains, and a poly(ethylene glycol) (PEG) tail, these biocompatible AMs form nanoscale -7 micelles in aqueous media at relatively low critical micelle concentrations (10 M). In an effort to determine the key structural components necessary for the inhibition of oxLDL, this basic AM structure has been systematically varied to determine the role of PEG chain length and architecture, carboxylic acid location, type and number of anionic charges, and rotational motion of the anionic group. Underexplored, however, is the role hydrophobicity plays on inhibiting oxLDL uptake. Because hydrophobic interactions play a major role in protein-polymer complexation, investigation into their contributions to our AMs binding to macrophage scavenger receptors would aid our understanding of the binding mechanism. Herein, we present the synthesis of nanoscale AMs with varying numbers of aliphatic side chains. Using tartaric and mucic acids as the sugar backbone, polymers bearing two and four aliphatic chains respectively were prepared. The ability of these polymers to inhibit oxLDL uptake in peripheral blood mononuclear cells (PBMC) and coronary artery endothelial cells were explored. CONCLUSION Amphiphilic macromolecules (AMs) of varying hydrophobicity were developed and shown to inhibit oxLDL uptake in macrophages and endothelial cells. Although both macromolecules significantly inhibited uptake, the AM exhibiting a greater number of hydrophobic side chains, M12P5, was more effective. Preliminarily, these indicate that increasing the number of hydrophobic arms on the macromolecule increases the effectiveness of these molecules to inhibit lipoprotein uptake. Additional studies investigating the relative stereochemical orientation of the hydrophobic side chains on lipoprotein uptake ability are currently underway. ACKNOWLEDGMENTS The authors would like to thank Rutgers University and the National Institute of Health (NIH R01 HL107913) for financial support of this research. Keywords: macromolecule, nanoscale, lipoprotein, cholesterol

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Synthesis And Characterization Of Linear Dendritic Copolymers H. Esen1, M. Tülü.2 1

Department of Material and Material Processing, Yalova CommunityCollege, Yalova University, 77100 Yalova, Turkey 2 Chemistry Department, Yildiz University, 34220, Istanbul, Turkey Presenting author: [email protected]

Dendrimers are special class of materials with respect to their molar mass, functional end groups and monodisperse character. Molecular dimensions can grow up to 10-100 nm depending on the generation, g[n]. Dendronized polymers are a class of dendrimer in which linear polymer chains are utilized as core. these materials have gained considerable attention within recent years, thus, detailed literature reviews were published [1-4]. A copolymerizable dendron of second generation synthesized from behera amine was copolymerized with commercial monomers such as styrene, methyl methacrylate and N-vinyl pyrrolidone. Characterization of the copolymer ACTES-MMA was performed and it was found that ACTES was incorporated in the copolymer chain with the help of FT-IR and proton and carbon NMR. Besides, the reactivity ratio pairs of the ACTES monomer with both styrene and n-vinyl pyrrolidone were determined. After experiments and calculations the reactivity ratio pair for styrene and ACTES were found to be rst = 0,27 and rac = 0,44 and for NVP and ACTES rnvp = 0,36 and rac = 1,01. By utilization of the reactivity ratio of ACTES, ”Q” an “e” values were determined in order to be able to draw some conclusions about the reactivity behaviour during copolymerizations. “Q” = 1,152 and “e” = 0,66 were found with respect to styrene as reference. These values indicate the steric effect of ACTEs was more dominant in copolymerizatons.

Figure 1: Copolymerization Diagram of ACTES with styrene and NVP References [1] X. Xiong, Y. Chen, Tailoring dendronized polymers, Chemical Communications, (2010) 5049-5060. [2] H. Frauenrath, Dendronized polymers- building a new bridge from molecules to nanoscopic objects, Prog. Polym. Sci., 30 (2005) 325-384.

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[3] A. Carlmark, C.J. Hawker, A. Hult, M. Malkoch, New methodologies in the construction of dendritic materials, Chem. Soc. Rev., 38 (2009) 352-362. [4] A. Zhang, L. Shu, Z. Bo, D. Schlueter, Dendronized Polymers: Recent Progress in Synthesis, Macromol. Chem. Phys., 204 (2003) 328-339. Keywords: dendronized acrylate, reactivity ratio, dendronized polymer

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Sonocatalysts The Superiority Of Photocatalysts In Wastewater With High Concentrations Of Pollutants Color Mohammad ebrahim olya*, Azam pirkarami Department of Environmental Research,Institute for Color Science and Technology, Tehran,Iran ,P.O.Box 16765-654 This paper reports an investigation into the effect of a number of operating factors on the removal of Acid Red 88 from an aqueous solution through photocatalysis and sonocatalysis. Experimental results showed for the first time that sonocatalysis is far more effective than photocatalysis in degrading dyes regardless of the circumstances. Ni-TiO2 was used in the solution in -1 suspension in order to achieve a greater surface area. Optimal conditions turned out to be catalyst dosage 0.6mg L , pH ≃ 7, -1 -1 -1 and dye concentration 30 mg L . The COD of the solution substantially declined from 1573 mg L to 59 mg L in photocatalysis -1 and to 34 mg L in sonocatalysis. Catalyst efficiency was evaluated using SEM and XRD techniques. The sonocatalysis process -1 resulted in a removal efficiency of approximately 88% at a dye concentration of 300 mg L and within a pH range of 2-11. In sharp contrast, maximum removal efficiency which was obtainable in the case of photocatalysis was only 28% and within a more limited pH range (3-9) . A specific method was proposed dye degradation.

[1] N.Y. A. MLivnaer, ; N.M. Mahamodi, N.S. Tabrizi, J.Colloid Interface Sci; 288, 371–376; 2005. [2] J. Wang, Y.Y. Zhang, Y, Guo, L, Zhang, R. Xu, Z.Q. Xing, S.X. Wang, X.D. Zhang, Dyes Pigments.; 80, 271–278; 2009.

Keywords: sonocatalysts, photocatalysts, Ni-TiO2, acid red 88, wastewater

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Colloidal Quantum Dot Light-Emitting Diodes Seonghoon Lee Department of Chemistry, Seoul National University, 151-747, Seoul, Korea Presenting author: [email protected] Highly bright, low-voltage driven colloidal quantum dot based R/G/B (RGB-QLEDs) or white light-emitting devices (white-QLEDs) for the next generation were realized in terms of the direct exciton formation within quantum dot active -2 layers in a polymer-quantum dot hybrid. White-QLEDs exhibiting luminance of 500 ~ 5,000 cd m at applied bias below 6 V and external quantum efficiency of 1% have been successfully realized with single mixed QD active layer upon the hybrid device structure, and their practicable everyday applications to traffic signals, display back-lights and white illumination sources are exemplified. Red, green, and blue QLEDs with external efficiency of 7.3, 5.8, and 1.7%, respectively, were demonstrated. The present research demonstrates a breakthrough in the device performance (a two to three-fold increase in efficiency and a 10-fold increase in brightness) enabled by the device structural engineering and also provides rational understanding on the device operation for deliberate designing of high performance white-QLEDs towards practicable realization.

Figure 1: Red/Green/Blue Colloidal Quantum Dot Light-Emitting Diodes, Red, Green, and Blue Quantum Dot Light-Emitting Diodes(QLEDs) with external efficiency of 7.3, 5.8, and 1.7%, respectively. The Green QLED is the brightest ever measured, producing 2 218,8000 cd/m . References 1. W. K. Bae, J. Kwak, J. Lim, D. Lee, M. K. Nam, K. Char, C. Lee, and Seonghoon Lee, Nano Letters, 10 (7), 2368 (2010). 2. J. Kwak, W. K. Bae, D. Lee, I. Park, J. Lim, M. Park, H. Cho, H.Woo, D. Y. Yoon, K. Char, Seonghoon Lee, and C. Lee, Nano Letters, 12 (5), 2362 (2012). 3. W. K. Bae, J. Kwak, J. Park, C. Lee, K. Char, and Seonghoon Lee, Adv. Mat. 21, 1690 (2009). 4. J. Lim, W. K. Bae, K. U. Park, L. zur Borg, R. Zentel, Seonghoon Lee, and K. Char, Chem. Mater. ASAP, (2013) Keywords: Quantum dot, Exciton, Semiconductor, Electroluminescence

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Porous Covalent Organic Polymers For Co2 Capture And Separation S. H. Je,1 H. Patel,1 A. Coskun.1,2 1

Graduate School of Energy, Environment, Water and Sustainability (EEWS) and 2Department of Chemistry, Korea Advanced Institute of Science and Technology, 305-701, Daejeon, Republic of Korea Presenting author: [email protected]

CO2 discharge into the atmosphere has risen with the increasing consumption of fossil fuels, adversely affecting the fight against global warming.[1] CO2 scrubbing by ethanolic aqueous amines is yet to be challenged as a practical solution.[2]. Porous solids offer reversible capture/release and safe operations at high temperatures, while retaining their structural integrity, and thermal and chemical stability, in addition to their gas selectivity. Most existing porous materials, however, suffer from water instability, not to mention the difficulty to tune their structures or the lack of sustainable synthesis, owing to the use of rare earth catalysts. We have recently discovered [3] water stable, azo-bridged, nitrogen-rich, aromatic, nanoporous covalent organic polymers (azo-COPs) which can be synthesized by catalyst-free direct coupling of aromatic nitro and amine moieties under basic conditions. Unlike other porous materials, azo-COPs exhibit an unprecedented increase in CO2/N2 selectivity with rise in temperature, while reaching to the highest value (288 at 323 K) reported to date. We observed that azo groups reject N2, in other words making the framework “N2-phobic”. In addition, we have also established structural design principles for azo-COPs and demonstrated that increasing the π-surface area of the polymer further enhances its CO2 selectivity. Our simulations suggest that the origin of N2-phobicity of the azo-group is the entropic loss of N2 gas molecules upon binding. We believe that any gas separations which require the efficient exclusion of N2 gas would do well to employ azo units in the sorbent chemistry. References 1. D. DÀlessandro, B. Smith and J. R. Long, Angew. Chem. Int. Ed. 49, 6058-6082 (2010). 2. G. T. Rochelle, Science 325, 1652-1654 (2009). 3. H. A. Patel, S. H. Je, J. Park, D. P. Chen, Y. Jung, C. T. Yavuz and A. Coskun, Nature Commun., DOI: 10.1038/ncomms2359 (2013). Keywords: Porous Polymers, Nanoporous, Carbon Dioxide, Nitrogen Phobicity

Figure. The azo linkages (blue) in the porous polymers reject gaseous nitrogen, while selectively trapping carbon dioxide

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Comparative Study Of The Potential Of Renewable Energy Sources Between Turkey And Poland S. Savci1, T. Cholewa2 1

Bozok University, Engineering Architecture Faculty, Biosystems Engineering Department, 66100, Yozgat. Turkey 2 Lublin University of Technology, Faculty of Environmental Engineering Nadbystrzycka 40B,20-618 Lublin, Poland Presenting author:[email protected]

Abstract

Renewable energy is accepted as an important source for the future, not only for Turkey and Poland but also for the world. This paper compares the potential of renewable energy sources in Turkey and Poland. Poland is the largest hard coal producer in the European Union. On the other hand, more than half of Polish green electricity is produced by throwing biomass. Apart from biomass, wind is powering much of the growth in the renewable energy sector. Meanwhile, Turkey has dynamic economic development and rapid population growth. It has a tremendously high level of renewable energy sources that can be a part of the total energy network in the country. Mainly, hydropower, biomass, geothermal, solar and wind energy should be considered. This article presents a review of potential utilization of the renewable energy sources in the two countries and also investigating the environmental effects of them. Keywords: Renewable energy sources, Turkey, Poland Table 1: Overview of Turkey and Poland [3,4] Area Population Population density Renewable energy production Geothermal Hydro power Solar/wind/other Total energy production

Unit 2 km million 2 Person/km

Turkey 783.562 74.5 97

Poland 312.679 38.1 122

Mtoe Mtoe Mtoe Mtoe

0.98 5.37 1.05 39.94

0.094 0.188 0.094 14.0

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[Zn(8-hydroxyquinoline)2]Bentonite : A Sensor Film for Dissolved Oxygen N. Chuekuna1, A. Wongchaisuwat 2, L.Meesuk2 1 2

PTT Research and Technology Institute, Wungnoi, Phranakornsriayuthaya 13170, Thailand Department of Chemistry, Faculty of Science, Kasetsart university, Bangkok 10900, Thailand Presenting author: [email protected]

In this research, an intercalation compound [Zn(8-hydroxyquinoline)2] or Znq2 was prepared in the interlayer space of Ca-bentonite by the in situ solid-solid reaction between 8hydroxyquinoline and Zn(II)-bentonite. The intercalation of Znq2 and the complex formation between Zn(II) and 8-hydroxyquinoline in bentonite were confirmed by powder X-ray diffraction, elemental analysis, thermogravimetric analysis and Fourier Transform Infrared Spectroscopy. The study of fluorescence property showed that Znq2-bentonite gave good fluorescence intensity at around 503 nanometer when excited by 420 nanometer light. To fabricate a sensor film for dissolved oxygen (DO) measurement, Znq2-bentonite was immobilized in 2 different polymers, polystyrene in toluene and KE200/CX200 silicone before coating on a polystyrene substrate. Both sensor films responded to dissolved oxygen by fluorescence quenching process giving linear Stern-Volmer plots up to 60% DO. The KE200/CX200 silicone polymer immobilized Znq2-bentonite sensor film showed sensitivity better than polystyrene immobilized Znq2-bentonite. In addition, the use of KE200/CX200 silicone polymer immobilized Znq2-bentonite sensor film showed the effect of water temperature on the fluorescence intensities. The sensitivity of sensor decreased as the water temperature increased which can be classified to the static quenching.



Figure 1: The fluorescence intensity of Znq2-bentonite with different percentage of DO

References 1. N.Chuekuna, A.Wongchaisuwat and L. Meesuk, J. Phys. Chem. Solids. 71(4),423-42 (2010). 2. N.Khaorapapong and M. Ogawa, Appl. Clay Sci. 35, 31(2007). 3. J.R.Lakowicz, “Principle of Fluorescence Spectroscopy”, 3rd ed. Springer Science &Business Media, Singapore (2006).

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Pursuance Of Functionalized Titania Nano Particles On Morphology And Gas Permeation Of Stand Alone Cellulose Acetate Membrane Sarah Hafeez, Arshad Hussain, M.Mujahid SCME, NUST (National University of Sciences and Technology), 44000, Islamabad, Pakistan. Email: [email protected] Membrane technology offers great potential for its application in variety of industries from water filtration to gas separations [1]. This promising technology has number of advantages over other technologies such as low energy requirement, smaller foot print, low capital and operation cost, environment friendly [2-6] and flexibility in handling of higher flow rate, pressure and various feed compositions [7]. Asymmetric organic – inorganic hybrid membranes for gas separation are synthesized using dry-wet phase inversion technique by dispersing functionalized Titania nano particles in cellulose acetate and acetone, where as functionalization of Titania nano particles is done prior blending. These membranes are fabricated by solution blending procedure. In first step of membrane synthesis, CA and acetone are mixed to form CA solution and then different concentrations of functionalized Titania nano particles are added to the casting solution. In second step, membranes are gelled and dipped in hot water. In third step, membranes are dried by multi stage solvent exchange method. The pursuance of functionalized Titania nano particles on the morphology of blended membranes and uniform distribution of above mentioned nano particles are analysed by scanning electron microscopy (SEM, JSM 6409A, Jeol Japan). AFM, JSPM-5200 is used to study the impact of increasing functionalized nano particles’ concentration on the surface roughness of fabricated membranes. FTIR and XRD analysis are also done for further characterization study of membranes. The synthesized hybrid membranes with different functionalized Titania nano particles concentrations are utilized to separate CO2/CH4 gases. Separation performance of membranes will be tested in proposed gas permeation rig. Pure feed gases are taken at 28 ˚C and at pressure difference of 0.4 MPa. The entire system was placed in a temperature- controlled chamber with air circulation to maintain the temperature in order to prevent condensation of water in the membrane module. A flat type membrane module was employed in permeation rig. The fabrication, characterization of CAfunctionalized Titania nano particles membranes and permeability of above mentioned gases through these membranes are measured and studied thoroughly in this research work. References [1] O. K.Senhadji, S. Bey, G. Clarizia, L. Mansouri and M. Benamor, Sep. Purif. Technol. 80, 38-44 (2011). [2] R.I. Berry, Chem. Eng. 88, 63-67 (1981). [3] R.W. Spillman and M.B. Sherwin,Chem. Technol. 20, 378–408 (1990). [4] S.A. Stern, J. Membr. Sci. 94, 1–65 (1994). [5] M. Mulder, Basic principles of membrane technology, Kluwer Academic Publisher, Netharlands, 1996. [6] H. Strathman, J. Membr. Sci. 9, 121–189 (1981). [7] S.A. Stern and B.D. Bhide, J. Membr. Sci.81, 209-237 (1993). Keywords: cellulose acetate, titania, gas permeation, co2/ ch4

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Comparative Evaluation Of Urease Inhibitor To Control Urea Losses Munazzah Meraj1, Rao Irfan2, Sadia Javed3, Asad Meraj4, M. Daud Ali Alvi5, Khalil-urRehman6, Gulam Mashoori2 1Department of Biochemistry, Peoples University of Medical and Health Sciences for women, 67450, Nawabshah, Pakistan 2 Department of Pharmacology, Peoples University of Medical and Health Sciences for women, 67450, Nawabshah, Pakistan 3 Department of Chemistry, Government College University, 38000, Faisalabad, Pakistan 4 Department of Mathematics, COMSATS institute of information technology, 57000, Sahiwal, Pakistan 5 National Fertilizer Corporation, 38000, Faisalabad, Pakistan 6 Department of chemistry, Agriculture University Faisalabad, 38000, Faisalabad, Pakistan Corresponding Author E.mail: [email protected] Urea is the major nitrogenous fertilizer in Pakistan bear high losses in terms of ammonia volatilization. The problem causes one side the huge national loss of nitrogenous resources and on the other side the loss of crop yield due to the lack of nutrients. When urea is applied to the soil, nitrogen loss occurs due to ammonia volatilization on account of rapid hydrolysis of urea to ammonia by the action of enzyme urease. This study was carried out to minimize ammonia losses under laboratory conditions by using different urease inhibitors. Soil samples were collected from Cotton and Rice farms of Department of Crop Physiology, University of Agriculture Faisalabad, Pakistan. The urea, urea + ammonium thiosulfate (ATS), urea + sodium thiosulfate (STS) and urea + mixture (ATS + STS + Boric acid) were individually applied on soil surface. Ammonia loss from soil surface was measured and the experimental data was analyzed statistically. When only urea was applied maximum ammonia loss was observed during 8-10 days of urea application, after that nitrogen loss was decreased with passage of time. The pattern of ammonia losses was similar when urea was applied with other urease inhibitors like urea + ammonium thiosulfate (ATS), urea + sodium thiosulfate (STS) and urea + mixture (ATS + STS + Boric acid) except that there was marked reduction in ammonia loss. Urea + ATS reduce nitrogen loss in cotton and rice soil 24.45% and 24.87% respectively. When urea + ST was applied in cotton and rice soil it reduced nitrogen loss 25.13% and 25.35% respectively. The combination of these inhibitors with urea reduced ammonia loss in cotton 21.4% and 21.77% in rice soil. The results of this research work are encouraging enough. It is a fruitful step towards control of urea loss as well as control the environmental pollution of ammonia. Key words: fertilizer, ammonium thiosulfate, sodium thiosulfate, ammonia loss, urese inhibitors

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Synthesis Of Biologically Active Compounds Modified With Carborane Pharmacophore.

Agnieszka B. Olejniczak1, Magdalena Białek-Pietras2, Anna Adamska2, Mirosława Studzinska2, Edyta Paradowska2, Agnieszka Jabłonska2, Patrycja Suski2, Zbigniew Leśnikowski2* 1 Screening Laboratory,3a Tylna St., 2Laboratory of Molecular Virology and Biological Chemistry, 106 Lodowa St., Institute of Medical Biology, Lodz, Poland Presenting author: [email protected] Carboranes such as dicarba-closo-dodecaboranes (C2B10H12) are boron cage systems in which one or more carbon atoms are an integral part of the electron-delocalized framework. The properties of carboranes include high boron contents, bioorthogonality, lipophilicity or amphiphilicity, rigid spherical or ellipsoidal shape, chemical stability and resistance to catabolism [1]. These properties have been utilized in medicinal chemistry among others for construction of boron carriers for boron neutron capture therapy (BNCT) of tumors. More recently, carboranes are extensively studied as hydrophobic pharmacophores or modulators of biologically active molecules [2,3]. In this communication several general methods developed in our Laboratories for the synthesis of new carborane/nucleoside conjugates, carborane/cholesterol conjugates [4] as well as modification of clinically used antiviral drugs (Fig. 1) will be presented. The target compounds were obtained in e.g. Sonogashira reaction, „click chemistry” approach based on Huisgen type 1,3-dipolar cycloaddition, dioxane ring opening in oxonium derivatives of boron clusters, and others. Figure 1: Examples of biologically active compounds modified with carborane cluster: a-acyclovir, b-oseltamivir, c-ribavirin. The effect of the modification on the physicochemical properties of the obtained conjugates as well as preliminary study on their cytotoxicity and activity against viruses such as HCMV, HSV-1, HPIV-1, EMCV and VSV will be also briefly discussed.

References 1. R. F. Barth, J. A. Coderre, M. G. H. Vicente, Clin. Cancer. Res. 11, 3987 (2005). 2. F. Issa, M. Kassiou, L. M. Rendina, Chem. Rev. 111, 5701 (2011). 3. Z. J. Lesnikowski, Boron Sciences. New technologies and Applications, Hosmane, N.S., Ed.; CRC Press., 2011; Boca Raton, FL, pp 3-19. 4. M. Białek-Pietras, A. B. Olejniczak, S. Tachikawa, H. Nakamura, Z. J. Lesnikowski, Bioorg. Med. Chem. 21, 1136 (2013). Acknowledgments This work was supported by the European Regional Development Fund under the Operation Program Innovative Economy, grant POIG.01.01.02-10-107/09. Keywords: boron clusters, carboranes, nucleosides, acyclovir, gancyclovir, ribavirin,

275



Measurement Of Alpha-Dicarbonyl Compounds From Sugar Autoxidation Glen D Lawrence1, Rahime Iclal Birtek2, Swathi Manne1 1 Department of Chemistry and Biochemistry, Long Island University, Brooklyn, NY USA 2 Environmental Engineering Department, Istanbul Technological University, Istanbul, Turkey

Monosaccharides, particularly fructose, are very susceptible to autoxidation and produce an array of toxic oxidation products, including formaldehyde, glyoxal, methyl glyoxal, 3-deoxyglucosone, glucosone and other reactive aldehydes. These reactive degradation products are responsible for the browning of fruits and other foods upon exposure to air and cause glycation of proteins (advanced glycation endproducts, AGE) in the body. The large increase in consumption of sugars worldwide has produced an obesity epidemic in many developed countries, which has lead to a wide range of other health problems, such as type 2 diabetes, hypertension, hypertriglyceridemia, and metabolic syndrome. These adverse health problems appear to be associated with the large increase in consumption of sugars, especially high fructose corn syrup in the United States, but are probably also associated with sucrose consumption in other parts of the world. The autoxidation of sugars is strongly promoted by phosphate and transition metal ions, such as iron, copper and vanadium. We have developed a simple, reliable method for measuring the profile of alpha-dicarbonyl products under a variety of conditions in order to better understand the mechanisms involved in sugar autoxidation, which may lead to measures to help minimize these undesirable degradation reactions, both in foods and in the body. Keywords: alpha-dicarbonyls, sugar autoxidation, metal catalysis, fructose

276



Nanoparticles, Leaf Cutting Ants Control And Environmental Toxicity João B. Fernandes1, Rodrigo O. S. Kitamura1, Moacir R. Forim1, Odair C. Bueno2, Marisa N. Fernandes3, M. Fátima G. F. da Silva1, Paulo C. Vieira1. 1 Chemistry Department - Universidade Federal de São Carlos, 13565-905 São Carlos - SP, Brazil; 2Centre of Social insects study, Universidade Estadual Paulista, 13506-900 Rio Claro SP, Brazil; 3Physiologic Science Department - Universidade Federal de São Carlos, 13565-905 São Carlos - SP, Brazil. Presenting author: [email protected]. Different methods and new strategies to control leaf cutting ant nests have been requested, such as natural products and they nano or microencapsulated, since Leaf-cutting ants, Atta sexdens rubropilosa, are known as a serious pest for agriculture due to the high amounts of vegetal matter used as substrate for the symbiotic fungus development. There is a symbiosis between the fungus and leaf-cutting ants and the control of ant nests could be done by use of insecticide and or eliminating the fungus. Nanocapsule or nanosphere could be obtained from organic materials, including biodegradables such as poly-ɛcaprolactone (PCL), and from oxide of metal (for example titanium dioxide) and they have vast applications, including paint, toothpaste, UV protection, photocatalysis, photovoltaics, sensing, electrochromics, as well as photochromics. Nano and microencapsulation of natural compounds can lead to expansion of their activity, since encapsulation may increase the stability of the compounds and release them in the active center, allowing determining the mechanism of action and of interaction between insects and fungus. The toxicity for the environment caused by the active compounds and the nanocapsule constituents should not exist or to be below the toxic concentration. Fishes are used to determine these toxicities, as well as the place of toxic action. The present study aimed to perform the incorporation of crisofanol in nanoparticles that is a promising approach to effectively control leaf-cutting ant nests and the effect of nanocapsule to the environment. The development and validation of a specific analytical method using HPLC for quantification of the crisofanol in biodegradable polymeric nanoparticles is presented here. The polymeric matrix applied was poly-ɛ-caprolactone (PCL). The validation was performed by using a reverse-phase -1 Nucleosil C18 column, a mobile phase consisting of THF:MeOH 7:3 (v/v), flow rate of 1.0 mL min and UV-vis detector at 257 nm. The method has been applied in quality control program to develop new selective nanoformulations loaded with crisofanol, which should be used in environmentally friendly program to control leaf-cutting ants. The higher encapsulation efficiency found in nanocapsules and nanospheres were 98.5% and 92.3%, respectively. The absolute recovery of crisofanol in colloidal suspensions was nearly 100%. These studies were accompanied by test of insecticide and fungicide activity using methodology described by the authors and showed growth of these activities for the crisofanol nanocapsulated in PCL. As a model to determine the toxicity of nanocapsule, primarily it was used titanium dioxide (TiO2) and the freshwater fish, Prochilodus lineatus that presented an increase of total reactive oxidant species in the gills after chronic exposure while no change occurred in the liver. The activity of carbonic anidrase increased in the gills and also the mean histopathological value and the histopathological index. All these changes showed that the TiO 2 cause discrete deleterious effect in the gills. FAPESP, CNPq, CAPES, INCT-CBIP Keywords: Nanoparticles, Leaf cutting ants, Environmental toxicity

277



Synthesis, Spectral, İn Vitro Anti-Proliferative Activity, DNA Binding And Cleavage Studies Of İsatin Thiosemicarbazones Derivatives Amna Qasem Ali, Teoh Siang Guan, Abdussalam Salhin Mohamed School of chemical science, USM,Penang,Malaysia Abstract New derivatives of thiosemicarbazone Schiff base with isatin moiety (1-6) were synthesized and their structures were 1 13 assigned on the basis of elemental analysis, IR, H NMR, C NMR and mass spectral data. The Schiff base 6 was also characterized by single crystal-ray study. The interaction of these compounds with calf thymus (CT) DNA exhibited high 5 -1 4 -1 intrinsic binding constant (kb = 5.03 - 33.00 x10 M ) for 1, 2, 3 and 4 and (6.14 – 9.47 x 10 M ) for 5 and 6 which reflect intercalative activity of these compounds toward CT-DNA. This result was also confirmed by viscosity data. The electrophoresis studies reveal the higher cleavage activity of 1, 2 and 3 than 4, 5 and 6 and that is may be due to the effect of phenyl ring in thiosemicarbazide side. The in vitro anti-proliferative activity of these compounds against human colon cancer cell line (HCT 116) revealed that, the synthesized compounds (L 3, L6 and L2) exhibited good antioxidant activity.

Keywords: Thiosemicarbazone, isatin moiety, CT DNA binding, DNA cleavage, in vitro anti - proliferative activity

278



Novel Micro- And Mesoporous Composites Of Silica Aerogel With A Metal Organic Framework Z. Ulker1, I. Erucar1, S. Keskin1, C. Erkey1 1

Chemical and Biological Engineering, Koç University, Istanbul, Turkey Presenting author: [email protected]

The absence of a definite shape and possible mass transport limitations due to narrow pore size ranges limiting the application areas of the metal organic frameworks (MOF) led researchers to prepare new MOFs with larger pore sizes [1,2]. In this study, a novel micro- and mesoporous composite of silica aerogel with Cu-BTC as the model MOF was prepared to overcome these limitations following a slightly modified version of the conventional two step sol-gel method where CuBTC was added to the initial reaction mixture. Final supercritical drying step prevented the collapse of the pores so that the composites kept the microporosity of the Cu-BTC and the mesoporosity of the silica aerogel. The synthesized material was obtained in monolithic form with a homogeneously distributed blue color coming from the well dispersed microporous domains of Cu-BTC (Figure 1). Cu-BTC content ranged from 5 to 30 weight percent and the total surface area of the composites ranged from 1025 to 1138 2 m /g. Nitrogen adsorption experiments confirmed the presence of both micro and mesopores while XRD analysis showed that Cu-BTC retained its crystal structure in the composite during the process. Furthermore, a model was developed to predict the nitrogen adsorption isotherms for the composite using the experimentally obtained pure component isotherms for the silica aerogel, theoretically obtained isotherm for Cu-BTC and the weight fractions of the components within the composite. Successful predictions of this model could be used to predict the adsorptive properties of the similar composites to determine the best combinations prior to experimental observations. References: Figure 1: 1. Lohe, M.R., M. Rose, and S. Kaskel. Chem Commun, 2009(40). 2. Wang, X.-S., et al. J. Am. Chem. Soc., 2006. 128(51): p. 16474-16475.

Silica Aerogel Cu-BTC composite

279



Effects Of Sol-Gel Parameters On Physical Properties Of Silica Aerogels Metin Karayılan1, Can Erkey1 1

Chemical and Biological Engineering Department, Koc University, 34450 Sariyer, Istanbul, Turkey Presenting author: [email protected]

The fossil fuel reserves have been rapidly depleting and green house gases have been incrementally released. Although new and environment friendly energy sources are required to overcome these problems, effective thermal insulation technologies are promising options which can reduce energy consumption rates significantly in many broad areas. Accordingly, there is a need to develop materials with enhanced thermal insulation characteristics, e.g. low overall thermal conductivity; λt (W/m.K). Silica aerogels are synthesized by sol-gel route and dried with supercritical CO2 (ScCO2) which is one of the crucial ways to eliminate capillary pressure arising from surface tension in meso pores (p=(2γcosθ)/r; p:capillary pressure, γ: surface tension, θ:wetting angle, r:pore radius). Such small pores (between 2 and 50 nm) in amorphous silica structure provide special thermal properties and transparency brings innovative design. Thermal and optical properties are investigated by Hot Disk Transient Plane Source and UV/VIS spectrophotometer with integrating sphere, respectively. To have higher transparency and better thermal properties, synthesis parameters have been studied.

Figure 1: Temperature profiles Figure 2: Total and diffuse transmittances References 1. Yoldas, B. E., Annen, M. J. and Bostaph, J., ‘Chemical engineering of aerogel morphology formed under nonsupercritical conditions for thermal insulation’, Chemistry of Materials, 12, (2000). 2. Dorcheh, A. S., Abbasi, M. H., ‘Silica aerogel; synthesis, properties and characterization’, Journal of Materials Processing Technology, 199, (2008). Keywords: Silica aerogel, thermal properties, optical properties, vacuum insulation panels

280



Fabrication of Self-Healing Composite Nanofibers via Core-Shell Electrospinning for Load Bearing Applications B. Saner Okan1, J. S. M. Zanjani2, M. Yıldız2, Y. Z. Menceloglu2 1

Sabanci University Nanotechnology Research and Application Center, SUNUM, Tuzla, Istanbul 34956, Turkey 2 Faculty of Engineering and Natural Sciences, Sabanci University, Tuzla, Istanbul 34956, Turkey Presenting author: [email protected] Self-healing fibers are a class of smart materials which have self-repairing capability without external intervention. If structural polymers are subjected to continuous load and stress, cracks occur in the structure and thus mechanical degradation starts. Therefore, self-healing materials are developed to stabilize the mechanical integrity of the structure. These materials automatically repair the damaged area and show resistance to external interventions. Autonomic repair mechanism is achieved by the incorporation of a microcapsulated healing agent (monomer) and Grubbs’ catalyst in epoxy matrix [1]. However, polymeric microcapsules generally suffer from low strength shell walls, large size distribution and uncontrolled release of capsule contents. In contrast to microcapsules, fibers provide chemical compatibility and structural integrity [2]. Our previous work showed that as single walled electrospun fibers are embedded in epoxy matrix, mechanical properties of these composites considerably improve [3].

Figure 1: Scanning electron microscope image of poly(styrene-co-glycidyl methacrylate) electrospun nanofiber In this work, triaxial core-shell nanofibers are fabricated by multi-axial electrospinning technique and a healing catalyst is deposited on the surface of catalysts. Multi-axial electrospinning set-up provides the coverage of self-healing agent with two different polymeric walls in one-step process. The wall solutions are immiscible during the electrospinning process in order to prevent non-ordered fiber formation. Therefore, core-shell electrospinning provides the fabrication of multi-axial electrospun nanofibers in higher quality and in high structural integrity. References 1. S. R. White, et. al. Nature 409, 794 (2001). 2. S. Kumar, Self-healing Materials: Fundamentals, Design Strategies and Applications, (Germany, Verlag GmbH & Co. KGaA, Winheim, 2009). 3. E. Ozden, Y. Z. Menceloglu, and M. Papila, ACS Appl. Mater. Inter. 2, 1788 (2010). Keywords: electrospinning, core/shell nanofibers, self-healing, nanocomposite

281



Porphyrin-Based Nanomaterials for Sensing and Memory Applications S. Ishihara1, J. P. Hill1, Jan Labuta1, K. Ariga1 International Center for Materials Nanoarchitectonics, National Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan. Presenting author: [email protected]

Porphyrin and its related compounds are fascinating building blocks for advanced functional nanomaterials due to their opto-electric, magnetic, catalytic, and self-assembling properties. In my presentation, I will present the recent progress on 1 2,3 the development of porphyrin-based nanomaterials available for water sensing, chiral sensing, and photo-driven 4 nonvolatile molecular memory . Detail properties and mechanisms will be discussed on the basis of various physicochemical measurements.

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Figure 1: (a) Water sensor by oxoporphyrinogens. (b) Chiral sensing by porphyrins, (c) Photo-driven nonvolatile molecular memory based on porphyrin derivative.

References: 1. S. Ishihara, J. Labuta, T. Šikorský, J. Burda, N. Okamoto, H. Abe, K. Ariga, J. P. Hill, Chem. Commun.48, 3933 (2012). 2. J. Labuta, S. Ishihara, A. Shundo, S. Arai, S. Takeoka, K. Ariga, J. P. Hill,.Chem. Eur. J. 17, 3558 (2011). 3. A. Shundo, J. Labuta, J. P. Hill, S. Ishihara, K. Ariga, J. Am. Chem. Soc. 131, 9494 (2009). 4. S. Ishihara, J. P. Hill, A. Shundo, G. J. Richards, J. Labuta, K. Ohkubo, S. Fukuzumi, A. Sato, M. R. J. Elsegood, S. J. Teat, K. Ariga, J. Am. Chem. Soc. 133, 16119 (2011).

282



Molecular Modeling of ZIF Membranes For Co2 Capture G. Yilmaz1 and S. Keskin1 1

Koc University, 34450, Istanbul, Turkey Presenting author: [email protected]

Separation of CO2 has significant industrial, economic, environmental and social importance. Design and development of robust materials that can exhibit high performance in CO2 capture applications has gained much more importance in recent years due to the increased global warming resulted from high CO2 emissions.[1] Nanoporous materials have been widely used for adsorption and membrane-based CO2 separation applications. Zeolite imidazolate frameworks (ZIFs) are a new group of nanoporous materials that show very promising performance in CO2 capture compared to traditional materials such as zeolites and polymers.[2] ZIFs are composed of tetrahedral networks that resemble those of zeolites with transition metals bridged by imidazolate ligands. Hundreds of ZIFs have been synthesized in the past five years and the challenge is to identify the most promising ZIF materials to use in CO2 separation applications. It is not practical to test every single material in the lab scale in a meaningful time scale, therefore using computational tools to screen a huge number of ZIFs and identify the highly CO2 selective ZIFs is the best approach. We specifically focused on CO2 capture from CO2/CH4 and CO2/H2 mixture since these separations are important for hydrogen recovery applications in refineries and for natural gas purification. In this work, we examined CO2 separation performance of various ZIFs as adsorbents and membranes using detailed molecular simulations. Grand-canonical Monte Carlo (GCMC) simulations were used to compute single-component and mixture (CO2/CH4, CO2/H2) adsorption amounts.[3] We then used equilibrium molecular dynamics (EMD) simulations to determine membrane-based separation performance of ZIFs. Adsorption-based separation of CO2 from CO2/H2 and CO2/CH4 mixtures were calculated based on the results of GCMC simulations. At 1 bar and room temperature, CO2/H2 selectivity of ZIF-1, ZIF-2, ZIF-3, ZIF-4, ZIF-6 and ZIF-10 was calculated as 416, 175, 117, 460, 37, and 29, respectively. High CO2 selectivity of ZIF-1 and ZIF-4 was attributed to the pore sizes of these materials. ZIF-1 and ZIF-4 have smaller pore sizes which provide stronger confinement of CO2 molecules compared to H2 molecules. Based on these high selectivity values, we can conclude that ZIFs are very promising materials for separation of CO2 from CO2/H2 mixtures. Our results showed that CO2 selectivities of ZIFs from CO2/CH4 mixtures (30). This is due to the competitive adsorption between CO2 and CH4 molecules raised from energetic and entropic effects. ZIFs still exhibit higher CO2 selectivities from CO2/CH4 mixtures compared to other nanoporous materials such as zeolites due to their high affinity for CO2. Finally, we showed that ZIFs are more promising in adsorption-based separation of CO2 compared to the membrane-based separation since the diffusion effects decreases the CO2 selectivity in the latter. This work was supported by TUBITAK Grant 111M314. References 1. S. Keskin, T.M. van Heest, D. Sholl ChemSusChem 3, 879 (2010). 2. H. Hayashi, A.P. Cote, H. Furukawa, M.O’Keeffe, O.M. Yaghi, Nat. Mater. 6, 501, (2007). Keywords: molecular simulations, materials, CO2 capture,

283



Peo Based Puu-Silica Nanocomposites: Effect Of Filler Size On Molecular Mobility, Soft Segment Crystallinity And Mechanical Strength O. Oguz1, O. Malay1, C. Kosak2, E. Yilgor2, I. Yilgor2 and Y. Z. Menceloglu1 1

Advanced Composites and Polymer Processing Laboratory, Faculty of Engineering and Natural Sciences, Sabanci University, Tuzla 34956, Istanbul, Turkey, 2 Surface Science and Technology Center, Chemistry Department, Koc University, Sariyer 34450, Istanbul, Turkey Presenting author: [email protected]

Recently, silica filled polyurethaneureas (PUUs) have gained much interest due to their advanced properties, which arise from the unique interfacial characteristics of their main components. Hence, understanding of the synergetic effect of silica filler on the mechanical performance of PUU/silica nanocomposites is quite important. In this study, we mainly focused on the effect of silica filler size on the molecular mobility, soft segment crystallinity and mechanical strength in a series of poly(ethylene oxide) (PEO) (Mn=4600 g/mol) based PUU-silica nanocomposites prepared by solution casting. PUU was based on a cycloaliphatic diisocyanate (HMDI) and had a hard segment content of 30% by weight. Silica nanoparticles with 25, 75 and 240 nm hydrodynamic diameter were used to obtain PUU/silica nanocomposites with a constant filler concentration of 20% by weight. Homogeneous filler dispersion in the nanocomposites was proved by Scanning Electron Microscopy (SEM) studies. Fourier Transform Infrared Spectroscopy (FT-IR) was used to observe the intermolecular interaction between silica and PUU. In addition, tensile properties of the nanocomposites were determined by stress-strain analyses. For the nanocomposite having 25 nm silica particles, the tensile strength is lower than the one with 75 nm at the same filler concentrations. This result is unexpected since the tensile strength of a composite generally increases with a decrease in filler size. Differential Scanning Calorimetry (DSC) was employed to study the effect of silica filler size on the glass transition, crystallization and immobilization of the PEO soft segments, in detail. Although glass transition temperature did not change by the addition of silica with different sizes, DSC results clearly showed that the filler size was critical on the thermal properties of the nanocomposites, due to significant changes in the PEO soft segment crystallinity and rigid to amorphous phase ratio. As it will be discussed in the conference, strong interaction between PEO soft segments and silica surfaces, which are observed by Atomic Force Microscope (AFM) respectively, influence the PEO crystallinity, polymer morphology and overall properties of the PUU nanocomposites. Keywords: polyurethanes, silica, nanocomposites, crystallinity,

284



Synthesis And Characterization Of Polyimide-Silica Hybrid Materials Containing Phenylphosphine Oxide Group C.Kızılkaya1, M.Biçen1, S.Karataş1,A.Güngör1 1

Department of Chemistry, Marmara University, 34722, Göztepe / Istanbul, Turkey Presenting author: [email protected]

Polyimides (PIs) containing phosphine oxide groups are of great interest due to their excellent high flame retarding as well as very good mechanical characteristics. PI/silica materials offer favorable properties in high performance applications [1]. The present study aims to improve not only thermal and mechanical properties of polymers by incorporating the phosphine oxide group but also gas separation performance (i.e. permeability). In this work, bis (3-aminophenyl)phenylphosphine oxide (BAPPO) and bis (3-aminophenoxy-4-phenyl) phenylphosphine oxide (m-BAPPO) were synthesized. The 1 characterization was performed by FTIR, H-NMR spectroscopies. Different polyamic acid solutions (PAAs) were prepared. Copolyimide films were prepared by thermal imidization. Hybrid materials containing 5% SiO2 were synthesized by sol-gel technique. TGA, DSC, limiting oxygen index (LOI), SEM analyses, tensile stress-strain and contact angle measurements were done. The permeability test for O2, N2 and CO2 gases was also determined. The slight increase in contact angle values of hybrid materials was observed. Polyimide-silica hybrid materials showed better mechanical properties. Also, they can be good candidates for a single gas permeation (i.e.N2). The tensile modulus (in GPa) of polymers presented herein are higher than those mentioned in literature [2]. The studies regarding nano particles filled PI hybrids are being improved.

References 1. Karataş, S.; Apohan, N.K.; Demirer, H.; Güngör, A., Poly.Adv.Tech 18.,(2007), 490-496. 2. Lua, A.C.; Shen, Y., Chemical Engineering Journal 220, (2013), 441-451. Keywords: polyimide, sol-gel, hybrid material, phosphine oxide

285



Synthesis And Characterization Of Polyimides Containing Modified Carbon Nanotubes S.Türker1, M.Biçen1,S.Karataş1, N.Kayaman Apohan1 1

Department of Chemistry, Marmara University, 34722, Göztepe / Istanbul, Turkey Presenting author: [email protected]

The polyimides (PI) are high-performance polymers due to their excellent thermal stability and mechanical properties. Carbon nanotubes (CNTs) are one of the most attractive nanoscale fillers because of their high aspect ratio and the combination of excellent thermal, mechanical and electrical properties. Transferring the superior properties of CNTs to PI matrix can be realized by fabricating PI nanocomposites with uniform dispersion [1]. Electrospun fibers have attracted great attention due to their use in conductive fibers, filtration membranes, water purification, and tissue engineering scaffolds [2]. In this study, multiwalled CNTs modified with the acid mixture (H2SO4:HNO3) and diamine were characterized by apperant density test and SEM. They were added to polyamic acid which was prepared by reacting diamine and dianhydride (i.e. ODA, BTDA etc.). PI nanocomposite fibers containing CNTs can be produced by electrospinning and thermal imidization.

References 1. Chen, D.; Liu, T.; Zhou, X.; Tjiu, W.C.; Hou, H., J.Phys.Chem. B 113, (2009), 9741-9748. 2. Arai, T.; Kawakami, H., Polymer 53, (2012), 2217-2222. Keywords: nanofiber, electrospinning, carbon nanotube, nanocomposite

286



Preparation Of Hybrid Nonocomposites Based On Acrylic Matrix, Silesquioxane Sequences, Titania And Ag/Au Nanoparticles A. L. Chibac1, V. Melinte1, T. Buruiana1, E. C. Buruiana1 1

Petru Poni Institute of Macromolecular Chemistry, 41A Grigore Ghica Voda Alley, 700487, Iasi, Romania Presenting author: [email protected]

The UV curing of (meth)acrylate derivatives represents a subject of great interest for modern (nano)technologies due to the various advantages of this photoprocess: low cost, high curing rate at room temperature, ecofriendly features [1,2]. On the other hand, extensive researches are devoted towards the development of hybrid organic–inorganic nanocomposites that combine the advantages of organic polymers (flexibility, good impact resistance, high processability) with those manifested by the inorganic materials (high mechanical strength, rigidity, good chemical resistance, enhanced thermal stability and particularly, optical properties) [3]. An interesting method for obtaining such hybrid materials is the combination of the photopolymerization process with the sol–gel reaction and the in situ synthesis of noble metal nanoparticles into a polymer matrix. In the present study we describe the preparation of sol–gel hybrid composites containing TiO2 nanoparticles through photopolymerization of urethane oligodimethacrylate, 3-(acryloiloxy)-2-hidroxypropyl methacrylate, titanium butoxide and silyl derivative 3-(trimethoxysilyl)propyl methacrylate, taken in various gravimetric ratios. The last two compounds can undergo hydrolysis/condensation reactions in air, at room temperature, for a predetermined period of time. The photobehavior of different formulations was studied by FTIR spectroscopy and photoDSC technique, in presence of photoinitiator (Irgacure 819). The final hybrid films were optically transparent, the transparency being evidence that the organic–inorganic phase separation is in the scale of smaller than 400 nm. The presence of TiO2 nanoparticles in the polymer matrix is also confirmed by UV-Vis spectrum, the samples having a strong absorption at a wavelength around 400 nm. Furthermore, in some formulations, silver or gold precusor (AgNO3/AuBr3) was incorporated before photopolymerization, in order to achieve sol–gel materials doped with silver/gold nanoparticles. The formation of silver/gold nanoparticles through the reduction process of silver/gold ions in the presence of the Irgacure 819 was studied by UV-Vis spectroscopy. In this regard, the absorption peak originating from the surface plasmon resonance of silver nanoparticles appeared in the range of 410-440 nm, while for the gold nanoparticles this parameter is around 520–540 nm. The presence of silver/gold nanoparticle is confirmed by the color of the resultant composites films (brown or purple), TEM and X-ray analysis. Acknowledgements This work was financially supported by CNCSIS-UEFISCDI, project number PN-II-ID-PCE-2011-3-0164 (40/5.10.2011). References 1. Y. Yagci, S. Jockusch, N. J. Turro, Macromolecules 43, 6245 (2010). 2. A. Chibac, V. Melinte, T. Buruiana, L. Balan, E. C. Buruiana, Chem. Eng. J. 200-202, 577 (2012). 3. Y. Yagci, J. Coat. Technol. Res. 9, 125 (2012). Keywords: photopolymerization process, sol-gel nanocomposites, noble metal nanoparticles

287



Intercalation And Exfoliation Of Sodium Layered Silicates C. T. G. V. M. T. Pires1, C. Airoldi.1 1

Institute of Chemistry, University of Campinas, UNICAMP, P.O. Box 6154, 13084-971 Campinas, SP, Brazil Presenting author: [email protected]

Layered materials can be modified by diverse ways to improve their properties. Among possible modifications there are isomorphic substitutions, intercalations, polarization and exfoliations or delaminations. Delaminated materiais present high specific surface área with good accesscibilit to reactive sites. Ilerite and magadiite layered silicates were synthesized by hydrothermal treatment, [1,2] and both structures were intercalated and exfoliated by different pathways, through one or two steps. Cetiltrimethylamonium bromide (CTAB) and Tetrabuthylamonium hydroxide (TBAOH) were used as swelling agent. Ultrasound treatment at room temperature was employed for exfoliation at intercalated materials or directly at the sodium materials in the presence of swelling agents. The obtained materials were characterized by several thecniques, such as X-ray diffraction (XRD), infrared absorption spectroscopy with fourrier transform (FTIR), transmission electron microscopy (TEM) and elemental analysis. Some results obtained by XRD are shown at Figure 1. The patterns obtained for sodium layered materials (curves a and b) confirm the achievement of magadiite and ilerite structures respectively, presenting all diffraction peaks. The CTAB intercalation leads to the basal space increase, as verified by the 001 peak displacement to lower angles (curves c and d). High ordered materials were found, which are reflected by the very high peak intensities. The exfoliated magadiite, shown at curve e, almost do not present diffraction signals bellow 10 2degrees, indicating at least some partial exfoliation success. TEM confirmed a not total high exfoliation degree, with smaller and thinner particles. FTIR and elemental analysis are in agreement with all modifications performed. Preliminary tests indicate good cation sorption capacities for the exfoliated materials. 001

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288



Advances In Size Characterization Of Synthetic Polymers G. Bondoux1, J-M Plankeele1, E.S. Bouvier2, B. A. Alden2, 1

Waters European Headquarters,78280, Guyancourt, France Country 2 Waters Corporation, 01757, Milford, MA, USA Presenting author: [email protected]

Size-based separation of synthetic polymers was first introduced 50 years ago with the introduction of the Styragel® product line. These styrene-divinylbenzene packing materials afforded the high pore volume and pore size distribution necessary for high selectivity, but suffered from poor mechanical stability. Low flow rates and large particles were thus required, which resulted in long run times and poor chromatographic efficiency. From that time, evolutions have taken place in the column and instrument design (smaller particles, shorter columns), without touching the heart of the column, which remains in most cases a copolymer, with intrinsic limitations in term of particle size, maximum back pressure, and overall fragility. Today, most of the separations are still done on 250 or 300 mm length columns. Regarding biopolymers, the last few years have seen substantial improvements in both chromatographic columns and instrumentation that have enabled faster and more efficient size-based separations of. Small particle, high pore volume bridged-ethyl hybrid particles combined with low dispersion chromatographic instrumentation have resulted in almost a 10-fold reduction in run time without sacrificing resolution. Recently, the potential of this approach has been extended to separations of synthetic polymers [1-3] using very low dispersion chromatographic systems in combination with high pore volume inorganic/organic hybrid materials ranging in pore size from 50Å to 450Å. This new column technology, based on rigid sub-3 μm, high pore volume bridged-ethyl hybrid particles, provides significant gains in stability and faster separations. This is a major change from the soft gel columns that are susceptible to swelling in the solvents used for polymer analysis. In this work, we will further characterize synthetic polymer separations using this new approach The usable molecular weight range for each of the pore size materials will be compared to commercially available SEC columns of similar pore size. In addition, the impact of surface modifications on separation of broad classes of polymers will be demonstrated using both organic and aqueous mobile phases. The quality of results will be evaluated for samples of different polydispersity. References 1. E. Uliyanchenko, P. J. Schoenmakers, and S. van der Wal, J. Chromatogr. A 1218 (2011) 1509–1518. 2. E. Uliyanchenko, S. van der Wal, and P. J. Schoenmaker, J. Chromatogr. A 1218 (2011) 6930–6942. 3. E. Uliyanchenko, P. J. C. H. Cools, S. van der Wal, and P. J. Schoenmakers, Anal. Chem. 84 (2012) 7802–7809. Keywords: Polymers, GPC, SEC, hybrid materials, rigid particles

289



Modern anti-injector fouling additives for diesel fuels Leszek Ziemianski, Grazyna Zak, Michal Wojtasik, Zbigniew Stepien, Department of Additives and New Chemical Technologies, Oil and Gas Institute, Lubicz 25A, 31-503 Kraków, Poland Department for Performance Testing, Oil and Gas Institute, Lubicz 25A, 31-503 Kraków, Poland

The injector deposit formation problem in Diesel engines is presented, especially in HSDI type (High Speed Direct Injection) engines. The low thermo-oxidative stability, low cetane number, high aromatics content, the high content of unsaturated organic compounds such as olefins, too high density and viscosity, and the high sulfur content mainly affect the fuel tendency to form varnishes and carbon deposits. The production of diesel fuel with a low tendency to form sediments and carbon deposits is associated with high costs. A cost-effective solution of this problem is the use of appropriately selected substances possessing detergent-dispersant properties. The changing requirements for fuels and modern Diesel engines (high pressure direct fuel injection sequence implemented by means of a third-generation common-rail system) necessitate the use of new solutions for these types of additives. The best properties of diesel detergent, is possible to obtain through the use of synthetic organic compounds with a defined structure. Due to this they have a high polarity which provides them the properties of a detergent on one hand, and on the other hand enables adhesion to metal surfaces. The mechanism of operation of the above mentioned substances is complicated and depends on the generation of a protective layer on the metal surfaces, thereby preventing the formation of deposit precursors. The effectiveness of these substances depends not only on the polarity or nitrogen content but also on suitable thermal stability ensuring operational efficiency at high temperatures. The selected engine test results of base fuels and fuels treated by new generation additives will be the subject of the presentation. The engine tests were carried out in the current test CEC F-23-01 (ref. to WWFC 2006) in the Peugeot XUD 9 engine as well as in HSDI engines with common rail fuel injection: FORD 2.0i 16V Duratorq TDCi and FPT Fiat 2.0 JTD engines. Keywords: detergent additives, diesel fuel, engine test

290



Semi-Empirical Model For Direct Methanol Fuel Cells Y. H. Chung, A. Mehmood. Department of Chemistry, Hallym University, 200-702, Chuncheon, Korea Presenting author: [email protected] Direct methanol fuel cells (DMFCs) have been studied due mainly to a cleaner power device using methanol of high energy intensity. Their performance has been observed to be affected by various conditions such as diffusion layer thickness, methanol concentration and feed rate, and temperature in addition to electrode catalysts. Several mathematical models have been proposed to describe DMFCs [1-3]. A semi-empirical model has been examined to explain performance of DMFCs in terms of diffusion layer thicknesses of anodes and cathodes, methanol feed rate and temperature. Results showed a reasonable agreement between the model and the experimental data, implying that it could be used to find optimal operating conditions in the future.

References 1. T. Z. Yan and T. Jen, Int. J. of Heat and Mass Transfer 51, 1192 (2008). 2. A. Casalegno and R. Marchesi, J. Power Sources 175, 372 (2008). 3. W. W. Yang and T. S. Zhao, Electrochimica Acta 52, 6125 (2007). Keywords: direct methanol fuel cell, diffusion layer thickness, anode, cathode, semi-empirical model

291



Determination Of Kinetic Parameters On Bınary And Ternary Pt Based Electrocatalysts For Oxygen Reduction Reaction N.E.Şahin1, Teko W. Napporn2,Jean-Michel Léger2, Figen Kadırgan3 1

Istanbul Technical University, Institute of Science and Technology, Nano-science and Nano-engineering Programme, Istanbul, 34840, Turkey 2 Institut de Chimie des Milieux et Matériaux de Poitiers (IC2MP) UMR 7285 CNRS - Université de Poitiers, Poitiers, France 3 Istanbul Technical University, Chemistry Department, Istanbul, 34840, Turkey Presenting author: [email protected] This work discusses the electocatalysis of the oxygen reduction reaction (ORR) on ultra-thin porous coating rotating ring disk electrodes (RRDE) formed by nanosized Pt/C, PtNi/C, and PtNiCo/C electrocatalysts synthesized via microwave assisted polyol reduction process [1,2]. RRDE was used to determine the oxygen reduction kinetics and the fraction of peroxide formation during the oxygen reduction rection in 0.1M HClO4. As seen in Fig.1 PtNi/C and PtNiCo/C exhibited superior electrocatalytic mass activity and change current density with respect to Pt/C. Also, it was evaluated in a clearly way how 2 the intrinsic properties of electrocatalysts such as, the mass activity (mA/mgPt), the spesific activity (μA/cm Pt),the exchange current densityand the reaction rate constant [3,4]. The electrochemical results bring out that the value of transferred electrons during the oxygen reduction is 3.97, while H2O2 formation is smaller than 3% observing. X-ray diffraction (XRD), high resolution transmission electron microscopy (HR-TEM), and thermal gravimetric analysis (TGA) were employed in order to investigate the morphology and structural parameters of the electrocatalysts in question. References 1. E. Lebégue, S. Baranton,C.Coutanceau, J. Power Sources,196, 920(2011). 2. M. Tsuji, M. Hashimoto, Y. Nishizawa. M.Kubokawa, T.Tsuji, Chem. Eur. J. 11, 440(2005). 3. N. Alanso-Vante, Chem. Phys. Chem. 11, 1 (2010). 4. U.A. Paulus, T.J. Schmidt, H.A.Gasteiger, R.J.Behm, J Electroanal Chem, 495, 134(2001). Keywords: Fuel cells, oxygen reduction, platinum, electrocatalysis

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Vectorial Design of Supramolecular Dyes and Enhanced Performance of TiO2 Solar Cells H. E. Toma, A. L. A. Parussulo, K.Araki Instituto de Quimica, Universidade de Sao Paulo, Sao Paulo, SP, Brazil Presenting author: [email protected] Porphyrins and ruthenium complexes are versatile building blocks for the assembly of supramolecular systems displaying usual performance as active elements in electrocatalytic and photoelectrochemical devices [1]. Their electronic properties are exceptionally favorable in order to perform vectorial electron or energy transfer, and this aspect has been successfully explored in our Laboratory for the design of supramolecular dye solar cells (DSC) [2]. In this presentation we are focusing on the role of the peripheral ruthenium polypyridine complexes in supramolecular porphyrin systems, as light harvesting elements capable of promoting efficient vectorial transfer and improving the performance of DSC. This strategy allowed a sevenfold enhancement of the DSC efficiency in the case of the meso-4carboxyphenyl,tri(4-pyridyl)porphyrin dye containing three [Ru(dmbpy)2Cl] complexes (dmbpy = 4,4’-dimethyl-2,2’-bipyridine, coordinated at peripheral pyridine sites (Figure 1). Figure 1. Vectorial transfer in a supramolecular porphyrin dye In addition, we have also investigated the chargeseparation effects in the supramolecular dyes, by varying the length of the bridging ligands (BL), in the series of complexes 2+ [Ru(dcbH2)2Cl(BL)Ru(dmbpy)2(Cl)] where LB = 4,4´bipyridine (1), trans-4,4´bipyridyethylene (2) and trans-1,4-bis[2-(4pyridyl)ethenyl]benzene (3), and dcb = dicarboxybipyridine. An improved DSC efficiency has been observed along the series ( = 2.78, 2.89, 3.25) ascribed to the decrease of the electrode-dye electron-transfer recombination rates, due to the increase in the charge-separation distances. (FAPESP 2009/08485-6)

References 1. H. E. Toma and K. Araki, Progr. Inorg. Chem., 56, 379 (2009) 2. A. L. Parussulo, B. A. Iglesias, H. E. Toma and K. Araki, Chem. Commun. 48, 6939

(2012).

Keywords: Supramolecular porphyrins Photoelectrochemistry Vectorial Transfer

293



A Simple Sterategy For Improving Mechanical Characterisitcs Of Carbon Nanotube-Epoxy Composite Through Functionalization Of Carbon Nanotubes By Epoxy Chains 1

Ehsan Moaseri1, Behnaz Bazubandi1, Majid Karimi2, Majid Baniadam1, Morteza Maghrebi1 Chemical Engineering Department, Engineering Faculty, Ferdowsi University Of Mashhad, Mashhad, Iran 2 Chemical Engineering Department, Quchan Institute Of Engineering And Technology, Quchan, Iran Presenting Author: [email protected]

A simple strategy was implemented for functionalization of multiwall carbon nanotubes (MWCNTs) by diglycidyl ether of bisphenol A (DGEBA) to enhance the dispersibility and hereby compatibility of MWCNTs in the epoxy matrix. Figure 1 schematically illustrates the functionalization procedure. As it can be seen, MWCNTs were firstly functionalized by ethylenediamine (EDA) to generate amine moieties on their surface. Then, these amine moieties reacted with oxirane rings of DGEBA chains to fulfill the functionalization of MWCNTs by DGEBA. Functionalization of MWCNTs was characterized qualitatively by Fourier transform infrared spectroscopy (FT-IR) and quantitatively using thermogravimetric analysis (TGA). Morphology studies were also performed using scanning electron microscope to investigate the dispersibility of MWCNTs in the epoxy matrix. Moreover, the mechanical properties of MWCNT-epoxy composites were assessed to evaluate the effect of grafted DGEBA chains on compatibility of MWCNTs with epoxy resin. The characteristics of DGEBA chains were detected on FT-IR spectra of functionalized-MWCNTs and the functionalization degree was also calculated from the weight loss percentage in TGA. SEM observations revealed that the dispersibility of functionalized MWCNTs has notably increased compared to pristine MWCNTs. This better dispersibility and compatibility of functionalized MWCNTs led to considerable improvements in mechanical properties of composites. Compared to pristine MWCNT-epoxy, composite reinforced by functionalized MWCNT represent more than 55% increase in tensile strength values. Young's modulus also experienced similar improvements (70%) after functionalization of MWCNTs by DGEBA chains. These enhancements in mechanical characteristics of MWCNT-epoxy composites can be attributed to robust mechanical interlocking between MWCNTs and epoxy matrix. Grafted DGEBA chains on MWCNTs are able to react with the hardner of epoxy matrix and consequently covalently bind the MWCNTs to the matrix.

Figure 1: Schematic diagram of functionalization of MWCNTs by DGEBA Keywords: Nanocomposite, Carbon nanotube, Functionalization, Mechanical properties

294



Stability And Performance Of Nanostructured Electrodes For Solid Oxide Fuel Cells Fatih Dogan, Aligul Buyukaksoy, Ayhan Sarikaya, Vladimir Petrovsky Department of Materials Science and Engineering, Missouri University of Science and Technology, Rolla, MO, USA Solid oxide fuel cells (SOFCs) are promising energy conversion devices due to their environment friendly operation with relatively high efficiencies (~60%). High power densities and stability upon interruption of fuel supply are required to realize the applications of the SOFC technology. The two main approaches for SOFC fabrication, namely; co-sintering of powders and infiltration of catalytically active components into porous scaffolds are described. It is stressed that the fabrication technique determines the performance of the SOFCs. Co-sintering of powders allow achieving high power densities while infiltration technique yields SOFC that show no performance degradation upon fuel interruption. As an example of these research efforts, an electrolyte supported SOFC prepared with Ni-infiltrated anode showed a power density of ∼0.315 Watt.cm−2 and a highly redox stable anode (reduction of power density less than 1% after 15 redox cycles) in humidified forming gas (10%H2–90%Ar).

Current density-voltage curve of the SOFCs prepared by the co-sintering approach. Anode pore structures are formed upon removal of flake graphite (a) and PMMA (b) pore formers.

Sarikaya A, Petrovsky V, Dogan F (2012) Effect of anode microstructure on the enhanced performance of solid oxide fuel cells. Int J Hydrogen Energy 37:11370-11377. Buyukaksoy A, Petrovsky V, Dogan F (2012) Stability and performance of solid oxide fuel cells with nanocomposite electrodes J Electrochem Soc 159:B666-B669. Keywords: SOFC Solid Oxide Fuel Cells Nanostructured Electrodes Redox Stability Power Density

295



Synchrotron Study Of The Charge-Discharge Process Of Li/S Batteries J.-F. Colin1, S. Walus1, C. Barchasz1, J.-F. Martin1, E. Elkaïm2, J.-C. Leprêtre3, F. Alloin.3 1

French Atomic Energy and Alternative Energy Agency (CEA-LITEN), 38054 Grenoble, France 2 Synchrotron SOLEIL, 91190 Saint Aubin, France 3 Laboratoire d’Electrochimie et Physicochimie des Matériaux et Interfaces (LEPMI), UMR 5279, Grenoble INP-Université de Savoie-Université Joseph Fourier, BP75, 38402 Saint Martin d’Hères,France Presenting author: [email protected] Elemental sulfur is a promising positive electrode material for lithium batteries due to its high theoretical specific capacity, 5 to 10 times higher than for conventional lithium-ion positive electrode materials [1]. The sulfur reduction is a complex multistep electrochemical process that involves different intermediate species [2]. Lithium metal reacts with elemental sulfur (orthorhombic S8) to produce lithium polysulfides of general formula Li2Sn. Along the discharge, the chain length is shortened as the sulfur is being further reduced, until the final product (cubic Li 2S) is obtained. This technology has attracted attention of the electrochemistry community for many years [3]. However, the system still suffers from major drawbacks: low practical capacity and poor cycle life. This poor electrochemical response is mainly related to the lack of knowledge and understanding on the system and limitations. Most particularly, the discharge mechanism still remains unclear. Examples of questions remaining open are the kinetic of the Li2S deposition and the possibility that this deposition also happen on the other electrode, but also the form of redeposited Sulfur after one cycle. Such problematics definitively needs to be further investigated. To answer those questions, the charge-discharge mechanism of a Li/S system was successfully followed at different rates via an operando study by X-Ray diffraction at the CRISTAL beamline of SOLEIL using specially designed pouch cells. We will thus present the results of this study, bringing a new light on this highly debated mechanism.

. Figure 1: Evolution of the diffractogramms along first discharge of Li/S system References 1. B.L. Ellis, K.T. Lee, L.F. Nazar, Chem. Mater., 22, 691-714 (2010) 2. H. Yamin, J. Penciner, A. Gorenshtein, M. Elam, E. Peled, J. Power Sources, 14, 129-134 (1985) 3. R. Rauh, K.M. Abraham, G. Pearson, J. Surprenant, S. Brummer, J. Electrochem. Soc., 126, 523 (1979) Keywords: in situ, Li/S, batteries

296



Chemical Management For Efficient Inorganic-Organic Hybrid Nanostructured Solar Cells Jun Hong Noh1, Tarak N. Mandal1, Sang Il Seok1,2 1 Division of Advanced Materials, Korea Research Institute of Chemical Technology, 141 Gajeong-ro, Yuseong-Gu, Daejeon 305-600, Korea 2 Department of Energy Science, Sungkyunkwan University, Suwon 440-746, Korea Presenting author: [email protected] Recently, semiconductor nanocrystals have been considered as promising candidates for next generation solar cells due to the combination of superior optical properties with the opportunities for inexpensive, solution-based device fabrication. Chemically tuned inorganic-organic hybrid materials, based on CH3NH3(=MA)Pb(I1-xBrx)3 perovskites, have been studied using UV-Vis absorption and X-ray diffraction patterns, and applied to nanostructured solar cells. The lattice parameters and successive band-gap energy (Eg) of MAPb(I1-xBrx)3 were found to have linear relationships with Br content (x). The band-gap engineering brought about by the chemical management of MAPb(I1-xBrx)3 perovskites can be controllably tuned to cover almost the entire visible spectrum, enabling the realization of colourful solar cells. In this presentation, highly efficient solar cells exhibiting 12.3% in a power conversion efficiency of under standard AM 1.5, for the most efficient device, as a result of tunable composition for the light harvester in conjunction with a mesoporous TiO 2 film and a hole conducting polymer will be demonstrated. Keywords: inorganic-organic hybrid nanostructured efficient solar cells

297



Sweet Catalysis – Pseudo Enantiomeric Carbohydrate Ligands In Asymmetric 1,4-Additions F. Albrecht,1 H. Grugel,1 M. M. K. Boysen.1 1 Leibniz University of Hannover, Institute of Organic Chemistry, Hannover, Germany [email protected] Carbohydrates have long been disregarded as starting materials for the design of chiral ligands but recently interest in such ligands for asymmetric metal catalysis has significantly increased.[1] Chiral olefins[2] are excellent tools for Rh(I)-catalysed 1,4-additions of arylboronic acids to enones.[3] We have prepared novel olefin-phosphinite ligands from D-glucose[4a-b] and D-galactose, acting as efficient pseudo enantiomers, giving enantiomeric 1,4-addition products in excellent stereoselectivity.[4c]

Figure 1: Carbohydrate olefin ligands in 1,4-additions. Introduction of heteroaryl groups via 1,4-addition is severely hampered by the lability of heteroaryl boronic acids under aqueous conditions. Using MIDA-boronates,[5] we have successfully achieved heteroaryl in the presence of olefin ligands derived from D-galactose and L-fucose, leading to excellent stereoselectivities.

Figure 2: Heteroaryl MIDA-boronates in 1,4-additions. References

1. a) T. Lehnert, G. Özüduru, H. Grugel, F. Albrecht, S. M. Telligmann, M. M. K. Boysen, Synthesis 2685 (2011); b) M. M. K. Boysen, Chem. Eur. J. 13, 8648 (2007). 2. C. Defieber, H. Grützmacher, E. M. Carreira, Angew. Chem. Int. Ed. 47, 4482 (2008). 3. P. Tian, H.-Q. Dong, G.-Q. Lin, ACS Catal. 2, 95 (2012). 4. a) T. Minuth, M. M. K. Boysen, Org. Lett. 11, 4212 (2009); b) H. Grugel, F. Albrecht, T. Minuth, M. M. K. Boysen, Org. Lett. 14, 3780 (2012). 5. D. M. Knapp, E. P. Gillis, M. D. Burke, J. Am. Chem. Soc. 131, 6961 (2009).

Keywords: asymmetric catalysis, ligand design, 1,4-addition reactions, carbohydrates

298



Design And Straightforward Synthesis Of Novel Phosphorus Ligands For Challenging And Asymmetric Cross-Coupling Reactions Run Under Greener Reactions Conditions Oleg M. Demchuk, K. Kielar and K. Michal Pietrusiewicz Department of Organic Chemistry, Maria Curie-Sklodowska University, 33-Gliniana Street, 20-614 Lublin, Poland Presenting [email protected] The spectacular achievements of modern synthetic organic chemistry were made recently in a field of transition metal mediated catalysis. Thus, it the strongest positive impact on the well-being of humankind had been undoubtedly confirmed by multiple Nobel Prize nominations in chemistry in years 2001, 2005, 2007, 2010. In fact, transition metal catalyzed syntheses instantly found wide industrial applications; also as a rule, they satisfy the hardest requirements of Green chemistry. Herein we intend to demonstrate that new catalysts, based on transition metal complexes of novel, rationally designed, easily available in a large scale and prepared by straightforward, high yielding, 3-step modular approach phosphines, could be efficient enough to promote difficult asymmetric couplings run under "greener" reactions conditions: at low temperature and low catalyst loading, in an open flask in water and with no inert gas protection, but furnishing products in high yields and ees [1, 2]

Figure 1: The ligands pattern. Obtained inexpensive, scalemic, air-stable but electronically reach, bulky but highly efficient C,P- ligands were converted into the structurally different transition metal complexes. The details of study of their structural and chemical properties as well as utilization in the asymmetric cross-coupling reactions, C-H activation and asymmetric hydrogenation reactions run in environmentally beneficial conditions will be discussed.

299



Electrophile-Catalysed Cascade Cyclisations Of Geranyl Sulfonamide And Carbamate Derivatives M.YILDIRIM1, H.KARAKUŞ1, D.W.KNIGHT2 1

Department of Chemistry, Faculty of Arts&Sciences, Abant İzzet Baysal University, TR-14280, Bolu, TURKEY 2 School of Chemistry, Cardiff University, Main College, Cardiff, CF10 3AT, UK Presenting author: [email protected]

Cascade reactions contains many synthetic transformations in one step operation. Either designed or serendipitous examples have attracted the attention of organic chemists in total synthesis of many natural products e.g. progesterone, tropinone, hirsutene[1]. Cascade cyclisation reactions may follow nucleophilic, electrophilic, radical-mediated, pericyclic, and transition-metal-catalyzed processes. Electrophile-driven cascade cyclisations are viable for the efficient formation of polycyclic structures. Strong acids such as triflic acid, sulfuric acid or electrophiles are excellent catalysts for inducing electrophilic cascades[2]. In our work, the cyclisation of homoallylic sulfonamides and carbamates underwent via 5-endo-dig mechanism to give substituted polyhydroindoles. In many experiments, N-tosyl and methyl ester substituted polyhydroindole derivatives were formed in good yields when exposed to strong acid or electrophiles (iodine, iodine monobromide) in very mild conditions. In addition, the cascade reactions we have done are very similar to those found in terpene biosynthesis.

Figure 1: Synthetic routes for the synthesis of polyhyroindoles by electrophilic cascade cyclisations References 1. a) R. Robinson, J. Chem. Soc. Trans. 762-768 (1917). b) W.S. Johnson, M.B. Gravestock, B.E.McCarry, J.Am.Chem. Soc. 93, 4332-4334 (1971). c) D.P. Curran, D.M. Rakiewicz, J. Am. Chem. Soc. 107,1448-1449 (1985). 2. a) C.M. Haskins, D.W. Knight, Chem. Commun., 3162–3164 (2005). b) M.Amjad, D.W. Knight, Tetrahedron Lett., 47, 2825–2828 (2006).

Keywords: iodocyclisation, geraniol, natural products, indole, 5-endo dig

300



Use Of Enantiomerization Property Of Axially Chiral Compounds Sajid Jahangir* and Marvi Jabbar Department of Chemistry, Faculty of Science, Federal Urdu University of Arts, Science and Technology Gulshan-e-Iqbal, Karachi 75300, Pakistan *Corresponding Author; E-Mail: [email protected] We have worked on several Axial Chiral compounds [1] which can interconvert (enantiomerization) into their enantiomers at room temperature. Normally enantiomerization is considered as disadvantageous and a bad property of Axial Chiral compounds as it results in the formation of recemate from pure enantiomer. We have a hypothesis that this property of Axial Chiral compounds can be used to control and perform for number tasks. For example if we link some task with the selective release of an enantiomer of Axial Chiral compound. Then enantiomerization property of Axial Chiral compounds can be used. For example if only one pure +ve enantiomer is placed in a system which requires the selective release of -ve enantiomer. In this case as soon as +ve enantiomer will be converted to -ve enantiomer the system will utilize the newly formed -ve enantiomer.

Figure 1 : Bisquinoline-2-ones 1–4 [1] Reference: 1.

2.

Uray, S Jahangir, WMF Fabian; Journal of Chromatography A 1217 (7), 1017-1023

Keywords: Axial Chiral, Enantiomerization, recemate, enantiomer, hypothesis

301



Noncovalent Interactions Of Aromatic Molecules S. D. Zarid1,2, G. V. Janjid3, D. Sredojevid1, D. Veljkovid1, J. Andrid1, D. Ninkovid1, D. Vojislavljavid1, P. Petrovid1 1

2

Department of Chemistry, University of Belgrade, 11000 Belgrade, Serbia Department of Chemistry, Texas A & M University at Qatar, P.O. Box 23874, Doha, Qatar 3 ICTM, Department of Chemistry, University of Belgrade, 11000 Belgrade, Serbia Presenting author: [email protected] Noncovalent interactions of aromatic molecules are very important for molecular recognition in all molecular systems. Analyzing geometrical parameters in the crystal structures from Cambridge Structural Database and Protein Data Bank and using quantum chemical calculations we characterized several types of noncovalent interactions with systems. Most of the studies stacking interactions consider organic aromatic molecules, however, other planar molecules and fragments can also be involved in stacking interactions. It has been observed that planar chelate rings with delocalized -bonds can be involved in noncovalent interactions in a manner similar to that of organic aromatic rings. Both CH/ and stacking interactions with chelate rings were observed. Analysis of geometrical parameters in the crystal structure of square-planar complexes from Cambridge Structural Database showed phenyl-chelate and chelate-chelate stacking interactions [1]. Study of the interactions between water and C 6-aromatic rings revealed the existence of conformations where the water molecule or one of its O-H bonds is parallel to the aromatic ring plane. We calculated the strongest energies for the water position with the large horizontal displacements, out of the aromatic ring and out of the C-H bond region. The calculated energies of the interactions are significant, up to ΔECCSD(T)(limit)= -2.45 kcal/mol (at horizontal displacement of 2.6 Å), and comparable with the energy of slipped-parallel benzene/benzene dimer [2]. Our resent result on the interactions of two benzene molecules in the parallel orientation has shown that in the crystal structures preferred parallel benzene/benzene interactions at large offsets were observed and not at the lowest calculated energy with offset of 1.5-2.0 Å. From the calculations we obtained significant interaction energy of about -2.0 kcal/mol (71% of the strongest interaction energy) for the large offsets of 3.5-5.0 Å [3]. Parallel interactions at the large offsets were also observed and interaction energies stronger than -2.0 kcal/mol for pyridine/pyridine and benzene/pyridine systems were calculated [4].

References 1. D. N. Sredojevid, Z. D. Tomid, S, D. Zarid, Cryst. Growth Des. 10, 3901 (2010). 2. G. V. Janjid, D. Ž. Veljkovid, S. D. Zarid, Cryst. Growth Des. 11, 2680 (2011). 3. D. B. Ninkovid, G. V. Janjid, D. Ž. Veljkovid, D N. Sredojevid, S. D. Zarid, ChemPhysChem, 12, 3511 (2011). 4. Dragan B. Ninkovid, Jelena M. Andrid, and Snežana D. Zarid, ChemPhysChem, 14, 237 (2013). Keywords: Ab initio calculations, Cambridge Stuctural Database, aromatic, noncovalent interactions, stacking interactions

302



Delivering Drug Molecules Via Cucurbiturils D. Karataş1, A. Tekin2 1

Istanbul Technical University Mining Engineering Dept., Mineral Processing Section, 34469 Maslak, Istanbul, Turkey 2 Informatics Institute, Istanbul Technical University, 34469 Maslak, Istanbul, Turkey Presenting author: [email protected]

Macrocycles are important class of drug delivery systems and superior properties over the other delivery mediums: encapsulation of drug molecules inside a macrocycle protect them to be degradated by some proteins (thiol or thiolate containg ones). Cucurbit[n]urils (CB[n]) (n=5-8,10) are very promising synthetic molecular hosts for the drugs. Barrel-shaped CB[n] are made of glycoluril (=C4H2N4O2=) monomers linked by methylene bridges (-CH2-) and have a hydrophobic cavity [1-3]. In this study, drug encapsulation performance of CB[n] (n=6,7,8) was investigated theoretically by performing binding energy computations employing dispersion corrected density functional (B97-D) with TZVP basis set. For this purpose, twelve different drug molecules (albendazole, atenolol, cisplatin, coumarin, glibenclamide, lansoprazole, memantine, norharmane, paracetamol, prilocaine, ranitidine, succinylcholine) used as analgesic, anaesthetic, antineoplastic and etc. were selected. Our results reveal that CB[6] slightly deforms to host the large drug molecules and generally binding energy of drugs are significantly lowered when the size of CB[n] increases.

Figure 1: Hosting of memenatine via CB[6]. References 1. Wang, R., Bardelang, D., Waite, M., Udachin K. A., Leek D. M., Yu K., Ratcliffe, C. I., and Ripmeester, J. A., Org. Biomol. Chem., 7, 2435–2439 (2009). 2. Lagona, J., Mukhopadhyay, P., Chakrabarti S., and Isaacs L., Angew. Chem. Int. Ed., 44, 4844 – 4870, (2005). 3. Walker, S., Oun, R., McInnes, F. J., and Wheate, N. J., Isr. J. Chem., 51, 616 – 624, (2011). Keywords: Cucurbit[n]urils, drug delivery, DFT, host-guest

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Peculiarities Of Phase Diagrams Of Systems With Ethyl Acetate And N-Propyl Acetate Synthesis Reactions Under The Isothermal Conditions Maria Toikka, Alexander Toikka, Maya Trofimova and Alexandra Golikova Saint-Petersburg State University, Faculty of Chemistry, Department of Chemical Thermodynamics and Kinetics, Universitetsky prospect 26, Petrodvoretz, 198504 Saint-Petersburg, Russia. Presenting author: [email protected] The goal of this work is to consider some peculiarities of multicomponent heterogeneous systems with chemical interactions. The main task is thermodynamic analysis of the features of liquid-liquid (LL) phase diagrams of the systems with equilibrium and non-equilibrium chemical reaction in solution. The thermodynamic conditions of mutual disposition of liquid-liquid tie-lines in ternary and quaternary systems, the interesting areas of the intersection of the binodal surfaces and chemical equilibrium (CE) surfaces are presented. The experimental objects are two quaternary systems with ester synthesis reaction that were carried out both for basic and industrial purposes [1]: acetic acid – n-propanol – water – n-propyl acetate and acetic acid ‒ ethanol ‒ ethyl acetate ‒ water systems. The mutual disposition of binodal and CE surfaces is under the question for each system investigated separately. Some results for these systems were presented in [2]. The main conclusion is the existence of such interesting area as intersection LL equilibrium and CE surface (at simultaneous consideration) in acetic acid – n-propanol – water – n-propyl acetate system at 293.15, 303.15 and 313.15 K [3]. The simultaneous binodal and CE surfaces for the acetic acid – npropanol – water – n-propyl acetate system (molar fractions, T = 293.15 K) are presented on Fig 1. (diagrams from different viewing angles):

Fig 1. a: shaded surface – binodal; b: white stroked region – the area of the intersection, K1 and K2 – critical points on the border of this area. The intersection of two surfaces investigated for acetic acid ‒ ethanol ‒ ethyl acetate ‒ water system is under the question for other isothermal conditions. The solubility phenomena in fluid reactive systems are the subject of interest from both basic and applied points of view. The data on LLE and CE should be taken into account for such processes as chemical synthesis in splitting solutions, extraction in reactive systems, etc. The database on thermodynamic properties of reactive LL systems is rather limited and needs to be developed. This research was supported by Russian Foundation for Basic Research (grant 13-03-00985 A) References. [1] A. M. Toikka, M. A. Toikka, Yu. A. Pisarenko, L.A. Serafimov. Theor. Found. Chem. Eng. 43, 129 (2009). [2] M. Trofimova, M. Toikka, A. Toikka. Fluid Phase Equilib. 313, 46 (2012) [3] Maria Toikka, Alexander Toikka. Pure Appl. Chem. 85, 280 (2013). Keywords: thermodynamics, liquid-liquid equilibrium, chemical equilibrium, coupled processes, multicomponent reacting systems

304



Electrogenerated Chemiluminescence Of Ru(Byp)3+2(Dibutylamino)Ethanolsystem Saima Parveen 1, Wei Zhang 1, Yali Yuan 2 Lianzhe Hua2, M. Rehan Hasan Shah Gilani 1 Aziz ur Rehman 1 Guobao Xu 2, 1 Department of Chemistry, Faculty of Science, The Islamia University of Bahawalpur, Bahawalpur 63100, Pakistan 2 State Key Laboratory of Electroanalytical Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun, Jilin 130022, China

+

2-(Dibutylamino)ethanol (DBAE) is a highly effective coreactant for Ru(byp)3 2 electrochemiluminescence(ECL) and +

+

Ru(byp)3 2 is a well-known ECL luminophore. In this study, ECL of Ru(byp)3 2 /DBAE has been investigated for the first time. This study has been carried out using cyclic voltametry and amperometry. The results imply that amperometry is found to be superior to cyclic voltametry as it shows approximately five fold enhancement in ECL emission intensity. Furthermore, +

+

compared to R Ru(byp)3 2, Ru(byp)3 2 provides several fold increase in ECL intensities with DBAE. Sensitive detection of RuðphenÞ2þ 3 is achieved with a linear range over approximately four orders of magnitude using very low concentration of DBAE (5 mM).

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[1] A.J. Bard (Ed.), Electrogenerated Chemiluminescence, Marcel Dekker, New York, 2004. [2] M.M. Richter, Chem. Rev. 104 (2004) 3003–3036. [3] B.A. Gorman, P.S. Francis, N.W. Barnett, Analyst 131 (2006) 616–639. [4] C.A. Marquette, L.J. Blum, Anal. Bioanal. Chem. 390 (2008) 155–168. [5] W.J. Miao, Chem. Rev. 108 (2008) 2506–2553. [6] R.J. Forster, P. Bertoncello, T.E. Keyes, Ann. Rev. Anal. Chem. 2 (2009) 359–385. [7] L.Z. Hu, G.B. Xu, Chem. Soc. Rev. 39 (2010) 3275–3304. [8] R. Kurita, K. Arai, K. Nakamoto, D. Kato, O. Niwa, Anal. Chem. 82 (2010) 1692– 1697. [9] X.Q. Liu, L.H. Shi, W.X. Niu, H.J. Li, G.B. Xu, Angew. Chem. Int. Ed. 46 (2007) 421–424. [10] J. Roop, M. Nothnagel, M. Schnuriger, M.M. Richter, G.A. Baker, J. Electroanal. Chem. 656 (2011) 34–40. [11] D. Bruce, J. McCall, M.M. Richter, Analyst 127 (2002) 125–128. [12] M.T. Carter, A.J. Bard, Bioconjugate Chem. 1 (1990) 25–263. [13] D.N. Lee, B.K. Soh, S.H. Kim, Y.M. Jun, S.H. Yoon, W.Y. Lee, B.H. Kim, J. Organomet. Chem. 693 (2008) 655–666. [14] Y.Q. Yu, M. Zhou, H. Cui, J. Mater. Chem. 21 (2011) 12622–12625. [15] W.J. Miao, J.P. Choi, A.J. Bard, J. Am. Chem. Soc. 124 (2002) 14478–14485. [16] F. Kanoufi, Y. Zu, A.J. Bard, J. Phys. Chem. B 105 (2001) 210–216. [17] E.M. Gross, P. Pastore, R.M. Wightman, J. Phys. Chem. B 105 (2001) 8732–8738. Keywords: electrochemistry, coreactant, Ru(byp)3+2

306



Silicon Photonics with Silicon Microspheres Ali Serpengüzel Koç University, Physics Department, Microphotonics Research Laboratory, Rumelifeneri Yolu, Sariyer, Istanbul 34450 Turkey. Telephone: + 90 (212) 338 1312 Fax: + 90 (212) 338 1547, E-mail: [email protected] Abstract Sphere is the ideal geometry for a resonator in many fields of science and technology. In optics, with high quality factor morphology dependent resonances such as geometric resonances or whispering gallery modes, the sphere leads itself to various electromagnetic applications. In this talk, we will focus on the properties of silicon spherical resonators and their applications in the near-infrared part of the electromagnetic spectrum. Keywords: silicon, photonics, microsphere, microresonator, optical resonance.

307



Preparation And Characterization Of Multiwalled Carbon Nanotubes/Poly (Vinyl Chloride) Nanocomposites K. Saeed1, N. Khan1 1

Department of chemistry, University of Malakand, Chakdara, Dir (Lower), Khyber Pakhtunkhwa, Pakistan Presenting author: [email protected]

The functionalized multiwalled carbon nanotubes/Poly (vinyl chloride) (F-MWNTs /PVC) nanocomposites were prepared by solution casting technique. The F-MWNTs were functionalized by Friedal-Craft acylation reaction, which introduced pamino benzoic acid on the surface of carbon nanotubes. The SEM studied presented that the F-MWNTs were well dispersed and embedded within the PVC polymer matrix. The tensile strength, modulus and elongation at break of the F-MWNTs/PVC nanocomposites were increased up to an optimum level (F-MWNTs 2 wt %) and then decreased gradually when the amount of F-MWNTs increased in PVC matrix. The decrease in mechanical properties might be due to the agglomeration of FMWNTs at high concentration. The TGA thermograms showed that the thermal stability of the F-MWNTs/PVC nanocomposite samples was enhanced as compared to pure PVC. The swelling behavior of pure PVC and F-MWNTs/PVC nanocomposites were studied in various solvents like distilled water, kerosene and chloroform. It was found that the solvents uptake of F-MWNTs/PVC nanocomposite was than neat PVC.

Figure: SEM image of the fractured surface of F-MWNTs/PVC nanocomposite samples Keywords: F-MWNTs, Nanocomposites, Poly (vinyl chloride

308



The Dihydrated Calcium Phosphate Fixator And Stabilizer Of Glutaraldehyde. M. Bouzid1, A. Djadi2, S. Guechtoulli.2 Faculty of Science, Department of Chemistry, University of Boumerdes, Boumerdes, Algeria. 2 Department of Research and Development, Health Technology of Algeria, 02Ttitouamene street Cherchell, Algeria. 1

Abstract The dehydrated calcium phosphate (B) reacts with glutaraldehyde (A) in aqueous solution with a yield of 95%. The resulting product (C) is chemically stable. The obtained purity is checked by UV - Visible and the structure is discussed on the basis of the Infrared absorption. The reaction mechanism is explained by the approach of the hydroxyl group (- OH) of one of the aldehyde functions (-CO) of 1.5 dipentanal with the enolic form, which stabilizes the product (C). The reversible reaction is performed by mild oxidation of the compound (C) in aqueous medium at ambient temperature. The compound (B) is generated with high efficiency. The comparative spectral and thermography study confirms this result. Key words: Dehydrated calcium phosphate, Glutaraldehyde, Oxidation, Thermography. References 1. Li-Kuo Lin. A study on the thermal properties of dibasic Calcium Hydrogen phosphate and monobasic calcium phosphate. Analytical sciences 13 (1997). 2. Snyder R.W., Cheatle E.L. Alkaline glutaraldehyde: an effective disinfectant. American Journal of Hospital Pharmacy 22 (1965) pp 321- 327.

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Ultra-Fast Catalysis Of Dyes By Gold Sol S. H. Syeda 1 , Sirajuddin.2 1,2 National Center of Excellence in Analytical Chemistry, University of Sindh, 76080,Jamshoro, Pakistan Presenting author : [email protected]

We synthesized mefenamic acid derived gold nanoparticles in aqueous solution (MA-Au sol) and observed their red shift with time. UV-Visible Spectra of the sol examined at 1,5,15 and 60 minutes showed changes in size and shape of formed AuNps. Continuous change in absorbance and red shift in λmax with time (Fig. 1) described according to Mie Theory [1]. Each Au sol exhibited exceptional catalytic activity for the reduction of Methylene Blue (MB), Rose Bengal (RB) and Eosin B (EB) dye [2] collectively. Complete reduction of dye(s) was accomplished by Au sol of 5 minutes in just 15 seconds. AuNps were recovered from treated solution with the help of water insoluble room temperature ionic liquid.In depth observation confirmed that the total reduction of dye(s) is achieved by the combined effect of MA derived AuNps in the sol and AuNps formed by NaBH4 reduction after introducing MA-Au sol into dye(s) solution. This report is reply to several queries for environmental safety and extendable to areas like synthetic chemistry, sensors, optics due to economical, green and time saving aspects. . 1.0 0.8 D

0.6

A

C

0.4

B A

0.2 0.0 400

500

600

700

800

900

1000 1100

nm Fig.1 Reference 1. G.L. Hornyak, Nanostruct. Mater. 9, 575–578 (1997). 2. N.R. Jana, Langmuir 16, 2465–2463 (2000). Keywords: Mefenamic acid, Gold sol, Catalyst, Dyes reduction

310



Cellulose: One Alternative In The Search Of The New Nanomaterials Berta Inés Delgado Fajardo1, Yurany Andrea González Jurado 2, Janyeth Pauline Poloche Bustamante2 1 Centro de Investigación y Desarrollo Científico. Universidad Distrital Francisco José de Caldas. Directora Grupo Química Ambiental-Semillero Nanotox, 11001000, Bogotá D.C., Colombia 2 Centro de Investigación y Desarrollo Científico. Universidad Distrital Francisco José de Caldas. Estudiantes Investigadores Grupo Química Ambiental-Semillero Nanotox, 11001000, Bogotá D.C., Colombia Presenting author: [email protected] An excellent alternative that yet to be explored, is using nanomaterials with properties hydrolytic and catalytic such as to allow the reduction and transformation of cellulose into other molecules that can be better exploited. The Cellulose is a material of high technological and scientific potential. Analysis by Diffractogram of x-ray and polarized infrared radiation absorption has shown that cellulose fibers are constituted by amorphous and crystalline regions. These regions are constituted by micelles that in turn compose fine thin filaments of approximately 10 to 25 nm long, for this reason has been the subject of many studies in nanotechnology research and development of new potential as reinforcing fibers and polymers thermoplastic of nanofibers of cellulose, nanobiocomposites developing low-cost, methods of obtaining nanocellulose crystals to absorb pollutants or dyes of high light resistance, among others. For its absorption characteristics, lightness and biodegradability and considering that it constitute approximately 45% of vegetal dry material which represents about 50% of solid residues of the planet, cellulose is an important energy reserve, which has led to the search for chemical and enzymatic methods that allow reduction. In response to these new possibilities, nanoscience plays a very important role. It has shown that metallic particles < 5 nm act like an effective catalyst. This would provide an idea to start a research on nanomaterials which show interesting applications to decompose this biopolymer, since the chemical and enzymatic depolymerization process of cellulose seem to be expensive and ineffective.

References: Ana B. Morales Cepeda, David Victoria Valenzuela, Marielli E. Ponce Medina, Tomás Lozano Ramírez, Materiales reforzados de poliolefinas recicladas y nanofibras de celulosa de henequén, México 2011. 2. R. M. García, N. Flores, H. E. Martínez, J. G. Rutiaga, Identificación y caracterización de nanomateriales de celulosa obtenidos mediante emulsión inversa y ultrasonicacion térmica, México 2010. 3. Lucas López, Rosario, Degradacion de la celulosa y la lignina, Andalucia, España 2001. 4. Martínez González, M.C., Honrubia García, Mario, Degradacion de la celulosa y la lignina en cultivo liquido de ceriporia bresandolae (Bdot. Et Galz.) Bond. & Sing. (Aphyllophorales: Basidiom ycotina), España 1985. Keywords: Cellulose, polymer degradation, nanomaterials hydrolytic, cellulosic biomass. 1.

311



USY Zeolite Supported W, Ni And Ni-W Hydrocracking Catalysts Prepared Via Reactive Supercritical Deposition 1

A. H. Habibi1, S.E. Bozbag1, A.M. Kartal2, C. Erkey1,3* Department of Chemical and Biological Engineering, Koç University, 34450 Sarıyer, Istanbul, Turkey 2 Turkish Petroleum Refineries, Izmit, Turkey 3 Koç University TUPRAS Energy Center, Koç University, 34450 Sarıyer, Istanbul, Turkey * Corresponding author: [email protected]

Hydrocracking catalysts are generally synthesized using the incipient wetness method. In this study, we developed an alternative novel technique called Reactive Supercritical Deposition (RSCD). This technique involves the dissolution of metal precursor(s) in a supercritical fluid (SCF) and exposure of a substrate to this solution. Metal precursor is then chemisorbed on the support in the presence of SCF. Chemisorbed metal precursor can then be oxidized to metal oxide through calcination. A series of WO3/Zeolite, NiO/Zeolite and NiO-WO3/Zeolite catalysts were prepared using RSCD method. Metal precursors employed were tungsten hexacarbonyl (W(CO)6), Nickel(II) acetylacetonate and bis(1,1,1,3,5,5,6,6,6nonafluorohexane-2,4-diiminate)nickel. Subsequent to the chemisorption of metal precursors on USY Zeolite pellets in the presence of supercritical CO2 (scCO2), materials were calcined at ambient pressure. X-Ray Fluorescence analysis showed an increase in the W loading with an increase in both the initial W(CO)6 concentration in scCO2 and the deposition time. Precursor chemisorption was characterized via Fourier Transform Infrared spectroscopy. Temperature Programmed Desorption of NH3 (TPD-NH3) results indicated that there is a linear increase in the total acidity with the increase in the WO3 loading in the 0-20 wt. % range. TPD-NH3 suggested that at the same loading the acid site distribution was different from catalyst prepared by incipient wetness at the same metal oxide composition and the proportion of the stronger acid sites was higher for the catalysts prepared using RSCD (53.3% of the total acid sites) as compared to that of the incipient wetness (33.2% of the total acid sites). Keywords: Hydrocracking, reactive supercritical deposition, nickel-tungsten, zeolite

312



Mustard Carbonate Analogues F. Aricò1, Serena Evaristo1, P. Tundo1 1

Department of Environmental Sciences, Informatics and Statistics, Ca’ Foscari University, 2137 Dorsoduro 30123 Venezia, Italy Presenting author: [email protected]

Bis-(2-chloroethyl) sulphide and bis-N,N-(2-chloroethyl)ethylamine (Figure 1), respectively known as sulfur and nitrogen 1 mustards, have been used as chemical weapon for the first time in World War I for their acutely toxic vesicant properties. The toxicity of these compounds is strictly related to their high reactivity. In fact, sulfur and nitrogen mustard, as well as, their monofunctional analogues half-mustards readily eliminates a chloride ion by intramolecular nucleophilic substitution 2 due to the sulfur and nitrogen anchimeric effect, to form a cyclic episulfonium/aziridinium ion.

Figure 1: Mustards (upper compounds) and mustard carbonate. Despite their toxicity, sulphur and nitrogen mustards are compounds of great interest; they are extensively employed in inorganic synthesis, organic synthesis and in the preparation of numerous pharmaceuticals intermediates such as anticancer drugs. However, their harmful properties limit the potential exploitation of these compounds that represent indeed iconic molecules for unsafe chemistry. Here the synthesis of sulfur and nitrogen mustard carbonate analogues by dimethyl carbonate chemistry is presented. The replacement of a chlorine with a carbonate moiety not only results in 3 harmless compounds, but most importantly gives open access to reactive intermediates so far only poorly exploited. Furthermore the chemical behavior and the related reaction kinetic of these mustard carbonate analogues will be also reported. References 1. a) J. C. Dacre, M. Goldman, Pharmacol. Rev. 48, 289 (1996); b) J. Liu, K. L. Powell, H. D. Thames, M. C. MacLeod, Chem. Res. Toxicol. 23, 488 (2010). 2. E. Block Reactions of organosulfur compounds (Academic Press, New York, 1978) 3. F. Aricò, M. Chiurato, J. Peltier, P. Tundo Eur. J. Org. Chem. 3223 (2012). Keywords: Mustard, Dimethyl carbonate, Anchimeric effect, Green Chemistry,

313



Sustainability and the U.S. National Science Foundation Deborah M. Aruguete1 1

National Science Foundation, 22230, Arlington, VA, U.S.A. Presenting author: [email protected]

NSF has established and implemented an agency-wide investment area, Science, Engineering, and Education for Sustainability (SEES). SEES is a 10-year initiative with the overall mission to advance science, engineering, and education to inform the societal actions needed for environmental and economic sustainability and sustainable human well-being. SEES activities span the entire range of scientific domains at NSF and aim to: 1) support interdisciplinary research and education that can facilitate the move towards global sustainability; 2) build linkages among existing projects and partners and add new participants in the sustainability research enterprise; and 3) develop a workforce trained in the interdisciplinary scholarship needed to understand and address the complex issues of sustainability. Now in its fourth year, the SEES portfolio includes 17 interdisciplinary programs that represent a significant and growing cross-NSF investment. In this presentation, we will discuss the present and future of SEES, particularly with regards to programs with strong elements of the chemical sciences. Keywords: sustainability, sustainable chemistry, energy, environment

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Hydrothermal Synthesis Of Nuclear Waste Storage Materials M. W. French1, R. J. Darton1 1

Keele University, Keele, Staffordshire, ST5 5BG, United Kingdom Presenting author: [email protected]

Nuclear waste production is undoubtedly a major downside to nuclear energy. Currently in the UK, much of our intermediate- and high-level waste is stored in temporary facilities with the aim of burying it in deep underground repositories by 2040 [1]. In order to achieve this, the radionuclides require immobilising to prevent them from leaching into the environment. This can be achieved by incorporating the radionuclides into minerals, ceramics or glasses before encapsulation in stainless-steel canisters. In order for a material to be successful in this role it must be both thermally and radioactively stable. The current plan for disposing of high-level waste is to combine it with molten borosilicate glasses before encapsulation in stainless steel canisters. This, however, may not be the perfect solution as these glasses have been found to undergo amorphisation of the newly-formed crystalline phase; over time this amorphisation can lead to microcracking and swelling thus reducing the integrity of the waste form [2]. Our research is therefore focused on ceramics as an alternative or as part of a composite mixture with glass to improve properties. We have focused on the zircon, ZrSiO4 (Figure 1), and pyrochlore, A2B2O7, structure types.

Figure 1: Polyhedral representation of the zircon structure showing a potential radionuclide doped into a zirconium site o

In this presentation we will show how hydrothermal synthesis at low temperatures (150-240 C) offers significantly greater control over the product structure and morphology than typical solid state syntheses. Our materials show excellent thermal stability and resistance to ground water leaching and can often be synthesised in less than 72 hours. References 1. The Department of Energy & Climate Change and the Nuclear Decommissioning Authority, The 2010 UK Radioactive Waste Inventory: Main Report (2011). 2. A. A. Digeos, J. A. Valdez, K. E. Sickafus, S. Atiq, R. W. Grimes and A. R. Boccaccini, J. Mater. Sci., 38, 1597-1604 (2003). Keywords: Nuclear waste form, Radioactive waste storage, Hydrothermal synthesis, Pyrochlore, Orthosilicate, Zircona

315



Terpenoids Of Salvia Species As Potential Anti-Alzheimer Drugs Gülaçtı Topçu 1

Department of Pharmacognosy/Phytochemistry, Faculty of Pharmacy, Bezmialem Vakif University, 34093, Fatih, Istanbul, Turkey [email protected]

Since antiquity, Salvia (sage) species have been used as folkloric remedies and they have been known with antimicrobial, antituberculosis, against stomache ache and regulating menstrual disorders as well as sedative, antidepressant and memory enhancer properties. In Europe, several sage plants, such as S. officinalis, S. lavandulifolia, S. fruticosa have traditional reputations that justify investigation for a potential role in reducing cognitive decline in the elderly [1]. Salvia species (Labiatae = Lamiaceae family) are rich in terpenes, flavonoids and phenolics. As terpenic constituents, mono-, di-, and triterpenes, even sesqui- and sesterterpenes are found in Salvia species [2-4] which have antioxidant, antibacterial, antiviral, cytotoxic and antitumor properties as well as cardioactive and anticholisterase properties [1-4]. As our continuing studies for over 30 years on Salvia species, anticholinesterase activity of the terpenoids, including about over 50 pure diterpenoids and 20 triterpenoids and essential oils, were investigated, obtained from a number of Anatolian Salvia species. They were first investigated at 200µM concentration against AChE (acetylcholinesterse) and BChE (butyrylcholinesterase) enzymes by the Ellman method in vitro [5]. The diterpenoids exhibited about 50% inhibition at least against one of the two cholinesterase enzymes, they were then subjected for the same test at the five different doses (12.5, 25, 50,100 and 200µM) to find their IC50 values. Interestingly, most of them exhibited more or less activity against butyryl cholinesterase (BChE) enzyme, and among them, bractealine, 6-hydroxysalvinolone, royleanone 12methyl ether, ferruginol and taxodione showed high activity with the IC 50 values of 3.43, 17.21, 56.48, 17,49 and 7.73µM, respectively, while their inhibition on AChE was found to be weaker. However, triterpenoids showed inhibitory properties against both enzymes, in general. Among them, particularly ursolic acid and oleanolic acid exhibited dual inhibitor properties with moderate-high activity against both enzymes. The essential oils, which consist of namely monoterpenes along with a less number of sesqui- and diterpenes, were also found to be highly active against both enzymes. Rationalization of the differences in the enzyme active sites of the investigated pure compounds has been performed using docking studies. Thus, Salvia terpenoids were found to be potential anti-Alzheimer drugs which verify their neuroprotective and memory enhancer properties. References 1-Perry NSL, Bollen C, Perry EK, Ballard C. Pharmacol, Biochem & Behav75, 651-659 (2003). 2-Topçu, G., Z. Turkmen, J.K. Schilling, D.G.I. Kingston, J.M. Pezzuto Pharm. Biology 46, 180-184 (2008). 3-Kıvrak I, Duru ME, Öztürk M, Mercan N, Harmandar M and Topçu G Food Chem 116, 470 479 (2009). 4- Topcu, G., J. Nat. Prod. 69, 482-486 (2006) 5- Ellman, GL, et al. Biochem and Pharmacol 7, 88–95 (1961). Keywords: Alzheimer, Lamiaceae, salvia, terpenoids

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OPTIMIZATION OF CHOLESTEROL LOWERING DRUG LOVASTATIN PRODUCTION BY RESPONSE SURFACE METHODOLOGY *Sadia Javed1, Munazzah Meraj2, Shazia Anwer Bukhari1, Iram Zovia1, Iftikhar Hussain Bukhari1 Department of Chemistry, Government College University, 38000, Faisalabad, Pakistan1 Department of Biochemistry, Peoples University of Medical & Health Sciences, 67450, Nawabshah, Pakistan2 *Corresponding Author E-mail: [email protected] [email protected] Lovastatins is a potent drug used to lower the hypercholesterolemia by inhibiting the enzyme 3-hydroxy-3-methylglutaryl coenzyme A reductase, which leads to atherosclerosis and coronary heart disease. It is also considered as immunomodulatory agent and beneficial in the treatment of autoimmune disease. In the present study two fungal cultures Aspergillus flavus, Penicillium citrinum separatelety and as well as mixed culture were used for the production of cholesterol lowering drug lovastatin by using agro-industrial wastes (Corn Cobs, Wheat straw) as a substrate during solid state fermentation (SSF). Agroindustrial wastes are composed of complex polysaccharides that provide surface and nutrients for microbial growth for the production of lovastatin. Today, green chemistry or sustainable chemistry technologies are in demand to manage environmental wastes challenges. It is a powerful tool to evaluate the environmental impact of nanotechnology. In initial screening experiment, the extracted lovastatin from Penicillium citrinum using corn stover as the substrate showed higher amount of lovastatin production 21.92 mg/100mL as compared to Aspergillus flavus and the mixed culture. To improve the production of cholesterol lowering drug by Penicillium citrinum with solid state fermentation (SSF) physical factors such as pH, temperature, inoculum size, moisture contents and incubation time were optimized by varying them simultaneously using response surface methodology (RSM). Key Words: Lovastatin, HMG CoA reductase, Hypercholesterolemia, Atherosclerosis, RSM, SSF

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Potential Anticancer Agents From Selected Zingiberaceae Species Sri Nurestri Abd Malek1, Lee Guan Serm1, Hong Sok Lai1, Syarifah Nur Syed Abdul Rahman1, Zarith Safinaz Dol Bakri1, Phang Chung Weng1 and Behrooz Banisalam1 1

HIR Functional Molecules for Lifestyle Diseases Laboratory, Institute of Biological Sciences, Faculty of Science, University of Malaya, 50603 Kuala Lumpur, Malaysia. Presenting author: E-mail address: [email protected]

Species of the Zingiberaceae family have a long history in traditional medicine. Many have been traditionally utilised in the treatment for cancer. As part of our search for new and novel anti-cancer agents from natural sources, several species of the ginger family have been investigated for their cytotoxic effect against six human carcinoma cell lines, namely MCF-7, A549, Ca Ski, HCT 116, HT-29 and one non-cancer cell line (MRC-5). The ginger species investigated were Curcuma mangga, Curcuma zedoaria, Curcuma aeruginosa, Alpinia mutica, and Boesenbergia rotunda. Cytotoxic activity was determined by the neutral red cytotoxicity or MTT assay. Cytotoxicity of each sample is expressed as IC50 value which is the concentration of a test compound that causes 50% inhibition or cell death, averaged from three experiments. The cytotoxic components were obtained through bioassay-guided isolation and identified using spectroscopic (NMR) and mass spectrometric techniques. The cytotoxic principles were identified as curcumin and its derivatives, (E)-labda-8(17),12-dien-15,16-dial, furanodienone, curdione, zerumin A from Curcuma mangga; alismol, curdione, curcumenol, curcumenone from Curcuma zedoaria; curzerenone, dehydrocurdione, curdione from Curcuma aeruginosa; flavokawin B, pinostrobin chalcone, cardamonin from Alpinia mutica; pinostrobin and cardamonin from Boesenbergia rotunda. All these compounds demonstrated inhibitory activities in the investigated cancer cell lines with IC50 values less than 14µg/ml. The results obtained up to this stage thus support the use of the investigated plants as natural remedy for the treatment of cancer. Further investigations are required to understand the underlying mechanism by which cancer cell death are affected by the active compounds. Keywords: Zingiberaceae, cytotoxic principles

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Clinical Test Of Product Indonesian Jamu Temulawak As Antihepatotoxic Nurfina Aznam, Sri Atun, Retno Arianingrum Department Chemistry education, Universitas Negeri Yogyakarta, Karangmalang, Depok, Sleman, Yogyakarta, 55281, Indonesia Presenting author: [email protected]

Temulawak (Curcuma xanthorhiza Roxb) is an Indonesian original medicine plants. Among them, this plant used as hepatotoxic medicine. The aim of the research is to carry out a limited clinical test as antihepatotoxic medicinal herbs Indonesian jamu temulawak. The parameter used as value is SGPT and SGOT. The research will be hold in 3 stages (3 year). In the first stage, observed a phase clinical test in both temulawak in the form capsule and instant. In this experiment these nd medicinal herbs is given in human with good health to see farmacologyc and side effects. In the 2 observed a clinical test to see the possibility of effect therapeutic of these medicinal herbs. In this stage the clinical test is carried out openly th without control (uncontrolled). And in the 3 stage observed the clinical test carried out with control group. The results of st 1 phase clinical trial conducted on 53 healthy volunteers with a variety of men and women aged between 20-60 years, showed that temulawak in the form capsule and instant taken 2x a day does not give side effects to the function detrimental to the kidneys and liver. From the results of this study can also be known for more than 80% of respondents nd claimed to feel better after taking the herb temulawak either instant or capsules. The 2 stage showed significant different value SGPT and SGOT from respondent in three times blood analysis. There was no effect of SGPT and SGOT levels th decreased due to the used of temulawak capsule and instant products. The 3 phase clinical trials to know the number of patients who showed abnormalities include SGPT and SGOT level, hematology, and urine decreased after one month of drinking temulawak herbs. References 1. Park, S.Y., Kim, D.S.H.L., J. Nat.Prod., 65 (9), 1227-1231 (2002) 2. Matsuo, T., Toyota, A., Kanamori, H., Nakamura, K., Katsuki, S., Sekita, S., Sakate, M., Hiroshima-ken Hoken Kakyo Senta Kenkyu Hokuku, 10, 7-13 (2002). Keyword: clinical test, Indonesian Jamu temulawak, antihepatotoxic

319



Haptoglobin Diagnosis: A Novel Impidimetric Biosensor For A Cancer Biomarker M.Nur SONUÇ1, Ç.Sayikli ŞİMŞEK2, M.Çetin CANBAZ2, M. Kemal SEZGİNTÜRK2 1

2

Namik Kemal University, School of Health, 59030 Tekirdağ, Turkey Namik Kemal University, Faculty of Arts and Science, 59030 Tekirdağ, Turkey Presenting author: [email protected]

Cancer biomarkers are potentially one of the most precious tools for early cancer detection, accurate pretreatment staging, detecting the response of cancer to chemotherapy treatment, and monitoring disease progression. [1] In order to initially and rapidly detect carcinoma, there is a necessarily need for sensitive, selective and low-cost, biosensors. Haptoglobin (Hp) is an acute phase plasma glyco- protein (with a concentration of 0.45–3mg per ml blood plasma) in different combinations that binds free hemoglobin (Hb) to prevent Hb-induced oxidative stress [2] Besides its main function several studies have reported that Hp overexpressed in breast cancer,ovarian cancer,pancreatic cancer,malignant lymphoma, urogenital tumor, bladder cancer and lung cancer. Research over the past 60 years has demonstrated that Hp is a multifunctional protein related to a variety of regulation processes, including immune responses, angiogenesis, prostaglandin synthesis, and reverse cholesterol transport [3]. The aim of this study to fabricate a new impedimetric biosensor, based on the use of anti- haptoglobin for the determination of haptoglobin. Anti-haptoglobin was immobilized through covalent coupling with (3Aminopropyl)triethoxysilane which formed a self-assembled monolayer on PET coated indium tin oxide (ITO) electrodes. Cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) techniques were applied to characterize the immobilization process and to detect haptoglobin. Certain important parameters were optimized to obtain the best results. Determination range of haptoglobin has been stated as 0,2-1,2 fg/µl. The fabricated biosensor had good repeatability and reproducibility. Finally, the artificial serum samples composed of haptoglobin were analyzed by the biosensor. References 1. B.B and S.M, Nanotechnology, Science and Applications, 4, (2011) 2. M.A and. H.S, Pathology – Research and Practice, 205 (2009) 3. S.K, H.S and J.A Mol. BioSyst.4, (2011) Keywords: haptoglobin, cancer biomarker, ITO, impidimetric biosensor

320



Human Bone Marrow Mesenchymal Stem Cell Differentiation On Biomimetic Elastin And Collagen Type I Blends B. Çelebi1, A.Bandiera2, D.Mantovani3 1

Stem Cell Research and Application Center-Hacettepe University, 06100, Ankara, Turkey Dipartimento di Scienze della Vita, Universita degli Studi di Trieste, 34127, Trieste, Italy 3 Laboratory for Biomaterials and Bioengineering, Laval University, G1V 0A6, Quebec, Canada Presenting author: [email protected] 2

Cell/matrix interactions play a crucial role in mesenchymal stem cell (MSCs) responses, as migration, proliferation and differentiation [1]. With the exception of collagen type I (COL I), which has been studied intensely in the field of MSCs differentiation, very little is known about the roles and impact that other extracellular matrix components such as elastin on MSCs growth and differentiation [2]. Two prototypes of recombinant human elastin-like polypeptides (HELP and HELP1) [3] have been assayed in combination with extracted COL I [4] toward human bone marrow (hBM) MSCs. Elastin-derived biomimetic surfaces for cell culture were prepared and characterized with atomic force microscopy (AFM). Fibril-like formations of HELP and amorphous feature of HELP1 on the coated surfaces were observed by AFM. 2 Cell viability and osteogenic differentiation potential of hBM MSCs on COL I and HELPs blends (1- 10µg/cm ) in both osteogenic and non-osteogenic (α-MEM) medium were then investigated. hBM MSCs cultured in osteogenic medium on COL I/HELP and COL I/HELP1 coated surfaces showed increased cells viability compared to cells cultured on the same coating in non-osteogenic medium. In particular, cultures on COL I/HELP 2 (10µg/cm ) coated surfaces showed best cell viability (82.2 ± 1.2) until day-7. However, in the presence of the highest HELP1 biopolymer concentration a slight decrease of cell viability has been observedin non-induced cultures . Osteopontin staining was performed to assess differentiation capacity of BM MSCs into osteoblast-like cells in these culture conditions. Higher cell proliferation was observed for cultures on COL I/HELP and COL I/HELP1 coated surfaces with respect to cells 2 cultured on COLI alone in both non-osteogenic and osteogenic medium. Except COL I/HELP1 (1µg/cm ) coating, all the blended coatings induced MSCs osteogenic differentiation even in the absence of osteogenic medium. These findings are in agreement with those reported by other authors showing osteoinductive roles of COL I-elastin matrices [5]. Therefore, our new biomimetic composites could be used as potential substitutes for bone tissue engineering. References 1. R. P. Keatch, A.M. Schor, J.B. Vortius and S.L. Schor, Curr. Opin. Biotechnol. 4, 579-582 (2012) 2. B. Çelebi, A. Elçin and YM. Elçin, J Proteome Res. 9 (10), 5217-5227 (2010) 3. A.Bandiera, Enzyme Microb Technol. 49 (4), 347-352 (2011) 4. B. Çelebi, N. Pineault and D. Mantovani, Advanced Materials Res. 409, 111-116 (2012) 5. L.B. Rocha, R.L. Adam, L.J. Leite, K. Metze and M. A. Rossi, J. Biomed. Mater. Res. A. 79 (2), 237-245 (2006) Keywords: elastin, collagen type I, human bone marrow mesenchymal stem cells, HELP, HELP 1

321



A NOVEL HYDROGEN BONDED BIMETALLIC SUPRAMOLECULAR COORDINATION POLYMAR {[Snme3(Bpe)][Ag(CN)2][H2O]2} AS ANTICANCER DRUG. Safaa El-din H. Etaiw(1),*, Ahmed S. Badr El-din(1), Ahmed S. Sultan(2), 1

2

Chemistry Department, Faculty of Science, Tanta University, Tanta, Egypt Biochemistry Department, Faculty of Science, Alexandria University, Alexandria, Egypt Presenting author: [email protected]

The reaction of Me3SnCl, K3[Ag(CN)4] and 1,2-bis(4-pyridyl)ethane (bpe) in water/CH3CN solution at room temperature affords the novel bimetallic supramolecular coordination polymer (SCP) {[SnMe3(bpe)] [Ag(CN)2][H2O]2}n, 1. The structure of 1 consists of cationic {(Sn(Me3)(bpe)}‫ ‏‬chains that are neutralized by [Ag(CN)2] anions. The dicyanoargentate(I) anions present discrete uncoordinated fragments between the cationic chains. The water molecules bind the cationic chains and the anions forming 3D-supramolecular structure through hydrogen bonds. The SCP 1 exhibits strong fluorescence at room temperature. The 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay was used to determine the in vitro antitumor effects of the SCP 1 on human breast cancer cell line, T-47D. Cell cycle analysis revealed that the SCP 1 induced apoptosis in T-47D breast cancer cell line. Moreover, in vivo, the SCP 1 showed tumor growth inhibition in rat model that developed mammary carcinoma by 44.8% compared to the vehicle treated control. Thus, the SCP 1 exhibits specific in vivo and in vitro antitumor effects. Keywords: Supramolecular coordination polymer, Organotin, 1,2-bis(4-pyridyl)ethane, Breast cancer

322



NOVEL POLYMERIC MATERIALS FOR BIOMOLECULAR IMMOBILIZATION Amitav Sanyal Bogazici University, Department of Chemistry, Bebek 34342, Istanbul, Turkey [email protected]

Recent years has witnessed an increased utilization of reactive polymers as versatile building blocks for fabrication of novel platforms for biomolecular immobilizations. Advances in synthetic polymer chemistry has enabled the design and synthesis of reactive polymers to accommodate a wide variety of functional groups in desired density along the polymeric backbone by appropriate choice of monomers and adjusting the feed ratio during the polymerization. For many applications it is desirable to fabricate polymeric platforms that allow facile biomolecular immobilization under mild and benign conditions with control over their location and density. Our reseach has focussed on the design of novel polymeric materials that allow efficient biomolecular immobilization in a tailored manner [1]. We have employed several strategies towards the design and fabrication of polymeric materials that would allow spatial and temporal control during immobilization. The main focus of these approaches have aimed to utilize the thiol-group as a handle for immobilization since the thiol group is found in several biomolecules and can be easily incorporated into various peptides and oligonucleotides during their synthesis. For example, we have developed a Diels-Alder cycloaddition-cycloreversion based strategy to access polymeric materials that contain thiol- reactive maleimide functional groups [2]. In recent years, we have expanded the strategy to include other reactive functional groups such as activated and dormant alkenes to obtain polymeric materials that can be easily decorated with thiol containing biomolecules [3,4]. The presentation will disclose the design of various polymeric materials for employing metal-free conjugation strategies for immobilization of biomolecules onto polymeric platforms such as thin films and hydrogels. References [1] I. Kosif, E. J. Park, R. Sanyal, A. Sanyal, Macromolecules, 43, 4140-4148 (2010). [2] A. Sanyal, Macromol. Chem. Phys., 211, 1417-1425 (2010). [3] I. I. Yilmaz , M. Arslan , A. Sanyal, Macromol. Rapid Commun., 33, 856-862 (2012). [4] T. N. Gevrek, R. N. Ozdeslik, G. S. Sahin, G. Yesilbag, S. Mutlu, A. Sanyal, Macromol. Chem. Phys., 213, 166-172 (2012). Keywords: Reactive Polymers, Biomaterials, Biomolecular Immobilization, Hydrogels

323



Self-Assmbled Dendritic Constructs As Drug Delivery Platforms R Sanyal 1,2, B. Bolu1, E. Manavoğlu1, N. Böke1, Ö. Gök,1 1 2

Bogazici University, Department of Chemistry, Bebek, 34342, Istanbul, TURKEY Bogazici University, Center for Life Sciences and Technologies, Istanbul, TURKEY Presenting author: [email protected]

Amphiphilic block copolymers can self-assemble to form stimuli-responsive micelles which then can be utilized as carriers for drug delivery purposes. These self-assembled micellar structures can encapsulate and on-demand release guest molecules like drug molecules. The confinement of these guest molecules reduces their contact with all the cells, lowering cytotoxic events in undesired tissues. After the carrier arrives at its destination, release of the cargo is triggered upon disassembly of the micellar construct. In this study, using biodegradable polyester dendron and biocompatible PEG, various micellar constructs are synthesized [1]. These dendron-linear polymer-dendron conjugates form the amphiphilic ABA block copolymers. Huisgen type “click” reaction was employed to obtain these well defined structures [2]. Of the two sets of constructs, the first set utilized hydrophobic interactions to encapsulate a drug molecule; whereas the same drug molecule was covalently attached to the dendritic segment in the second set of constructs. In the first set, the dendron surface was equipped with a hydrophobic moiety, providing pH-sensitivity, in order to form micellar structures in water via selfassembly. In the second set, attachment of the drug molecules as the surface groups stabilized the micelles. By varying the generation of the dendron, thereby changing the hydrophobic-hydrophilic ratio, optimum micellar structures can be obtained. The stability of these micelles were demonstrated by the release of a hydrophobic dye. The acid or enzyme induced drug release was monitored by UV-VIS spectroscopy and LC/MS, size of micelles were determined by DLS and SLS. Acknowledgments: The author thanks The Scientific and Technological Research Council of Turkey (TUBITAK) and Turkish National Academy of Sciences (TUBA) for financial support. [1] H. Altin, I. Kosif and R. Sanyal, Macromolecules 43, 3801-3808, (2010). [2] S. Yigit, R. Sanyal and A. Sanyal, Chemistry: An Asian Journal 6, 2648-2659, (2011). Keywords: self-assembly, micelle, block copolymers, dendron, drug delivery

324



Design of Efficient Core-Shell Nanoparticles based on Synthetic Peptides and Proteins for the Delivery of Anti-Cancer Drugs Martina Stenzel, Yoseop Kim, Hongxu Lu, Yanyan Jiang Centre for Advanced Macromolecular Design, University of New South Wales, Australia Presenting author: [email protected]

Micelles are widely proposed for the controlled delivery of drug due to their core-shell structure and their nanoscopic size. The delivery of drug-loaded micelles into the cell has always been a topic of interest and the enhancement of cell uptake was found to translate directly to enhanced drug toxicity. The ability of several peptides, called cell penetrating peptides (CCPs) or protein transduction domains (PTDs), to translocate across the cell membrane into the cytoplasm and nucleus in an energy independent or receptor-independent manner has been described vividly in literature. The improvement of cell uptake has been reported to be dependent on the presence of arginine and not on the secondary structure. Although many peptides are easily available, we are aiming at exploring synthetic alternatives, which are probably commercially more viable. A range of studies have shown that polymers with guanidine functionalities can indeed enhance cellular uptake. This approach holds great promise, although the potential toxicity of these cationic groups needs to be considered. In this work, we investigated a range of block copolymer micelles using three different types of cationic oligomers as potential cell penetrating moieties. Among them, two of these oligomers are based on the guanidine carrying amino acid arginine, but while one has a cationic charge, the other 2 oligomer has a zwitterionic structure (Figure 1). Furthermore, we looked into alternatives to simple PEG-based polymers coated with peptides. Albumin, which is abundant in the blood stream, has recently been tested as small-sized drug carriers. Although the results were promising, the real breakthrough was achieved when albumin was processed into nanoparticles. Recently, a new nano-formulation based on paclitaxel and albumin was approved in the hunt for cancer. Inspired by this work, we developed micelles coated with albumin. The surface coated particles were found to enhance the cellular uptake and leading to an increased activity of the anti-cancer drug.

Figure 1. Streptavidin microarray with immobilization of protein in the pores

References 1. M. H. Stenzel Chem. Commun 2008, 30, 3486. 2. Y. Kim, S. Binauld and M. H. Stenzel, Biomacromolecules, 2012, 13, 3418-3426. Keywords: Design of Efficient Core-Shell Nanoparticles based on Synthetic Peptides and Proteins for the Delivery of AntiCancer Drugs

325



Non–Aqueous Based Poly(Vinyl Alcohol) Proton Conducting Polymer Electrolytes With Addition Of Ionic Liquid S.Ramesh1, Chiam–Wen Liew2, A.K. Arof3 Centre for Ionics University of Malaya, Department of Physics, Faculty of Science, University of Malaya, Lembah Pantai, 50603 Kuala Lumpur, Malaysia Presenting author: [email protected] Ionic liquid–based poly(vinyl alcohol) (PVA) proton conducting polymer electrolytes were prepared by solution 1–butyl–3–methylimidazolium casting technique. PVA, ammonium acetate (CH3COONH4), bis(trifluoromethanesulfonyl)imide (BmImTFSI) were employed as host polymer, doping salt and ionic liquid, respectively. PVA has merit of being as host polymer due to its attractive properties, such as biodegradability, superior chemical stability, non–toxic, high hydrophilicity, excellent mechanical strength, good film forming properties as well as biocompatibility [1– 2]. Ammonium salt is the best choice as proton donor, whereas ionic liquid is a dopant to improve the ionic conductivity of polymer membrane. Ionic liquid offers several advantages, for example, environmentally friendly, wider electrochemical stability window, relatively high conductivity, negligible vapor pressure, high resistance to chemical substances and good thermal stability [3]. Ionic conductivity increases with ionic liquid mass fraction, up to a maximum value. The highest ionic -4 -1 conductivity of (2.16±0.01)×10 Scm was obtained with doping of 70 wt% of BmImTFSI. The improved conductivity with adulteration of ionic liquid is owing to the strong plasticizing effect of ionic liquid which associates with flexible polymer chains.

Figure 1: The ionic conductivity of PVA–based proton conducting polymer electrolytes with respect to the mass fraction of BmImTFSI. The polymer electrolytes obeyed Vogel–Tamman–Fulcher (VTF) behavior as proven in temperature dependence ionic conductivity study. The ionic liquid–based polymer electrolytes illustrated lower glass transition temperature and better thermal properties with higher amorphous degree. Electrochemical devices were then fabricated and analyzed. The electrochemical properties were further determined through various tests. References 1. M. Higa, K. Hatemura, M. Sugita, S. Maesowa, M. Nishimura and N. Endo, International J Hydrogen Energy 37, 6292–6301 (2011). 2. O. W. Guirguis and M. T. H. Moselhey, Natural Sci. 4, 57–67 (2012). 3. S. Ramesh, C.–W. Liew, K. Ramesh, J. Non–cryst Solids 357, 2132–2138 (2011). Keywords: Ionic Liquid, Proton Conductor, Poly (vinyl alcohol)

326



Sulfonated PAEK Membranes Embedding Mesoporous Benzene-silica for Enhanced Proton Conduction and Anti-dehydration J. Park, D. Kim School of Chemical Engineering, Sungkyunkwan University, Suwon, Kyunggi 440-746, Republic of Korea Presenting author: [email protected] In Polymer Electrolyte Fuel Cell (PEFC) systems, proton exchange membrane plays an important role [1-3] as a proton transport layer but fuel barrier. It is well-known that the commercial Nafion membrane has excellent properties such as high conductivity and high mechanical and chemical stability so that they are widely used. Nafion, however, also has some drawbacks in association with high fuel crossover, high cost, and poor properties at high temperature above 100 C. Its proton conductivity is reported to be decreased quite a lot at such high temperatures due to dehydration of the membrane. In this study, sPEEK based sulfonatedmesoporous benzene-silica composite membranes were prepared by casting method using N,N-dimethyl acetamide. Sulfonatedmesoporous benzene-silica (SMBS) was prepared with two position sulfonation. The ordered mesostructure and properties of SMBS were confirmed using transmission electron microscopy and nitrogen adsorption-desorption isotherm experiment. As the contents of SMBS increased, more SMBS particles were observed in polymer matrix without aggregation.SMBS worked like methanol barrier and lowest methanol permeability value was about 1.4% of Nafion 117. In addition, composite membranes had higher water uptake and lower dehydration rate than pristine sPEEK.Water uptake value was increased with SMBS contents in membrane. Increased water contents in membrane work like medium of ion transport and it made ion conductivity increased. Highest ion conductivity was -2

0.08233Scm and this value was 99.2% of Nafion. SMBS in composite membrane held water at high temperature. The results of ater uptake and dehydration rate showed that SMBS worksfor water storaging in polymer. This composite membrane could support high temperature operation or low humidity system for PEFC application.

References 1. R.F. Service, Science, 296, 1222 (2002). 2. R. Dillon, S. Srinvasan, A.S. Aricom, V. Antonucci, J. Power Sources, 127, 112 (2004). 3. V.Neburchilov, J. Martin, H.J.Wang, J.J. Zhang, J. Power Sources, 2007, 169, 221 (2007). Keywords: fuel cell, membrane, polymer, proton conduction, mesoporous materials

327



Novel Solid Polymer Electrolyte For Non-Flammable Lithium Ion Battery T. Sato1,3, T. Morinaga1, T. Kamijo1, K. Ohno2, Y. Tsujii2,3. 1 2

Tsuruoka National College of Technology, 997-8511, Tsuruoka, Japan Institute for Chemical Research, Kyoto University, 611-0011, Uji, Japan 3 JST-CREST, 102-0076, Tokyo, Japan Presenting author: [email protected]

Commercialized lithium-ion rechargeable batteries (LIBs) have several advantages, such as a high operating voltage, a high energy density and relatively good cycle durability. However, the use of a flammable and easily leaking liquid electrolyte is unavoidable in the present lithium ion cells. Recently, increasing interest has been directed toward ionic liquids (ILs) or room-temperature molten salts, which are non-volatile and non-flammable, for their possible use to energy devices [1] [2] including a LIB , an electric double layer capacitor (EDLC) and a dye-sensitized solar cell (DSC) . In this study, we have attempted an entirely new concept for the fabrication of a leak/vapor-free, non-flammable and solid electrolyte with a high ion-conductive channel as a continuous network. This was for the first time achieved by three-dimensionally/regularly self-assembling, in a crystal, the hybrid silica particles (PSiPs) with “concentrated” polymer brushes (CPBs) of ionic-liquid polymers in the presence of a small amount of ionic liquid (IL) as a plasticizer; the regular array of CPB-modified particles was expected to provide a polymer-brush domain three-dimensionally and continuously connected as a network channel, in which the chain ends of graft polymers would be concentrated near the boundary [3] region, expectedly enhancing the ion conduction by coupling with the segmental motion . We will present the preparation and physicochemical properties of this novel solid polymer electrolyte and its first successful application to a bipolar lithium-ion rechargeable battery operated at room temperature with a double operation voltage and a capacity at a level of mAh. It would open a new route to develop safe electrochemical devices for next generation.

polymer electrolyte coating Electrode Current collector

Figure 1: SEM images of a lithium ion battery electrode and PSiP/IL-solid electrolyte.

References 1. T. Sato, T. Maruo, S. Marukane, K. Takagi, J. Power Sources, 138, 253-261 (2004). 2. T. Sato, G. Matsuda, K. Takagi, Electrochim. Acta, 49, 3603-3611 (2004) 3. T. Sato , T. Morinaga, S. Marukane, T. Narutomi, T. Igarashi,Y Kawano, K. Ohno, T. Fukuda, Y. Tsujii, Adv. Mater. 23, 4868–4872 (2011). Keywords: lithium ion battery, ionic liquids, solid polymer electrolyte, living radical polymerization

328



Design And Synthesis Of Novel Conjugated Polymers For Use In Photovoltaic Cells. M. Jeffries-EL1, B. Kobilka1, M. Ewan,1 and B. Hale.1 1

Department of Chemistry, Iowa State University, 50011, Ames, IA USA Presenting author: [email protected]

Conjugated polymers posses many exceptional electronic, optical and thermal properties and thus are well suited for organic semiconducting applications, such as photovoltaic cells and light emitting diodes. Unfortunately, there are several issues that have to be addressed for practical development of products based on these materials. The electron-donating benzo[1,2-b:4,5-b′]dithiophene (BDT) moiety has been widely investigated for the synthesis of conjugated polymers due to [1-3] its planar conjugated structure that facilitates π−π stacking, leading to good charge carrier mobility. As a result, PCEs [2, 3] Recently, our group has investigated the use of the benzo[1,2approaching 8% have been obtained for BDT copolymers. [4,5] b:4,5-b’]difuran (BDF) as a building block for the synthesis of new conjugated polymers. In addition to the positive attributes of BDT, the smaller atomic radius of the oxygen relative to thiophene is expected to reduce steric hindrance between adjacent units, increasing planarity and conjugation. Consequently, BDF-containing conjugated polymers should possess smaller band-gaps than the related BDT-polymers. Additionally, our synthetic approach enables these monomers to be prepared in high yield, in a few short steps. Novel donor-acceptor copolymers can be synthesized by combining the BDF monomer with various electron deficient comomoners.

Figure 1: Generic structure of BDF donor-acceptor copolymers. References 1. 2. 3. 4. 5.

Y. Liang, Z. Xu, J. Xia, S.-T. Tsai, Y. Wu, G. Li, C. Ray, L. Yu, Adv. Mater. 22, E135 (2010). A. Najari, S. Beaupré, P. Berrouard, Y. Zou, J.-R. Pouliot, C. Lepage-Pérusse, M. Leclerc, Adv. Fun. Mater 21, 718 (2011). H.-Y. Chen, J. Hou, S. Zhang, Y. Liang, G. Yang, Y. Yang, L. Yu, Y. Wu, G. Li, Nat. Photonics 3, 649 (2009). B. M. Kobilka, A. V. Dubrovskiy, M. D. Ewan, A. L. Tomlinson, R. C. Larock, S. Chaudhary, M. Jeffries-El, Chem. Comm. 48, 8919 (2012). B. M. Kobilka, B. J. Hale, M. D. Ewan, A. V. Dubrovskiy, T. L. Nelson, V. Duzhko, M. Jeffries-El, Polymer Chem. In press (2013).

Keywords: conjugated polymers, organic semiconductors, photovoltaic cells

329



5-(Methacrylamido)Tetrazole And Vinyl Triazole Based Copolymers As Novel Anhydrous Proton Conducting Membranes D. Sinirlioglu1, A. E. Muftuoglu1, A. Bozkurt1 1

Department of Chemistry, Fatih University, 34500 Büyükçekmece, Istanbul, Turkey Presenting author: [email protected]

Polymer electrolytes that have ability to conduct protons at high temperatures have become crucial as the membranes for proton exchange membrane fuel cells (PEMFC) in anhydrous systems [1,2]. In this work, a novel copolymer based on 5(methacrylamido)tetrazole (MTet) and vinyl triazole (VTri) was prepared by conventional free-radical copolymerization at several monomer feed ratios to attain poly(VTri-co-MTet) copolymers. The copolymers were doped with H3PO4 to obtain 1 proton conductive copolymer electrolytes. The membranes were analyzed by FTIR, H-NMR, TGA, DSC, SEM, CV, and Impedance Spectroscopy.

Figure 1: Possible mechanism of proton transport, AC and DC conductivity of copolymers. 1

The compositions and molecular weights of copolymers were determined via H-NMR analysis. TGA demonstrated that the copolymers are thermally stable up to 220°C. DSC results illustrated both the homogeneity of the materials by the appearance of a single Tg and the plasticizing effect of the dopant. SEM analysis provided further evidence for the homogeneity of the membranes. CV results demonstrated that the stability window of P(VTri-co-MTet) is 3 V. The -1 -1 o membranes, P(VTri-co-MTet)(S1-S3) X=2, showed maximum proton conductivities of 0.012 Scm - 0.016 Scm at 150 C and anhydrous conditions. References 1. S.U. Celik, A. Aslan and A. Bozkurt, Solid State Ionics 179, 683 (2008). 2. P. Hongting, W Jie, W. Decheng and C. Zhihong, J.Membr. Sci. 322, 392 (2008). Keywords: 5-(methacrylamido)tetrazole, vinyl triazole, copolymer, polymer electrolyte, proton conductivity.

330



Bulk Heterojunction Organic Photovoltaics Based On Porphyrins Xiaobin Peng, Yuying Huang, Lisheng Li Institute of Polymer Optoelectronic Materials and Devices, State Key Laboratory of Luminescent Materials and Devices, South China University of Technology, Guangzhou 510640, China Xiaobin Peng: [email protected] Most natural photosynthetic systems utilize chlorophylls to absorb light and carry out photochemical charge separation to store energy, which provides all of our food and most of our energy resources. As the synthetically tractable analogues of chlorophylls, porphyrins have extensively π-conjugated systems, are amenable to fast electron transfer to acceptors, can absorb light with high molar absorption coefficients, and their properties can be tuned easily via synthetic modifications of the peripheries, which make porphyrins suitable for organic photovoltaic (OPV) studies. However, the studies on porphyrins bulk heterojunction (BHJ) OPVs have been less successful. In this study, a very typical acceptor 2,1,3-benzothiadiazole (BT) end-caped with 3-hexylthienyl (TBT) was linked by ethynylenes and directly to a porphyrin core to form 5,15-bis(7-(4-hexyl-thiophen-2-yl)-2,1,3-benzothiadiazole-4-ylethynyl)-10,20-bis(3,5-di(dodecyloxy)-phenyl)-porphyrin zinc (DHTBTEZP) and 5,15-bis(7-(4-hexyl-thiophen-2-yl)-2,1,3benzothiadiazole-4-yl)-10,20-bis(3,5-di(dodecyloxy)-phenyl)-porphyrin zinc (DHTBTZP), respectively. The solution processed OSC using the blend of DHTBTEZP with phenyl C71-butyric acid methyl ester (PC71BM) exhibited a promising performance with a PCE up to 4.02%. However, the OSC of DHTBTZP with PC71BM showed much lower performance with a PCE of 0.71%. This study shows that the performance of porphyrin-based OSCs could be significantly improved upon the suitable 1 molecular design, indicating that porphyrins are promising for the application in BHJ OSCs.

S N N

C6H13

OC12H25 S N N

N

N Zn N N

S

C12H25O

C6H13 S

OC12H25

DHTBTEZP C12H25O S N N

C6H13 S

N N

C12H25O

OC12H25

Zn

N

S N N

N

S C6H13

Current Density (mA/cm 2)

C12H25O

OC12H25

0

-5

DHTBTZP/PC71BM

-10

DHTBTEZP/PC71BM -0.2

0.0

0.2

0.4

0.6

0.8

1.0

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DHTBTZP

Figure 1: (Left) Chemical structures of DHTBTEZP and DHTBTZP, and (right) J–V curves of the OSCs of DHTBTEZP and -2 DHTBTZP/PC71BM under AM1.5G illumination (100 mW cm ). Reference 1. Y. Huang, L. Li, X. Peng, J. Peng, and Y. Cao, J. Mater. Chem., 22, 21841–21844(2012)

Keywords: Bulk Heterojunction, Organic Photovoltaics, Porphyrin

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DOW Automotive Systems 2K Polyurethane Technology: From SemiStructural Add-On Bonding Towards Structural Composite Assembly A. Lutz, S. Schmatloch The DOW Chemical Company, DOW Europe GmbH, Bachtobelstrasse 3, 8810 Horgen, Switzerland Multi-material design in automotive manufacturing has been a clear trend towards achieving optimum lightweight results and improved design freedom, while maintaining crash safety. Structural adhesive bonding as a unique joining technique combined with DOW Automotive Systems´ technology now paves the way for the implementation of particularly carbon fiber re-enforced composite materials into modern vehicle design. DOW Automotive Systems offers a versatile two part polyurethane adhesive portfolio that serves different design intents based on large variation of material properties, such as modulus, elongation at break, ultimate bond strength and curing speed. Furthermore, stable bulk properties over a large temperature range, matching the relevant operation temperatures of a vehicle, guarantee a long lasting joint Tailor made working times, combined with rapid curing provides freedom to the process design: Slow curing materials enable large area assembly also in manual application. Fast curing materials with the option of further heat acceleration provide almost immediate handling strength for fast OEM production processes. A complementary portfolio of pretreatment systems, offers also solutions for composite substrates, which are difficult to be bonded. The presentation gives an insight in DOW Automotive Systems two part polyurethane adhesive technology, provides an overview of the portfolio, lists applications in the area of composite bonding and provides an outlook for the future of structural adhesive assembly of composites in the automotive industry. Keywords: Structural adhesive, Polyurethane Technology,

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Elaboration Of Synthetic Wood Starting From Lignin Extracted From Peat Harold Andrés Salamanca Ortiz, Andrea Catalina Rodríguez Murcia, Jesús Álvaro Jimenez Montoya 1

Affiliation one, 111011, Bogotá, Colombia Affiliation two, 111711, Bogotá, Colombia 3 Affiliation three, 111711, Bogotá, Colombia Presenting author: [email protected] 2

Wood products demand has led to overuse of trees on forests. This leads to propose alternatives to replace the industrial use of natural wood by ecological wood obtained from reaction between raw material as resins and lignin used as support. Procedure was made in three stages. First one was to extract lignin by Sosa Method. The second stage was lignin depolymerization by UV action and posterior structural modification in order to increase reactivity points. Third stage was to find a resin with best coupling action with modified lignin. It was formaldehyde melanine so it was coupled with modified lignin in 2:1:1 relation for melanine:formaldehyde:lignine respectively using rice hulls as natural fiber. [1]. In order to optimize the process formerly presented, second stage is being reappraised changing depolymerization method with UV action by depolymerization with lacasas enzymes that come from white decay mushrooms as Pleurotus Ostreatus. Enzyme function on nature is depolymerize lignin inducing natural wood decay. Reaction mechanism happens when lacasa is oxidize due to present molecular oxygen. Later, this enzyme may oxidize a mediator that when it gets in contact with lignin take position inside of its three-dimensional web and generates an oxidation on their functional groups. By means of this reaction the structure is broken in phenolic units. It has been proved that utilization of 2,2´-azino-bis-3ethylbenzotyazolin-6- sulfonic acid (ABTS) increases lignin depolymerization levels [2], so it generates a reactivity increase in order to optimize coupling with polymeric resin and generate a wood product with better mechanical properties. References 1. Gordillo, B. y Vega, M., Despolimerización e hidroximetilación de la lignina extraída a partir de turba y el aprovechamiento del producto como aglomerante en la producción de madera sintética (Bogotá D.C., 2010). 2. González, K., Arévalo, M., Falcón, M., X Reunión de la Red Temática Biodegradación de Lignina y Hemicelulosa (Salamanca, 2007).

Keywords: lignin, resin, polymerization, wood, ecology

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Bıosorptıon Hydrocarbons (Oıl) And Heavy Metals (Hg, Pb And Cd) Through The Use Of Human Haır Christian David Sánchez Barinas1, Jaidith Marisol Ramos Riaño2 1 Christian David Sánchez Barinas 2 Jaidith Marisol Ramos Riaño

ABSTRACT Global water sources are being polluted considerably due to the technological and industrial advancement of countries: a clear example is during the extraction, transportation and use of oil; spills occur in different magnitudes greatly contaminating seas and rivers, as happened with British Petroleum in the Gulf of Mexico in 2010 (1); another case is the open pit mining primarily affecting developing countries, polluting effluents with mercury which, when carried to rivers, becomes methyl-mercury. All this pollution destroys life in water sources; oil obstructs the passage of light, thus interfering with photosynthesis and water oxygenation; methyl-mercury is stored within aquatic organisms, becoming toxic as it biomagnifies in the food chain. From there on is derived the importance of treating and eliminating, to the maximum extent possible, these compounds without generating counterproductive impact upon water sources. Based on preliminary observations arises the option of using human hair (natural bio-polymer)(2), since it has great affinity for mercury compounds because alpha keratin has cysteine monomers in addition to having interstitial spaces for considerably retaining hydrophobic substances. Therefore, the aim of this study is the initial assessment of hair sorption as sorbent in the removal of hydrocarbon compounds and heavy metals from aqueous solutions using the discontinuous method (batch), utilizing variables such as the amount of bio-sorbent, pH, hydrocarbon concentration and time of contact in order to assess the removal percentages. Equilibrium data are assessed according to Langmiur and Freundlich models.

Keywords: adsorption isotherms, oil, heavy metals, environment.

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An İnvestigation Of Photonic Behavior Of 6-Nitro-1,' 3,'3'-Trimethylspiro[2H1-Benzopyran-2,2'-İndoline] Zaharah Wahid1, Najiah Nadir1, Mohamad Zahid Abdul Malek2, Mat Tamizi Zainuddin2, Noor Zalikha Mohamed Islam2 1 Zaharah Wahid, Dept of Science, Kulliyah of Engineering International Islamic University Malaysia, Kuala Lumpur, Malaysia1 2 Najiah Nadir, Dept of Science,Dept of Science, Kulliyah of EngineeringInternational Islamic University Malaysia, Kuala Lumpur, Malaysia1 3 Mohamad Zahid abdul Malek, Photonic & Electronic Material program, Advanced Materials Research Centre (AMREC), SIRIM Berhad, KUlim Kedah, Malaysia2 4 Mat Tamizi Zainuddin, Photonic & Electronic Material program, Advanced Materials Research Centre (AMREC), SIRIM Berhad, KUlim Kedah, Malaysia2 5 Noor Zalikha Mohamed Islam, Photonic & Electronic Material program, Advanced Materials Research Centre (AMREC), SIRIM Berhad, KUlim Kedah, Malaysia2 Abstract Among many types of photochromic molecules, Spiropyran has gained much attention due to its promising potential commercial application. In order to thoroughly understand its photochromic behavior, it is crucial to determine the effect of the variables that influence the absorption and intensity of the wavelength before and after UV irradiation. Thus, this paper presents an experimental technique to investigate the influence of solvent polarity and dye concentration variables on 6-nitro-1’,3’,3’-trimethylspiro[2H-1-benzopyran-2, 2’] (6-Nitro BIPS). Fractional factorial experimental design was employed in this study. Three variables at 2-level setting were used. The variables levels were fixed. Analysis of variance (ANOVA) was used in the analysis of the experimental results. This investigation also explores and evaluates the interaction between the concentration and solvent variables. The interaction between the wavelength and the intensity variables were also examined. Detailed investigation on the chemical mechanism of the reaction or behavior of the photo transformation of 6-Nitro BIPS will also be discussed

Keywords: Fractional factorial, Anova, 6-nitro BIPS, solvent, concentration, UV irradiation,

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Fuel Consumption Of Gasoline Ethanol Blends At Different Engine Rotational Speeds. Y.Barakat1, V.Ibrahim*1, Ezis N. Awad1 and M.Y.El-Kady2. 1- Egyptian Petroleum Research, Instititute (EPRI), Egypt. 2- Faculty of Science- Ain Shams University, Egypt. Presenting author: [email protected] Fuel consumption (mf kg/hr) was estimated for two hydrocarbon gasolines (BG1-OE and BG2-OE) and their ethanol blends which contain from 4 to 20 volume % of ethanol. Fuel consumption experiments for sixteen fuel samples (5L each), were conducted on a four cylinder, four stroke spark ignition test vehicle Sahin car, Type 1.45, model 2001. The engine has a swept volume of 1400 c.c., a compression ratio of 8.3 : 1 and a maximum power of 78 HP at 5500rpm. The obtained data reveal that the relation between fuel consumption and ethanol concentration is linear Six linear equations for BG 1ethanol blends and BG2-ethanol ones at the investigated rotational speeds, were developed. Fuel consumption values of the first set of gasoline-ethanol blends are relatively lower than that of the second set. This may be attributed to the difference in the chemical composition of base gasolines BG1 in the first set which is enriched in the less volatile reformate if compared with the second set which is more enriched in isomerate, the more volatile refinery stream. Key words : Mid-level ethanol blends, fuel consumption rate, Chemical compostion and consumption- Some developed equation relating consumption and ethanol concentration. * Corresponding author Tel : 0222745902; Fax : (202) 22747433 E-mail address: [email protected]

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The First Efficient Synthesis and Structural Characterization Hangman Corroles for Electrochemical Water Oxidation, Clean Energy Through Chemistry / Evolution CETC-O-04

/ ORALPorphyrins PRESENTATIONS of13.08.2013 MetalloHangman and Oxygen Reduction, and Hydrogen 10:15-12:15 / PARALLEL SESSIONS-4

An attractive approach to meeting the energy demands of a growing global population is to capture solar energy and store it in the form of chemical fuels. A prevailing solar-to-fuels process is the splitting of water to produce hydrogen, which may be used directly or combined with a carbon source such as carbon dioxide to produce a more conventional fuel. The water splitting process is a four electron/four proton process, thus providing an imperative for the discovery of new catalysts that bridge the one-photon-one electron capture process to the multielectron- multiproton process of water splitting. Here we show the first time the synthesis of the catalyst, cobalt(III) hangman β-octafluoro corrole bearing pentafluorophenyl substituent on the 5, 10 meso positions, and prove that it is an active water splitting catalysts. When the catalyst is immobilized in Nafion films, the turnover frequencies for the 4 e– / 4 H+ process at the single cobalt center of the hangman platform approach 1 s–1. The pH dependence of the water splitting reaction suggests a 2 e– / 3 H+ event in the catalytic mechanism. The four-electron four-proton activation of the O–O bond of oxygen at high efficiency is a technological consequence for the replacement of platinum at the cathode of proton exchange membrane fuel cells. At a fundamental level, the oxygen reduction reaction (ORR) provides mechanistic insights for promoting the reverse reaction, water splitting, which is central to the storage of solar energy. Porphyrins, corroles are prominent catalysts for the ORR and are known to promote the reaction with appreciable efficiency. Previously Hangman porphyrins (HP) and Hangman corrole (HC) syntheses were lengthy because the total syntheses required 14 steps from pyrrole and xanthenes backbone, and gave only 4% isolated yield. We have developed new methodology for the synthesis of HP and HC. The advantages of the new route includes (i) short synthesis (2 steps from macrocycle forming reaction), (ii) higher yields (x8), and (iii) applicable to a variety of meso-substitution patterns. In this study, we examined the ORR properties of cobalt hangman porphyrins (CoHP) and cobalt hangman corroles (CoHC). In the hangman architecture, an acid/base group is positioned over the face of the macrocyles. By constructing a library of mesosubstituted catalysts, we show that ORR is profoundly affected by the electronic properties of the macrocycles. In addition, we immobilize the macrocycles on multiwall carbon nanotubes (MWCNT) and find that the high surface area and attendant catalysts loadings offered by MWCNT engender high current densities for ORR. Our study shows that both CoHP and CoHC bearing three pentafluoro-phenyl meso substituents reduces oxygen by a 4-electron process, producing 85% and 67% water as the major product, respectively. Our investigation establishes that two metal centers are not exclusively necessary to reduce oxygen to water. In addition, the pre-organization effect of the hanging group is a viable route to promote the 4-electron reduction of oxygen, provided that the metal-based redox couples are sufficiently positive. Solar-driven hydrogen production requires the efficient catalysis of the hydrogen evolution reaction (HER). The availability of proton-coupled electron transfer (PCET) pathways is unavoidably central to the proper management of this multi-electron, multi-proton reaction. Thus, in the construction of an HER catalyst, design elements that facilitate this coupling are highly desired. We have been shown that the presence of proton relays in the second coordination sphere of a metal-based catalyst leads to enhanced catalytic HER efficiency. More specific, cobalt and nickel hangman porphyrins with a pendant carboxylic acid group positioned above the redox-active macrocycle were found to be better electrocatalysts than the corresponding non-hangman complexes. We report kinetic studies with both hangman and non-hangman systems to reveal the precise PCET pathway involved in the formation of a key CoIIH intermediate, which leads to electrocatalytic hydrogen generation and probe the ability of an internal proton relay in providing a facile proton transfer from the hanging group to the metal centre. Furthermore, we calculated the first time the associated standard electron transfer and proton transfer rate constants for a PCET controlled HER process. Our studies highlight the utility of proton relay groups in PCET reactions that are central to energy conversion processes, especially the HER.

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Coal Based Power Generation And The Imperatives Of Clean Coal TechnologyA Study Of Nigeria Coal-Based Independent Power Projects Enebe .C.C Department of Chemical Engineering, Institute of Management and Technology IMT, Enugu, Nigeria [email protected] Using Nigeria as a yardstick, this work studies the global need to pursue and advance clean coal technology including coal washing, scrubbing (desulphurization), use of low Nitrogen burners, gasification etc. to circumvent the inevitable damage of fossil fuel emissions from coal use to the environment while enhancing coal efficiency and use. Coal generates half of the electricity in the United States and will likely continue to do so as long as it is cheap and plentiful (energy Information Administration). Ingredients of coal are used in making plastics, tar, fertilizers etc. A coal derivative, a solidified carbon called coke melts iron ore and reduces it to create steel. Most coal – 92% of US supply of coal goes into power production. Poland is said to have 87% coal based electricity, Kazakhstan 75%, Czech Republic 51% and USA about 50%. Apparently, global coal utilization is quite significant and unlikely to change soon Coal plants constitute top source of CO2 emissions, the primary cause of global warming. In 2011, utility coal plants in the United States emitted a total of 1.7 Billion tons of CO2. A typical coal plant generates 3.5 million tons of CO2 per year. A typical coal plant with emission control including selective catalytic reduction technology, emits 3.300 tons of NOx per year. Coal emission are also a leading cause of smog, acid rain and toxic air pollution. Alternative sources of energy other than coal are only desirable as they are considered not to be either naturally or economically sustainable. Accordingly some developing countries like Nigeria are restoring to coal for alternative or supplementary sources of energy. Coal has come to stay and the world has a responsibility to promote clean coal technology to significantly reduce the inevitable damages of coal emission to the environment if unchecked. REFERENCES: 1. 2.

Keywords: Clean Coal Technology, Energy, Power Generation, Power Projects

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Anderson A (1979) Chemistry for Engineering and Applied Sciences, 2 Ed, Pergamon Press, Oxford, UK. Onwu .D.O (1999) Coal Fundamentals and Conversion Technology, Immaculate Publications Enugu.



New Sensitizers For Dye Sensitized Solar Cells Sajida Noureen1, Stefano Caramori2, Antonio Monari3, Xavier Assfeld4, Carlo A Bignozzi5, Marc Beley6, Philippe C Gros7 1

Sajida Noureen, Department of Chemistry, The Islamia University of Bahawalpur, Pakistan 2 Stefano Caramori, Department of Chemistry, University of Ferrara, Italy 3 Antonio Monari, group Chimie et Biochimie Théoriques, SRSMC, Universite de Lorraine, France 4 Xavier Assfeld, group Chimie et Biochimie Théoriques, SRSMC, Universite de Lorraine, France 5 Carlo A. Bignozzi, Department of Chemistry, University of Ferrara, Italy 6 Marc Beley, PHOTOSENS/HECRIN-UMR, SRSMC, Universite de Lorraine, France 7 Philippe C. Gros, PHOTOSENS/HECRIN-UMR, SRSMC, Universite de Lorraine, France

Dye-sensitized solar cells (DSSCs) based on mesoporous nanocrystalline TiO2 films have attracted significant attention as low cost and efficient photovoltaic devices (8-11%). The principle of these cells is based on electron transfer via sensitizers which are generally photo excitable coordination complexes, attached to semiconductor (TiO2) surface. Charge recombination is a key loss factor that reduces performance because of the insufficient separation of charge between the oxidized dye and the surface of the semiconductor. So, achievement of charge separation is important to decrease the injected electron recombination process. In the present work, new bipyridine ligands bearing electron-donating dithienylpyrroles (DTP) were synthesized and their homoleptic, bis- and tris-heteroleptic Ruthenium complexes were prepared. All new compounds have been characterized using spectroscopic techniques, electrochemistry, photophysics and computational chemistry. Efficiency of two heteroleptic complexes has been checked in DSSCs. An excellent solar harvesting was found but efficiencies were found lower than those of standard dyes. The bulky DTP moiety could impede an efficient access of the mediator to Ru(III) centers.

REFERENCES: Sajida Noureen, Stefano Caramori, Antonio Monari, Xavier Assfeld, Roberto Argazzi, Carlo A. Bignozzi, Marc Beley and Philippe C. Gros (2012), Strong π -delocalization and substitution effect on electronic properties of dithienylpyrrolecontaining bipyridine ligands and corresponding ruthenium complexes. Dalton Transactions, 41, 4833. Keywords: Photovoltaic, sensitizer, solar cells, delocalization, Ru complexes

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ADVANCED PULSE EPR SPECTROSCOPY AND DFT INVESTIGATIONS OF BIOMIMETIC AND BIOINSPIRED MODEL COMPLEXES OF THE [2Fe]H SUBCLUSTER IN THE [FeFe] HYDROGENASE ACTIVE SITE Ö. F. Erdem1, E. J. Reijerse1, S. Ott2, M. Y. Darensbourg3, W. Lubitz1 1

Max-Planck-Institute for Chemical Energy Conversion, 45470, Muelheim an der Ruhr, Germany; 2The Ångström Laboratory, 75120, Uppsala, Sweden;3Texas A&M University, 77843, College Station, USA Presenting author: [email protected] [FeFe] hydrogenases are the most active enzymes in hydrogen conversion. Their active site, the H-cluster, contains a [2Fe]subcluster coordinated by CO and CN ligands, as well as a bridging aza-dithiolate. This sub-site is intensely studied and taken as model for the development of inorganic hydrogen conversion catalysts with low over-potentials and mild acidic conditions [1]. Investigation of such model compounds by means of advanced EPR spectroscopy along with the corresponding DFT studies [2-4] enables to identify how the spin density is distributed over the irons and which role the various components play in the stabilization of the compound in the different states of the catalytic cycle. In this presentation several examples of EPR studies will be shown for several model compounds in Hox and Hox-CO states [2-4], of 31 which two are displayed in Figure 1. By means of orientation-selective P ENDOR (Figure 1A) we show that in both 10 11 compounds most spin density is localized on the distal Fe and its phosphine ligands. For compound 2, using B/ B HYSCORE measurements (Figure 1B), we found very little spin density localized on the carborane unit which is explained by its strong electron deficiency. Accordingly, the diphenyl groups carry most of the spin density and therefore help to stabilize I II the compound in its [Fe Fe ] state. Overall, the detailed EPR investigations supported by DFT analysis provide important information about how to construct such model compounds with a high efficiency under mild conditions that will help to develop better catalysts. References 1. C. Tard, C. J. Pickett, Chem. Rev. 109, 2245 (2009); F. Gloaguen, T. B. Rauchfuss, Chem. Soc. Rev. 38, 100 (2009). 2. Ö. F. Erdem, L. Schwartz, M. Stein, A. Silakov, S. KaurGhumaan, P. Huang, S. Ott, E. J. Reijerse, W. Lubitz, Angew. Chem. Int. Ed. 50, 1439 (2011). 3. C.-H. Hsieh, Ö. F. Erdem, S. D. Harman, M. L. Singleton, E. Reijerse, W. Lubitz, C. V. Popescu, J. H. Reibenspies, S. M. Brothers, M. B. Hall, M. Y. Darensbourg, J. Am. Chem. Soc., 134, 13089 (2012). 4. M. Karnahl, S. Tschierlei, Ö. F. Erdem, S. Pullen, M. Santoni, E. J. Reijerse, W. Lubitz, S. Ott, Dalton Trans., 41, 12468 (2012). Keywords: EPR, Moessbauer, Spectroscopy, DFT, Hydrogenase

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A Solid-State Sensor Based On Poly(2,4,6-Triaminopyrimidine) Film Doped With Gold Nano-Particles For Biological Applications Emad Khudaish1, Fakhra Alnofli1, Salim Alharthi2 1 Sultan Qaboos University, Chemistry Department, Muscat, Oman 2 Sultan Qaboos University, Physics Department, Muscat, Oman

Abstract A poly(2,4,6-triaminopyridimine) film was deposited at a glassy carbon electrode by repetitive potentiodynamic scans between +200 and +1800 mV in 0.1 M HClO4. Gold nanoparticles were doped at the polymeric film and the electrochemical behavior of the resulting sensor was applied for the simultaneous and selective determination of dopamine, ascorbic acid and uric acid in phosphate buffer solution (pH = 7.28). The sensor showed a substantial reactivity and higher sensitivity in the oxidation of dopamine in which the detection limit was dropped to 60 nM regardless of the large interference capacity associated by the presence of both AA and UA molecules. Thermodynamic and kinetics parameters for the oxidation of DA (diffusion coefficient and the rate constant) were estimated using various electrochemical theories.

Keywords: Electrochemical polymerization, gold nanoparticles, dopamine, ascorbic acid, uric acid

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MODIFICATION OF SMALL MOLECULE CHEMICAL CONTAMINANTS FOR IMMUNOCHEMICAL DETECTION* Ö. Ertekin1, B. Güloğlu1, Ş. Pirincci1, S. Tuğlu1, T. Kaymak2, S. Öztürk1 1 TÜBİTAK Marmara Research Center, Genetic Engineering and Biotechnology Institute, 41470, Kocaeli, Turkey Presenting author: [email protected] Antibody based diagnostic systems are widely used in the diagnosis of human, plant and animal pathogens as well as the detection of contaminants in food, feed, water, soil and air [1]. Production of antibodies as a core component of these systems requires the immunization of a subject animal and achieving an immune response. Immune response is a critical parameter not only in the development of detection systems but also in the development of therapeutic agents and diagnostic systems. The nature of the immune response raised by the experimental animal strongly depends on the nature of the immunized antigen. In order to get a proper antibody response, the antigen to be immunized should be immunogenic [2]. Haptens are the small molecular weight molecules ( 96%). The proposed method was successfully applied to the determination of Cr(VI) and Pb(II) at ultra-trace levels in natural drinking water, industrial effluents waste water of Denizli. Moreover, proposed method was compared with literature reported method.

Figure 1: MIS-FAAS and Influence of sample pH for DLLME at 40 mL initial volume of water samples, 0.25% APDC, 100 µL -1 CCl4, 1.00 mL of ethanol and 0.01 mg L Cr(VI)/Pb(II) References 1. J.A. Baig, A. Hol, A. Akdogana, A. A. Kartal, U. Divrikli, T. G. Kazi, and L. Elci, J. Anal. At. Spectrom. 27, 1509 (2012). 2. Keywords: DLLME, hexavalent chromium, lead, drinking water, industrial effluent

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Sugar-Derived Amine Catalyzed Intramolecular Diels-Alder Reactions Tony K M Shing, Ho T. Wu, Kwun W. Wu The Chinese University of Hong Kong Metal-based enantioselective catalysis has been the influencing methodology over the last 50 years It was not until seminal works reported by List and Macmillan on chiral secondary amine catalysis revealed the amazing prospect of this approach and exponential attention has since been obtained. Existing chiral amines were prepared from L-proline (for pyrrolidine type catalysts) or L-phenylalanine (for MacMillan’s imidazolidinone catalysts). Modification of MacMillan’s catalysts could not be performed on the phenyl group of the amino acid whereas modification of proline was possible on the acid functionality and afforded a series of diaryl prolinol derivatives. However, reactions catalyzed by diary1 prolinols could be sluggish due to the bulky diaryl substituents and the corresponding mono-aryl prolinol derivatives are not readily accessible. The objective of our research is to prepare chiral pyrrolidines from carbohydrates with a mono-aryl group that would complement diary1 prolinol-catalysis as well as imidazolidinone-catalysis. The electron-demand of the ary1 groups could be controlled using a different substituent on the phenyl ring. Arabinose is chosen to be the starting material since it is available in large quantities in both enantiomers at a reasonable price. A series of chiral amine catalysts bearing different aromatic groups were synthesized via simple and effective protocol from D-arabinose. The reaction sequence involves acetonation, imination, alkylation and hydrogenolysis. These catalysts were used in asymmetric intramolecular Diels-Alder (IMDA) reactions. Their chiral induction and catalytic effectiveness in IMDA reactions were assessed and are addressed in the lecture. Keywords CARBOHYDRATES; ORGANOCATALYSIS; CHIRAL AMINES, DIELS-ALDER REACTIONS

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A Simple And Convenient Preparation Of Novel Bio Active Poly Substituted Quinolines* S. Ökten1, O.Çakmak2, R. Erenler3, S. Duman3, M. Çınar3, T. Köprülü4, Ş. Tekin4

1

Department of Primary Education, Division of Science Education, Faculty of Education, Kirikkale University, 71450, Kirikkale, Turkey 2 Department of Chemistry, Faculty of Art and Science, Yildiz Technical University, Davutpasa, İstanbul, 34210, Turkey 3 Department of Chemistry, Faculty of Art and Science, Gaziosmanpasa University, 60240, Tokat, Turkey 4 Department of Molecular Biology and Genetic, Faculty of Art and Science, Gaziosmanpasa University, 60240, Tokat, Turkey Presenting author: [email protected] Quinoline bromides constitutes a key structural component of numerous compounds with metal-halogen exchange and couplings [1-2]. In this study, a short and convenient route was described for 6,8- disubstituted quinoline and tetrahydroquinoline via substitution reactions. Cupper promoted substitution reaction and aromatization of 6,8-dibromo1,2,3,4-tetrahydroquinoline (6,8-DiBrTHQ, 2) gave mono methoxides (4, 5). On the other hand, treatment of 6,8dibromoquinoline (3) with n-BuLi followed by trapping by electrophiles [Si(CH3)3Cl, S2(CH3)2, and DMF] efficiently afforded corresponding 6,8-disubstituted quinolines. Bromination reactions of 8-hydroxy-, 8-methoxy- and 8-amino- quinolines (6) resulted in the formation of 7, 8 and 9. While the reaction of both 8-hydroxy- and 8-aminoquinoline (6) with two equivalent of bromine gave corresponding 5,8-dibromquinolines 8, 8-methoxyquinoline (6) gave 5-bromo-8-methoxyquinoline (9) at the same conditions.

Scheme 1: Synthesis of 6,8- disubstituted quinolines and bromination of 8-substituted quinolines * This study was supported by grants from the Scientific and Technological Research Council of Turkey (TUBITAK, Project number: 112T394) References 1. S. Ökten, O. Çakmak, R. Erenler, Ö. Yüce, and Ş. Tekin, Turkish J. Chem, Accepted for publication, (2013). 2. J. Lindley, Tetrahedron, 40, 1433 (1984). 3. A. Sahin, O. Cakmak, I. Demirtas, S. Okten, and A. Tutar, Tetrahedron, 64, 10068-10074 (2008). Keywords: Quinoline, Bromination, Subtitution

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New Total Synthesis And Antibacterial Evaluation Of (±)-7-Butyl-6,8Dihydroxy-3-Pentyl-3,4-Dihydroisochromen-1-One R. Hummera1, S. Aamer2 1

Department of Chemistry, University of Gujrat, Gujat-50700, Pakistan

2

Department of Chemistry, Quaid-i-Azam University, 45320, Islamabad, Pakistan Presenting author: [email protected]

A new total synthesis of (±)-7-butyl-6,8-dihydroxy-3-pentyl-3,4-dihydroisochromen-1-one isolated from as Renantiomer from Geotrichum sp. has been described. Reaction of 4-butyl-3,5-dimethoxy-homophthalic anhydride with hexanoyl chloride in the presence of 1,1,3,3-tetramethyl guanidine (TMG) and triethyl amine afforded the 7-butyl-6,8dimethoxy-3-pentyl isocoumarin which was converted into corresponding 3,4-dihydroisocoumarin by successive ring opening and reduction. Final demethylation to furnish the natural product was achieved of using anhydrous aluminum chloride in ethanethiol. The target compound and the intermediates were subjected to antibacterial evaluation against ten bacterial strains using levofloxacin as standard. References K. F. Devienne, A. F. Calgaro-Helena, D. J. Dorta, et al. Phytochemistry. 68, 1075-1080 (2007). D.Engelmeier, F. Hadacek, O. Hofer, G. L. Kutschera, M. Nagl, G. Wurz, H. Greger, J. Nat. Prod. 67, 19-25 (2004). K. L. Guimaraes, J. D. Souza-Filho, T. R. Mares-Guia, F. C. Braga, Phytochemistry. 69, 439-444 (2008). A. Saeed, Z. Ashraf, H. Rafique, J. Asian Nat. Pro. Res. 13, 97-104 (2011). P. Kongsaeree, S. Prabpai, N. Sriubolmas, C. Vongvein, S. Wiyakrutta, J. Nat. Prod. 66, 709-711 (2003). Keywords: Isochromen-1-one, Geotrichum sp., 3,5-dimethoxy-4-butylhomophthalic acid, antibacterial.

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Photochemistry Of 1-Acylaminoanthraquinones Sarah J. Schmidtke Sobeck

The College of Wooster Department of Chemistry, 943 College Mall, Wooster, OH 44691 * e-mail: [email protected], phone: (330)263-2359 1-Acylaminoanthraquinones serve as models for biological systems with intramolecular hydrogen bonds between adjacent carbonyl and amino groups. Upon photo-excitation the anthraquinone may undergo a proton transfer from the amino to the carbonyl group dependent upon the solvent and properties of the solute. Our studies seek to gain a fundamental understanding of the impact of structure and solvent environment on the photochemistry of these systems. This can aid in our understanding of a potential type of photo-induced mutation in biological macromolecules. Updated syntheses were applied to make the anthraquinone derivatives, providing easier sample purification relative to past methods. The acyl substituent are varied to tune the extent of excited state proton transfer observed, ranging from a nearly complete charge transfer to no charge transfer. The proton transfer is traced through fluorescence spectroscopy, as both the locally excited state and charge transfer tautomer are fluorescent. Temperature-dependent fluorescence spectroscopy is used to evaluate the reaction thermodynamics in a series of solvents to assess the impact of solvent interactions upon the proton transfer. Transient absorbance spectra allow the excited state dynamics to be directly followed. Extrapolating rate constants from the transients provides the basis for a kinetics scheme for the excited state photochemistry in the presence and absence of proton transfer. The thermodynamics and kinetics studies together provide a more complete understanding of factors that impact the photochemical properties of the anthraquinone derivatives, specifically the ability of the system to undergo excited state intramolecular proton transfer. Keywords: photochemistry, ultrafast spectroscopy, solvent effects, proton transfer

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Impact Of Esterification And Thionation On The Photochemistry Of ParaAminobenzoic Acid Sarah J. Schmidtke Sobeck The College of Wooster Department of Chemistry, 44691, Wooster, OH U.S.A. e-mail: [email protected] The physicochemical properties of a series of para-aminobenzoic acid (PABA) compounds with variations at the electronaccepting moiety are being studied. Following photoexcitation PABA derivatives may undergo an intramolecular charge transfer (ICT) resulting in the formation of a zwitterionic species. The present study compares the photochemistry of the parent acid relative to ester and thionoester derivatives. The thermodynamics and kinetics of photo-induced processes are measured using temperature- and time-dependent spectroscopy. The measurements are carried out in a range of solvents, with varying intermolecular interactions, to assess the impact of solvent-solute interactions on the photochemistry. Quantum calculations complement experimental work by allowing visualization of electron density changes upon photoexcitation and structural differences between derivatives. The reaction is observed to be the least favorable for the thionoester derivative, and the thermodynamic driving forces for the ICT varies depending upon the solvent and electronaccepting moiety. Time-resolved spectra reveal different excited state dynamics in those solvents, such as methanol, that have the ability to form strong specific solvent-solute interactions relative to those with weaker intermolecular interactions. The studies provide a richer understanding of the role of molecular substituents and solvent upon the reactivity of small organic molecules, providing a stepping-stone to understanding the chemistry of more complex biological and materials systems.

Figure 1: Schematic for the charge transfer reaction in PABA derivatives (left) and a representative transient absorbance spectrum. Keywords: photochemistry, electron transfer

351



Semiempirical (NDDO) Born-Oppenheimer Molecular Dynamics Of Biomolecular Systems A. Marion1,2, F. Ingrosso1,2, G. Monard1,2 1

SRSMC UMR 7565, Université de Lorraine, BP 70239 - 54506 Vandoeuvre-lès-Nancy, France 2 SRSMC UMR 7565, CNRS, BP 70239 - 54506 Vandoeuvre-lès-Nancy, France Presenting author: [email protected]

Developing theoretical models and computational methods to achieve a molecular description of a system in which the quantum chemical nature of the intra- and inter-molecular interactions plays an important role is indeed a challenge, when the number of degrees of freedom is large and meaningful statistics are necessary to model the phenomenon of interest. Although outstanding progress has been made in the past decades in performing molecular dynamics (MD) simulations with density functional theory based methods to include the quantum nature of the electrons, long time scales and/or systems containing a large number of atoms still demand very high computational costs. A reasonable compromise is represented by using a lower level of quantum chemistry to model the electronic Hamiltonian. In particular, NDDO (Neglect of Diatomic Differential Overlap)-based semiempirical methods are particularly appealing, since they can be reparametrized and improved. We recently developed a new scheme allowing us to perform reasonably long MD simulations (up to a few nanoseconds on commodity computer) of large biomolecular systems (i.e, 500-1000 atoms) with a full quantum chemical description of the electrons at a semiempirical (NDDO) level of theory, the so called SEBOMD [1] methodology (SemiEmpirical BornOppenheimer Molecular Dynamics). This technique has already been successfully applied to simulate liquid water [1] and Nmethyl acetamide [2] in aqueous solution and aims at describing the time dependent behavior of proteins in water including key quantum effects (bond making/breaking, solvent induced polarization and IR shifts, charge transfer ...). However, before reaching this goal, we first tested the ability of SEBOMD to reproduce the behavior of small molecules of biological interest in water, typically amino acid side chains. We both study hydrophobic and hydrophilic interactions in these systems, comparing our results with available experimental data for electronic/vibrational properties and solute first solvation shell. Here, we present part of these results, discussing the advantages and limitations of the SEBOMD methodology.

References 1. G. Monard, M. I. Bernal-Uruchurtu, A. Van der Vaart, K. M. Merz Jr., and M. F. Ruiz-Lopez J. Phys. Chem. 109, 3425 (2005). 2. F. Ingrosso, G. Monard, M. Hamdi Farag, A. Bastida, and M. F. Ruiz-Lopez J. Chem. Theory Comput. 7, 1840 (2011). Keywords: Molecular dynamics, Semiempirical (NDDO) Hamiltonians, Biomolecular systems

352



The Solvent Effect On The Propagation Kinetics Of Acrylic Acid And Methacrylic Acid İsa Değirmenci1, Tuğba Özaltın2, Özlem Karahan2, Viktorya Aviyente2 1

Chemical Engineering Department, Ondokuz Mayis University, Samsun 2 Chemistry Department, Bogazici University, Istanbul, Turkey

The studies of the solvent effect on the reaction kinetics of polymerization are recent interest for the water soluble polymers duo to their widespread application areas such as hidrogels, thickeners, flocculants, and coatings. During polymerization, both monomer structure and nature of solvent have effect on reactivity. In addition to this special interactions like Hydrogen bonding between monomer and solvent make a contribution to the reactivity [1]. It is widely studied that the kp for ST and MMA only change by 10% in variety of non-polar solvents such as benzene. However these monomers show an important increase in kp when polymerization occurs in the presence of polar solvent such as benzyl alcohol [2]. Hydrogen bonding has been considered as responsible for the certain amount of increase in kp. On the other hand, how hydrogen bonding cause the rate acceleration is still need to explain. While a study says that hydrogen bonding leads to decrease in electron density around the C=C bond [3], the other study says that it leads to entropic effect duo to strong interaction between growing species and solvent molecules [4]. In this study, these effects have been rationalized by using quantum chemical tools. Acrylic acid (AA) and methacrylic acid (MAA) were modeled so as to elaborate hydrogen bonding effect on the reactivity. The geometries and frequencies are calculated with the B3LYP/6-31+G(d) methodology whereas the energetics and kinetics of these structures have been studied using MPWB1K/6-311+G(3df,2p), M05-2X/6311+G(3df,2p) and M06-2X/6-311+G(3df,2p) methodologies. References 1. Beuermann, S.; Nelke, D. Macromolecular Chemistry and Physics 2003, 204, 460-470. 2. Beuermann, S. Macromolecular Rapid Communications 2009, 30, 1066-1088. 3. Fischer, H.; Radom, L. Angewandte Chemie-International Edition 2001, 40, 1340-1371. 4. Beuermann, S.; Buback, M.; Hesse, P.; Kukuckova, S.; Lacik, I. Macromolecular Symposia 2007, 248, 23-32. Keywords: Acrylic acid, Methacrylic acid, Modeling Free-Radical polymerization, Solvent effect

353



Femtogram-Level Detection Of Staphylococcal Enterotoxin B Using Mems Based Micro Electrochemical Sensor H. Ceylan Koydemir1,2, D. Hocaoğlu1, H. Külah2,3, and C. Özgen1

1

Department of Chemical Engineering, METU, 06800, Ankara, Turkey METU-MEMS Research and Application Center, 06800, Ankara, Turkey 3 Department of Electrical and Electronics Engineering, METU, 06800, Ankara, Turkey Presenting author: [email protected] 2

Staphylococcal enterotoxin B (SEB) is a water-soluble exotoxin excreted by Staphylococcus aureus that has the highest incidence among the food poisoning bacteria [1]. This toxin is heat resistant and its small amount (ED50 = 0.4 ng/kg) is enough to exert signs of intoxication [2]. A number of methods have been reported for the detection of SEB, including SERS, polymerase chain reaction, X-ray photoelectron spectroscopy, surface plasmon resonance, electrochemical impedance spectrometry (EIS), Fourier transform infrared spectroscopy, quartz crystal microbalance, and flow cytometry [2-3]. However, these methods suffer from several drawbacks such as long analysis time (24 - 48 hours), high cost, low resolution, complicated handling steps, and requirement of trained personnel for analysis. This study presents rapid and sensitive method for the detection of SEB using micro-electro-mechanical systems (MEMS) based micro electrochemical sensor (µECS). Alkaline phosphatase based immunoassay was utilized to recognize the toxin using antibodies specific to the toxin (Figure 1). The enzymatically generated product for a broad range of concentrations of SEB in aqueous solution was successfully detected using differential pulse voltammetry. The experimental findings revealed that it was possible to detect low concentrations of SEB (as low as 10 fg/µl) in 2 hours using only 2 µl sample. The immunoassay method combined with the µECS can be used to detect the presence of toxins and other biological warfare at the point of care.

(a)

α-NPP

(b)

Anti - SEB

Bovine Serum Albumin

Alkaline phosphatase

Product

SEB

Figure 1: (a) A picture of the fabricated prototype of µECS. (b) Schematic view of surface modification on microdisc gold electrode of the sensor. References 1. J.M. Fueyo, M.C. Martin, M.A. Gonzalez-Hevia, M.C. Mendoza, Int J Food Microbiol 67, 139–145 (2001). 2. P. Xue, Y. Li, Z. Zhang, A. Fu, F.Liu, X. Zhang, Y. Sun, L. Chen, B. Jin, K. Yang, Microchimica Acta, 174, 167-174, (2011). 3. M.E. Pekdemir, D.Ertürkan, H. Külah, İ. Boyacı, C. Özgen, and U. Tamer, Analyst, 137, 4834-4840, (2012). Keywords: Electrochemical Sensor, Miniaturized Systems, Biosensor, Toxin Detection

354



A PROMISING COMBINATION OF BENZOTRIAZOLE AND QUINOXALINE UNITS: A NEW ACCEPTOR MOIETY TOWARD SYNTHESIS OF MULTIPURPOSE DONOR– ACCEPTOR TYPE POLYMERS Serife Ozdemir1, Merve Sendur2, Gozde Oktem3, Ozdemir Dogan1 and Levent Toppare1,4,5,6 1

Department of Chemistry, Middle East Technical University, 06800 Ankara, Turkey 2 Institut für Physikalische und Theoretische Chemie, Universität Regensburg, 93053 Regensburg, Germany 3 Leibniz-Institut für Polymerforschung, Dresden e.V., Hohe Straße 6, 01069 Dresden, Germany 4 Department of Biotechnology, Middle East Technical University, 06800 Ankara, Turkey 5 Department of Polymer Science and Technology, Middle East Technical University, 06800 Ankara, Turkey 6 The Center of Solar Energy Research and Applications (GUNAM), Middle East Technical University, Ankara 06800, Turkey Presenting author: [email protected] The idea of combining two important and widely used acceptor units; benzotriazole and quinoxaline in a single structure is the motivation of this study. Here, we designed and synthesized three new monomers namely 2-dodecyl-6,7- diphenyl-4,9di(thiophen-2-yl)-2H-[1,2,3]triazole[4,5-g]quinoxaline (M1), 2-dodecyl-4,6,7,9-tetra(thiophen-2-yl)-2H-[1,2,3]triazole[4,5g]quinoxaline (M2) and 6,7-bis(4-tert-butylphenyl)-2- dodecyl-4,9-di(thiophen-2-yl)-2H-[1,2,3]triazole[4,5-g]quinoxaline (M3). Electrochemical polymerizations of corresponding monomers resulted in the desired polymers P1, P2 and P3. After polymerization and purification, electrochemical and optical properties of corresponding polymers were investigated [1].

Figure 1: Structures of the polymers. All polymers were both p- and n-dopable. In addition, all poymers had multicoloured n-doped state which is a rare property for these type materials. Spectroelectrochemical studies illustrated the broad absorptions between 700 nm and 1000 nm with nearly 1.00 eV optical band gap. References 1. S. Ozdemir, M. Sendur, G. Oktem, O. Doğan, L. Toppare, J. Mater. Chem., 22, 4687-4694 (2012) Keywords: Quinoxaline, Benzotriazole, Donor-Acceptor type polymer

355



SYNTHESIS AND CHARACTERIZATION OF TIO2/ MONTMORILLONITE PHOTOCATALYST G. Köneçoğlu, Ş. Toygun, Y.Kalpaklı1* 1

Yıldız Technical University, Chemical Engineering Department, 34210, Esenler, İstanbul, Türkiye Presenting author: [email protected]

Titanium dioxide/montmorillonite nanocomposites prepared by acid-catalyzed sol–gel method. The characteristics of the resultant structure such as titania phase, crystallite size, basal spacing, ωA/ωR ratio, surface area, pore volume and diameter are examined via X-ray diffraction (XRD) and BET measurements. The photocatalytic activity of nano-sized composites tested for the degradation of a azo dye: C.I. Basic Yellow 28. Degradation of dye confirmed by TOC, UV, COD and FT- IR measurements. XRD measurements of the samples indicated that in the course of composite formation, TiO2/montmorillonite intercalation structures containing TiO2 were formed as can be seen from Figure 1. The theoretical mass percentage of TiO2 was 50% by calculation and the experimental mass percentage of TiO2 was found 39%. The structure of composites were the mixture phase of anatase and rutile and it was labeled in figure 1. The average crystalline size is 3.4 and 4.6 nm, respectively, by applying the Scherrer equation on the anatase (1 0 1) and rutile (1 1 0) diffraction peaks [1]. Figure 1: XRD pattern of the sol-gel TiO2 (a), Namontmorillonite (b) and synthesized TiO2/MMT composite (c) 2

The specific surface area of the sample was found to be 196 m /g which is higher than commercial TiO2, Degussa P25. Photocatalytic experiments carried out in a commercial photocatalytic reactor which has eight UV-A lamps, each one having 8 W light power. These UV lamps which emit their maxima radiation at 365 nm were selected because of familiarity to sun light [2]. When the dye is irradiated without catalyst there is negligible degradation and for the same experiment performed with 1 g/L catalyst in the dark 28% TOC and 2% UV decrease in dye concentration (for 100 mg/L BY 28) occurred at 45 min. After 3 hours UV irradiation 41% TOC and 5% UV efficiency obtained. References 1. K.R., M.K., D.I., Applied Clay Science, chap.32:99-110, (2006). 2. B.J., S.A.A., C.S., Lewis Publishers, Boca Raton, .chap.11:187-192, (1995). * Corresponding Author. e-mail address: [email protected] Keywords: Sol- gel, TiO2, Montmorillonite, Nanocomposites, Photocatalyst

356



STRUCTURE – PROPERTY RELATIONS IN CONDUCTING POLYMERS FOR ELECTROCHROMIC APPLICATIONS B. Zaifoglu1, N. A. Unlu1, S. O. Hacioglu1, L. Toppare.1,2,3,4

Department of Chemistry, Middle East Technical University, 06800 Ankara, Turkey Department of Biotechnology, Middle East Technical University, 06800 Ankara, Turkey Department of Polymer Science and Technology, Middle East Technical University, 06800 Ankara, Turkey The Center for Solar Energy Research and Application (GÜNAM), Middle East Technical University, 06800 Ankara, Turkey Presenting author: [email protected] In order to gain deeper insight on the structure-property relations properties, two novel donor-acceptor-donor (D-A-D) type monomer units were studied. 4'-Tert-butyl-4,7-di(thiophen2-yl)spiro[benzo[d]imidazole-2,1'-cyclohexane] (BIT) and 4,7-di(2,2'-bithiophen-5-yl)-4'-tertbutylspiro[benzo[d]imidazole-2,1'-cyclohexane] (BIBT) were synthesized and electrochemically polymerized. Electrochemical and optical properties of the polymers were investigated by cyclic voltammetry and UV–Vis-NIR spectroscopy techniques.

Figure 1: Structures of the polymers and their colors at their neutral (0.0 V) and different oxidized states. Keywords: Benzimidazole, Electrochromic, Polymer

357



Micelle Controlled Synthesis of Alumina Supported-Calcium Oxide Nanocatalysts and their Applications in Photodegradation of Industrial Pollutants 1

Muhammad Akhyar Farrukh1, Ayesha Imtiaz1 Department of Chemistry, GC University Lahore, 54000 Lahore, Pakistan Email: [email protected]

Calcium oxide (CaO) nanoparticles were prepared by hydrothermal method [1] by using sodium dodecyl sulphate (anionic surfactant) as a templating agent. The as-synthesized nanoparticles were further used as substrate for the synthesis of alumina (Al2O3) supported on calcium oxide (Al2O3/CaO) nanoparticles via deposition-precipitation method [2] at pH 12.3, isoelectric point of CaO. The Al2O3/CaO nanoparticles were characterized by FTIR, XRD, TGA, TEM, FESEM and EDX techniques [3]. The catalytic efficiencies of these nanoparticles were investigated with the photodegradation of 2, 4, 6trinitrophenol spectrophotometerically, which is an industrial pollutant. The effect of surfactant and temperature on size of -+ + nanoparticles was also studied. Surfactant follows the X I S module [1], where X is the counter ion, I is inorganic precursor and S is the anionic surfactant, to control the particle size at critical micelle concentration (CMC) of surfactant (Fig. 1). The smallest particle size [3] and highest percentage of degradation was observed at CMC. Compared to calcium oxide nanocatalysts, the Al2O3/CaO nanocatalysts show highest catalytic activity with the first order rate constant value of 0.1577 -1 min .

-

2+

-

Figure 1. Mechanism of micelle assisted formation of OH Ca DS system. References 1. M. A. Farrukh, B.-T Heng, and R. Adnan, Turk. J. Chem, 34, 537 (2010). 2. H. Yazid, R. Adnan, M. A. Farrukh and S. A. Hamid, J. Chin. Chem. Soc, 58, 593 (2011). 3. M. A. Farrukh, P. Tan, and R. Adnan, Turk. J. Chem., 36, 303 (2012). Keywords: Nanoparticles, Environment, Degradation, Surfactant, Pollutant

358



Supramolecular Peptide- Copper Hybrid Nanofibers For Click Reactions Mohammad Aref Khalily, Ruslan Garifullin and Mustafa O. Guler Institute of Materials Science and Nanotechnology, National Nanotechnology Research Center (UNAM), Bilkent University, Ankara, Turkey, 06800

Metalloenzymes are supramolecular organic-inorganic hybrid materials, which play a vital role in catalysis of biochemical 1

reactions . In metalloproteins, metal ions are usually coordinated by an imidazole group in histidine residues, a thiolate group in cystein residues, and a carboxylate group on the side chain of aspartate or glutamic acid. Inspired by metalloproteins, we designed and synthesized a de novo peptide amphiphile molecule (Lauryl-VVAGHH-Am) that can II

coordinate to Cu ions through imidazole moieties of histidine residues. The imidazole units in the peptide molecule coordinate to CuSO4 resulting in a self–assembled nanofiber system (Figure 1). These nanoscale peptide-copper supramolecular systems have been utilized to catalyze Huisgen 1, 3-dipolar cycloaddition of a variety of alkynes and organic azides in aqueous medium at ambient conditions.

+2

Figure 1. TEM image of Lauryl-VVAGHH- Cu nanofibers.

1.

Yoichi M. A. Yamada, Shaheen M. Sarkar, and Yasuhiro Uozumi, J. Am. Chem. Soc. 2012, 134, 9285−9290 Keywords: Metalloenzymes, peptide amphiphile, click reaction

359



Crosslinked Urease Nanoaggregates And Their Potential Utility In Chemical Reactions T. Akkaş1, A. Zakharyuta2, A Taralp.1 1

Sabancı University, Department of Materials Science and Engineering, 34956, Istanbul, Turkey 2 Sabancı University, Department of Biological Sciences and Bioengineering, 34956, Istanbul, Turkey Presenting author: [email protected] Several reactions of urea with different nucleophiles yield important chemicals such as dimethyl carbonate, ethylene carbonate and carbodihydrazide. That being said, the yield of such reactions are generally insufficient. Such processes are also accompanied by drawbacks such as difficulty in handling, high cost and toxicity [1]. The synthesis of dimethyl carbonate (DMC), a green commodity product, has particularly attracted much recent attention. Cross linked urease nanoaggregates have been produced in-house by a top-down methodology. In view of the biocatalytic attribute of enzymes, this material can serve as a benign catalyst, which is potentially advantageous over many conventional chemical methods. In view of its crosslinked structure, this material is also much more reusable, active, stable and recoverable than its monomeric (i.e., non-crosslinked) precursor enzyme. To prepare the crosslinked nanoaggregates, urease was subjected to crash-precipitation, chemical or dehydrothermal crosslinking, and nanonization by mechanical grinding or hydrodynamic shear. Additives such as grinding aids, lyoprotectants, and cryoprotectants were introduced to facilitate the nanonization step and to promote optimal activity. This top-down nanonization approach is unique in the preparation of crosslinked enzyme nanoparticles, and it has been observed to prompt increased stability and activity in aqueous and non-aqueous media [2-3]. The crosslinking approach is expected to enable a very practical large-scale alternative to conventional synthesis methods. Indeed, crosslinked enzyme micro- and nanoaggregates applied to organic reactions could afford greener and more economic synthesis of many industrially important compounds. Compared to conventional enzyme-based organic syntheses, this approach offers the additional ease of catalyst preparation and recovery.

Figure 1: Targeted non-water transformations of urea.

nucleophilic

References 1. M. Wang, H. Wang, N. Zhao, W. Wei and Y. Sun, Ind. Eng. Chem. Res. 46, 2683 (2007). 2. A. Taralp, US patent appl. 20110008455. 3. A. Taralp, Tubitak Bideb project no. 111M680. Keywords: Urease, crosslinked nano aggregates, urea, green chemistry, organic synthesis

360



Bioactive-Based Polymers: Applications For Skin Care K.E. Uhrich Rutgers University, 07060, Piscataway, USA Presenting author: [email protected] INTRODUCTION There is a diverse range of needs for personal care and cosmetic applications with much research entailing methods to control the release of biologically relevant actives. One such way to do so is through the use of polymeric systems. Over the past decade, Uhrich et al. have demonstrated bioactive-based poly(anhydride-esters), which exhibit high drug loading and degrade via hydrolysis to release free bioactive and biocompatible carboxylic acid in a controlled, sustained manner.1-3 These polymers chemically incorporate bioactive molecules, such as antioxidants, in the backbone of the polymers. In doing so, this not only controls bioactive delivery, but also helps to stabilize the molecule from degradation from external stimuli (light, heat, etc.). One such example, salicylic acid (SA), has been widely used in cosmetic and personal care products due to its keratolytic and anti- inflammatory effects. The polymer degradation rate can be controlled by changing the linker molecules, depending on the desired release profile. The polymers can be further formulated for cosmetic applications by preparing microspheres (which can encapsulate other bioactive molecules for dual release). Another bioactive investigated for cosmetic and personal care applications is ferulic acid (FA), a natural, potent antioxidant with many potential health benefits. Its limited elimination half-life (less than 2 h) and stability issues (degradation over time) cause problems with its use in current formulations. FA delivery could be improved by incorporation into a biodegradable polymer backbone, enabling controlled bioactive release and increase in stability. Both SA and FA-based polymers exhibit tunable released rates with sustained bioactive delivery. Herein, is described the incorporation of SA and FA into the backbone of poly(anhydride- esters) using diglycolic and adipic linker molecules (on the GRAS list) to achieve controlled bioactive release. The bioactive release rates were investigated. CONCLUSION These bioactive-based polymers have been successfully synthesized and are hydrolytically degradable. The polymers release the bioactive molecules such as SA and FA in a controlled, sustained manner while protecting and stabilizing the bioactives, which are beneficial for cosmetic and personal care applications. Future studies include utilizing skin models to evaluate how polymers and degradation products move across the skin membrane. ACKNOWLEDGMENTS The authors would like to thank Rutgers University and the National Institute of Health (NIH R01) and Graduate Assistance in Areas of National Need (GAANN) fellowship for financial support of this research. Keywords: bioactive, anti-inflammatory, naturally occuring

361



Biopolymers From Agricultural And Marine Waste: A Case Of Green, Sustainable And Environmental Chemistry (The Biopmat Network) R. Cortés1, J. Cortés2, A. M. Gómez3, A. López.3 1

Institute of Muldisciplinary Research/School of Chemistry, 91000, Xalapa,Ver.Mexico 2 Basic Sciences Institute/School of Chemistry, 91000, Xalapa,Ver.Mexico 3 School of Chemistry, 91000, Xalapa,Ver.Mexico Presenting author: [email protected]

Biopolymeric materials are renewable, biodegradable and biocompatible, reason why their future and present applications are only limited by our imagination. Some applications are: adhesives, packages, adsorbents, lubricants, soil conditioners, cosmetics, fabrics, structural materials, computer information storage hardware, and implants. Biopolymeric Materials Engineering (BIOPMAT), is a project that circumscribes within the world trends denominated "Green Chemistry" and the one known as "Engineering for life". Also, using the agricultural and marine waste to pruduce biopolymers yields two expected outcomes in a developing country economy like Mexico: 1) the development of high value-added materials which are an alternative to petroleum-based polymers, and 2) the solution to a highly complex environmental problem such as agricultural and marine waste. The project main objective is the identification and characterization of biomaterials from marine or agricultural sources (waste, mainly) with potential innovating applications. The project BIOPMAT has attracted an international group of scholars interested or already working in the field of biopolymers, an area that we consider of great importance for the sustainable future of our country. This is now the: The BIOPMAT NETWORK, and in 2014 would be celebrating its third international meeting, trying to identify ways of further collaboration. This paper will present a network model intended to integrate and promote efficient interaction of the key elements of innovation in developing countries: Universities, R&D Centers and Businesses, to build research capacities in Mexico in the field of biopolymers assisted by international partners.

References nd 1. BIOPMAT. Proc. of 2 International Conference on Biopolymers (Biopolymers: sources, transformation, production and innovating applications), edited by A. Gómez. Editor (Editoriales FESI, , Xalapa, Ver, 2010). st 2. BIOPMAT. Proc. of 1 International Conference on Biopolymers (Biopolymers: sources, transformation, production and innovating applications), edited by A. Gómez. Editor (Editoriales FESI, , Xalapa, Ver, 2008). 3. V. FERRARO, I. B. CRUZ, J. R. FERREIRA, F. X. MALCATA, M. E. PINTADO and CASTRO, P. M. L. Valorisation of natural extracts from marine source focused on marine by-products: A review. Food research International Rev, 43, 9, p. 2221-2233 (2010). Keywords: Biopolymers, waste, network, green, sustainable, environment

362



Synthesis And Thermal Study Of Poly (Butylene Itaconate) After Modification With Divinyl Benzene And Glycerol AH. Wibowo*1 , N. Makhnunah1, D. Irawati1, C. Purnawan, AH Ramelan1, H Storz2, K. Vorlop2 1

Department of Chemistry/Physic, University of Sebelas Maret, Indonesia Jl. Ir. Sutami No. 36 A, Surakarta 57126, Indonesia 2 Institute of Agricultural Technology, Johann Heinrich von Thuenen Institute, Germany Bundesalle 50, 38116 Braunschweig, Germany Presenting author: [email protected] Two different poly(butylene itaconate)s (PBIs) modified with divinyl benzene (DVB) and glycerol have been synthesized. 0 Synthesis of PBI modified with DVB was done at 180 C for 3 hours via polycondensation reaction with Ti(OBu)4 catalyst in o the nitrogen atmosphere followed by addition of 15%, 20% and 25% (w/w) DVB at 100 C using benzoyl peroxide as freeradical initiator. Synthesis of PBI modified with glycerol was done by addition of glycerol of 10%, 30%, and 50% (mole/mole) compared to 1.4-butanediol (BDO). Firstly, the acid number and intrinsic viscosity of PBI was determined before modification. The result showed that PBI before modification after 3 hours synthesis had yellowish honey-like form. The DVB-crosslinker addition affected the change of the polyester form from flowing gel to hard-rigid solid form and the color change to dark brown. The addition of PBI with DVB showed an intensity decrease of C=C stretching due to the formation of crosslinking on C=C itaconate. The increase of DVB addition on PBI also affected on the increase of endotermicdecomposition temperature. On the other hand, three dimensional networking on the polyester caused only the change of elastomeric form of the polyester, in the modification of PBI with glycerol. The addition increase of PBI with glycerol affected more elasticity and flexibility of the polyester. The decrease of endotermic-decomposition temperature occurred by the increase weight of glycerol addition. Keywords: polycondensation, poly(butylene itaconate), divynil benzene, glycerol.

363



Bismuth(Iii) Amino Arenesulfonates – Powerful Antibiotics Against H. Pylori M. Busse1, P. C. Andrews2, P. C. Junk3, R. L. Ferrero.4 1

The University of Sydney, 2006, Sydney, Australia. 2 Monash University, 3800, Melbourne, Australia. 3 James Cook University, 4811, Townsville, Australia. 4 Monash University, Monash Institute of Medicinal Research, 3168, Melbourne, Australia. Presenting author: [email protected] 1

Recently we published our results on homo- and heteroleptic bismuth(III) sulfonate complexes. Herein, the synthesis, characterisation and remarkable bactericidal activity against three strains of Helicobacter pylori (26695, B128 and 251) of N N nine new bismuth(III) amino arenesulfonate complexes of form [Bi(O3S-R )3] {R -SO3 = o-aminobenzenesulfonate (oAB) 1; m-aminobenzenesulfonate (mAB) 2; 6-amino-3-methoxybenzenesulfonate (6A3MB) 3; p-aminobenzenesulfonate (pAB) 4; 2-pyridinesulfonate (2P) 5; 2-amino-1-naphthalensulfonate (2AN) 6; 5-amino-1-naphthalensulfonate (5AN) 7; 4-amino-3hydroxy-1-aminonaphtalenesulfonate (4A3HN) 8; and 5-isoquinolinesulfonate (5IQ) 9} is described. Two synthetic methods, t using either Ag2O or [Bi(O Bu)3], are introduced and compared. The greater flexibility of the silver metathesis reaction is highlighted through the synthesis of new heteroleptic phenylbismuth(III) amino arenesulfonates; [PhBi(O3S-P2)2(dmso)] 10, [Ph2Bi(O3S-P2)]∞ 11 and [PhBi(O3S-P2)2]∞ 12. The solid-state structures of 10 and 12 were obtained through single crystal X2 ray diffraction and are described. Acknowledgements: We thank the Australian Research Council, Monash University, Monash Postgraduate Publication Award Scheme and Bayer Schering for funding. References:

1.

2.

(a) P. C. Andrews, M. Busse, G. B. Deacon, R. L. Ferrero, P. C. Junk, K. K. Huynh, I. Kumar, and J. MacLellan, Dalt. Trans. 39, 9633 (2010); (b) P. C. Andrews, M. Busse, P. C. Junk, C. M. Forsyth, and R. Peiris, Chem. Commun. 48, 7583 (2012); (c) P. C. Andrews, M. Busse, G. B. Deacon, R. L. Ferrero, P. C. Junk, J. G. MacLellan, and A. Vom, Dalton Trans. 41, 11798 (2012). M. Busse, I. Trinh, P. C. Junk, R. L. Ferrero, and P. C. Andrews, Chem. Eur. J. article published first online: 27 MAR 2013; DOI: 10.1002/chem.201204220 (2013). Keywords: bismuth, amino arenesulfonates, Helicobacter pylori

364



Antiviral Compounds From Caralluma Tuberculata As Potential Candidate Inhibitor Of HCV NS3 Serine Protease Sobia Noreen1*, Ishtiaq Hussain1, Muhammad Ilyas Tariq1, Qamar-ul-Zaman2, Tayyab Hussain3, Aqeel Khan4 and John M Gardiner4 1

Department of Chemistry, University of Sargodha, Sargodha Department of Pharmacy, University of Sargodha, Sargodha 3 Center of Excellence for Molecular Biology (CEMB), University of the Punjab, Lahore 4 Manchester Institute of Biotechnology, The University of Manchester 2

Abstract Hepatitis C virus (HCV) infection is a global health dilemma effecting about 200 million individuals annually. Viral infection is a causative for chronic liver diseases; liver cirrhosis, hepato-cellular carcinoma and eventually death. The potential from natural products as anti-HCV drugs is thus of considerable potential significance. NS3 serine protease (NS3-SP) is a target for screening of antiviral activity against HCV. The present work was intended to explore plants with anti-HCV potential, leading to natural chemical entities as lead compounds. Ten plants used for medicinal purposes against different infections in rural areas of Pakistan for antiviral activities were collected. The cellular toxicity effects of organic extracts on the viability of Huh-7 were studied through Trypan blue dye exclusion method. Furthermore, antiviral effects of plant extracts were also assessed against HCV NS3-SP by transfecting HCV NS3 protease plasmid into liver cells. The plant organic extract was screened for the presence of phytochemical through standard procedures. To identify the active ingredient, Caralluma tuberculata (CT) extract was fractioned by column chromatography, purified and characterized by spectral data (UV-VIS, FTIR, EI-MS and NMR). The results revealed that the CT methanolic extract reduced the HCV NS3 protease expression in a dose-dependent manner and GAPDH remained constant. The novel antiviral activity of compounds from CT presents an attractive lead for natural chemical entities for the development of potential anti-HCV agents. Conclusion: These results suggest that CT extract and its bioactive constituents contain potential agents against HCV and combination of CT extract with interferon could offer a future option to treat chronic HCV. Keywords: Hepatitis C, NS3 Serine Protease, Caralluma tuberculata, Bioactive compounds, Natural products extraction, Fractionation, NMR, Structural elucidation

365



Cytotoxic Effects Of Some Flavanones Isolated Compounds From Kaempferia Rotunda By In Vitro On Human Cell Lines Sri Atun1* ; Retno Arianingrum1 ; Nurfina Aznam1; Sri Nurestri Abdul Malek2 1

Department Chemistry education, Universitas Negeri Yogyakarta, Karangmalang, Depok, Sleman, Yogyakarta, 55281, Indonesia 2 Institute of Biological Science,Faculty of Science, University of Malaya, Malaysia Presenting author: [email protected] ABSTRACT

The aim of this research was evaluated the cytotoxic effect against human cancer cell lines of crude extract and pure isolated compounds from Kaempferia rotunda rhizoma. The isolation of flavanone compounds from methanol extract K. rotunda was carried out by chromatographic method, and structure elucidation was elucidated based on spectroscophy method. From the dried and milled rhizoma of K. rotunda, three known flavanones, namely 5-hydroxy-7-methoxyflavanone (1), 7-hydroxy-5-methoxyflavanone (2), and 5,7-dihydroxy-flavanone (3) were isolated. From the crude extracts and flavanone isolated compounds from K. rotunda showed significant cytotoxic activity against human cancer cell lines, such as Breast carcinoma (MCF-7); Cervical carcinoma (Ca Ski); T47-D; Hela S3; WiDr, and HCT 116. Keywords: Kaempferia rotunda; cytotocix effects 2'

R1

1 O

8 7 6

3' 4'

1'

9

2

10 4

3

6'

5'

5

R2

O

(1) R1 = OCH3; R2 = OH (2) R1 = OH ; R2 = OCH3 (3) R1 = OH ; R2 = OH References 1. Adams BK, Ferstl EM, Davis MC, Herold M, Kurtkaya S, Camalier RF, Hollingshead MG, Kaur G, Sausville EA, Rickles FR, Bioorg. Med. Chem. 12, (14):3871–3883, (2004). 2. Leardkamolkarn V., Tiamyuyen S., Sripanidkulchai B.O., Asian Pacific Journal of Cancer Prevention, 10, 697, (2009). 3. Yanti, Lee M, Kim D, and Hwang J-K. Biol. Pharm. Bull. 32, (10): 1770-1775, (2009). Keywords: Kaempferia rotunda, cytotoxic effect

366



An Efficient Route Towards Thio-Bisphosphonic Acids For The Treatment Of Arthritis M. D. Khidre , W. M. Abdou Chemical Industries Division, National Research Centre, D-12622, Elbohouth St., Dokki, Cairo, Egypt Presenting author: [email protected] Synthesis of novel S-bisphosphonates (S-BPs) via two different approaches is described. Hydrolysis of the resulted BPs with conc. HCl afforded the corresponding thio-bisphosphonic acids (Figure 1). The pharmacological properties of the constructed compounds were achieved through rat adjuvant model of arthritis standard technique. The screening results indicate that thiobisphosphonic acids have moderate anti-inflammatory activity, and can be considered as potent agents for inhibition of chronic arthritis therefore, they may be nominated as lead molecules for developing highly pronounced inhibitors of chronic arthritis.

O Ph

N S S

S

+

P(OEt)2 (i) LiOH,H2O,CHCl3 P(OEt)2

(ii) conc. HCl

O

O N

Ph S

CH[P(OH)2]2 SH

O SH

+

N= CHAr

P(OEt)2 P(OEt)2 O

(i) LiH\DMF (ii) conc HCl

SH HN

Ph +

N

S O

SH CH[P(OH)2]2

O CH[P(OH)2]2 C H

Ar

Figure 1: Synthesis of thio-bisphosphonic acids. References 1. R. M. A. Francis, Curr. Therp. Res. (Review), 56, 831(1998). 2. (a) W. M. Abdou, N. A. Ganoub, A. F. Fahmy and A. A. Shaddy, Monatsh. Chem. 137, 105 (2006). (b) W. M. Abdou, N. A. Ganoub and Y. O. Elkhoshnieh, Synlett, 785 (2003). 3. R. Galli, J. Org. Chem., 52, 5349 (1987). (b) C. Trebaul and J. Teste, Bull. Soc. Chim (France), 2456 (1969). 4. I. Thomsen, K.Clausen, S. Scheibye and S. O. Lawesson, Org. Synth., 62, 158 (1984). 5. (a) Z. Yoshida, S. Yoneda, T. Kawase and M. Inaba, Tetrahedron Lett., 1285 (1978). (b) L. S. Boulos and E. S. M. A. Yakout, Phos. Sulf. Silicon, 84, 35 (1993). 6. L. Field and C. H. Banks, J. Org. Chem. 40, 277 (1975). Keywords: Cyclic-and acyclic cis-disulfides, Shiff-bases, Sulfur-containing bisphosphonic acids, Arthritis/Inflammatory.

367



Electron-Transfer Rates Govern Product Distribution In “Wired” P450 Electrodes Andrew K. Udit and Michael G. Hill Occidental College, 90041, Los Angeles, USA Developing electrode-driven biocatalytic systems utilizing the P450 cytochromes for selective oxidations depends not only on achieving electron transfer (ET) but doing so at rates that favor native-like turnover. Herein we report studies that correlate rates of heme reduction with ET pathways and resulting product distributions. We utilized single-surface cysteine mutants of the heme domain of P450 from Bacillus megaterium and modified the thiols with N-(1-pyrene)iodoacetamide, affording proteins that could bond to basal-plane graphite. Of the proteins examined, Cys mutants at position 62, 383, and 387 were able to form electroactive monlayers with similar E 1/2 values (-335 to -340 mV vs AgCl/Ag). o -1 -1 -1 Respective ET rates (ks ) and heme-cysteine distances for 62, 383, and 387 are 50 s and 16 , 0.8 s and 25 , and 650 s and 19 . Experiments utilizing rotated-disk electrodes were conducted to determine the products of P450-catalyzed dioxygen reduction. We found good agreement between ET rates and product distributions for the various mutants, with o larger ks values correlating with more electrons transferred per dioxygen during catalysis. Keywords: P450, electrochemistry,biocatalysis

368



Mechanism For Strong Binding Of Cdse Quantum Dots To Multiwall Carbon Nanotubes For Solar Energy Harvesting Seyla Azoz1, Gayatri Keskar1, Fang Ren1, Alp Alkas3, Charles Mcenally1, Analisse Marquez1, Jie Jiang1, Nebojsa Marinkovic2, Gary Haller1, Sohrab Ismail Beigi1, Lisa Pfefferle1 1

2

Yale University Brookhaven National Laboratory 3 Jones Lang Lasalle

As hybrid nanomaterials have myriad of applications in modern technology, different functionalization strategies are being intensely sought for preparing nanocomposites with tunable properties and structures. Multi-Walled Carbon Nanotube (MWNT)/ CdSe Quantum Dot (QD) heterostructures serve as an important example for an active component of solar cells. The attachment mechanism of CdSe QDs and MWNTs is known to affect the charge transfer between them and consequently to alter the efficiency of solar cell devices. In this study, we present a novel method that enables the exchange of some of the organic capping agents on the QDs with carboxyl functionalized MWNTs upon ultrasonication. This produces a ligand-free covalent attachment of the QDs to the MWNTs. EXAFS characterization reveals direct bond formation between the CdSe QDs and the MWNTs. The amount of oleic acid exchanged is quantified by temperatureprogrammed decomposition (TPD); the results indicate that roughly half of the oleic acid (OA) is removed from the QDs upon functionalized MWNT addition. Additionally, we characterize the optical and structural properties of the QD-MWNT heterostructures and investigate how these properties are affected by the attachment. The photoluminescence of QDs is completely quenched after they are ultrasonicated with functionalized MWNTs suggesting a fast charge transfer between QDs and MWNTs. Our theoretical calculations are consistent with and support these experimental findings and provide microscopic models for the QD binding mechanisms. Keywords: nanomaterials, solar energy, quantum dot, carbon nanotube

369



Transparent And Conductive Thin Films Of Both Carbon Nanotubes- And Graphene-Based Nanocomposites: Synthesis, Characterization And Applications 1

1

1

1

1

Edson Nossol , Rodrigo V. Salvatierra , Sergio H. Domingues , Hiany Mehl , Vitor Hugo R. Souza , Samantha 1 1 2 1 Hussman , Eduardo G.C. Neiva , Marcela M. Oliveira , Aldo J.G. Zarbin 1 Department of Chemistry, Federal University of Parana (UFPR), Brazil. ([email protected]) 2 Dep. of Chemistry & Biology, Technological Federal University of Parana (UTFPR), Brazil. A summary of the main results obtained in the last 5 years in our research group will be presented, related to the synthesis, characterization, study of properties and applications of different nanocomposites based on graphene or carbon nanotubes (CNTs). The materials are been obtained directly as thin and transparent films at liquid-liquid interfaces, and can be transferred to any kind of ordinary substrates. Specifically, we will discuss the following systems: i) films of carbon nanotubes/Prussian blue (and analogues) nanocomposites, and their application as electrochemical sensor, in electrochromic device, and as catalyst to water treatment; ii) films of CNTs/conducting polymers, and their application as ITO substitutes and in flexible organic solar cells; iii) films of neat graphene or graphene/conducting polymers, and their application as ITO substitutes; iv) films of graphene/silver nanoparticles, and their application as SERS substrates. [1] R.V. Salvatierra, M.M. Oliveira, A.J.G. Zarbin, Chem. Mater. 22 (2010) 5222. [2] S.H.Domingues, R.V.Salvatierra, M.M. Oliveira, A.J.G. Zarbin, Chem. Comm. (2011) 2592. [3] R.V. Salvatierra, C.E. Cava, L.S. Roman, A.J.G. Zarbin, Adv. Funct. Mater. 23 (2013) 1490. [4] R.V. Salvatierra, S.H. Domingues, M.M. Oliveira, A.J.G. Zarbin, Carbon 57 (2013) 410. [5] E. Nossol, A.J.G. Zarbin, J. Mater. Chem. 22 (2012) 1824. [6] E. Nossol, A.J.G. Zarbin, Sol. Energy Mater. Sol. Cells 109 (2013) 40. Keywords: carbon nanotubes, graphene, nanocomposites, conducting polymers, Prussian blue, polyaniline, polythiophene, ITO-substitutes, photovoltaic devices, electrochromic devices, SERS substrates

370



A Possible Reaction Pathway to Fabricate a Half-metallic Wire on a Silicon Surface Yunhao Lu; Hongmei Jin; Hongjun Zhu; Shuo-Wang Yang, Chun Zhang, J.Z. Jiang AND Yuan Ping Feng Abstract: As the downscaling of electronic devices continues, future computing and communication devices will be constructed using molecules or atomic clusters as building blocks. A necessary step to realize this goal is fabrication of conductive and magnetic clusters or molecular wires on semiconducting or insulating substrates. However, scientists have found themselves confronted with a dilemma. On one hand, function units such as molecules, coordination compounds, oligomers or polymers with desired properties usually do not possess suitable functional groups which allow them to bind to the substrates. On the other hand, structures having such functional groups that facilitate strong surface adsorption typically exhibit poor electrical conductivity, because charge carriers tend to localize at these functional groups. Therefore, identifying the right molecular function unit and a matching substrate remains a challenge. Based on first-principles electronic structure calculations and molecular dynamic simulation, we present a possible reaction pathway for fabricating half metallic Mo-borine sandwich molecular wires on hydrogen-passivated Si(001) surface. The molecular wire is chemically bonded to the silicon surface and is stable up to room temperature. Interestingly, the essential properties of the molecular wire are not significantly affected by the Si substrate. Furthermore, their electronic and magnetic properties are tunable by an external electric field, which allows the molecular wire to function as a molecular switch or a basic component for information storage devices, leading to applications in future molecular electronics and spintronics [1]. Key words: Surface assembling; Sandwich Molecular Wire, Molecular electronics and spintronics. [1] Yunhao Lu†, Hongmei Jin, Hongjun Zhu, Shuo-Wang Yang*, Chun Zhang, Jianzhong Jiang and Yuanping Feng; “Two-Step Assembly of Sandwich Molecular Wires on Silicon Surface” , Adv. Funct. Mater., 10.1002/adfm.201202142

371



Conducting Behavior Of A Series Of Disordered Pyrochlore Ln2ZrTiO7 (Ln = Rare Earth) C. Y. Hsieh1, L. C. Wen1, R. H. Lee1, M. Y. Lin, Y. I. Tsai1, H.-C. I. Kao1*, H. S. Sheu2, L.Y. Jang2 1

2

Department of Chemistry, Tamkang University, 25137, Tamsui, Taiwan National Synchrotron Radiation Research Center, 30076, Hsinchu, Taiwan Presenting author: [email protected]

A series of Ln2ZrTiO7 (Ln = Nd  Yb, rare earth element) oxides were prepared by a polymeric citrate precursor method and sintered at 1500C. All of them have a disordered pyrochlore phase calculated by the Rietveld method. Unit cell a-axis and fractional x-coordinate of the O(1) or the 48f site in the unit cell are linearly dependent on the ionic radius of the rare earth cation. Activation energy (Ea) for the electrical conduction is related to the occupacy factor (OF) of the O(3) or the 8b site. For a bigger rare earth cation Nd, OF of the O(3) site in the Nd2ZrTiO7 is 0.04, which is nearly ordered and has the smallest Ea. On the other hand, for a smaller Ln cation Yb, OF of the O(3) site in the Yb2ZrTiO7 is 0.69, close to the OF of the fluorite phase, whcih is 0.875. In other words, a complete ordered pyrochlore structure with an empty O(3) site lowers the activation energy for the oxygen atom migration. Conductivity were measured by the electrochemical impedance spectroscopy (EIS). Dy2ZrTiO7 has the highest conductivity among all the Ln2ZrTiO7 in the 500700C temperature range. It 4 1 is 5.37(1) x 10 S·cm at 700C. Optimal OF of the O(3) site is 0.45. Electromotive force measurement (EMF) found that 98(1)% of the electrical conductivity of the Ln2ZrTiO7 is ionic at 500C. Increasing temperature to 700C, transference number (ti) of the ionic conduction is lowered to 0.83(2). Average valence of the Ti-atom determined by the Ti K-edge XANES spectroscopy at room temperature is 3.8(1). Ti atoms are in the mixed-valence states, which is responsible for the electronic conduction. No difference is observed in both of the ti and average valence of the Ti atoms among different rare earth compounds. The inner shell 4f electrons do not influence the transference number and the valence of the Ti atoms. Keywords: Ln2ZrTiO7, pyroclore, conductivity, Rietveld method, order-disorder

372



Creating And Exploring Barriers: Phononic Band Gap In One-Dimensional Periodic Bragg Stacks In Hypersonic Region Dirk Schneider, 1 Faroha Liaqat, 2 El Houssaine El Boudouti, 3 Youssef El Hassouani,4 Bahram Djafari-Rouhani, 5 Wolfgang Tremel, 2 Hans-Jürgen Butt, 1 George Fytas 1,6 1

Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany 2 3 4

5

6

Johannes Gutenberg Universität, Duesbergweg 10-14, 55128, Mainz, Germany

LDOM, Département de Physique, Université Mohamed I, 60000 Oujda, Morocco

Département de Physique, Université Moulay Ismaïl, Boutalamine 52000, Errachidia, Morocco

IEMN, UMR-CNRS 8520, UFR de Physique, Université de Lille 1, 59655 Villeneuve d’Ascq, France

Department of Materials Science, University of Crete and FORTH, 71110 Heraklion, Greece Faroha Liaqat: [email protected]

Phononic structures, the acoustic analogues of Photonics, have recently sparked interest in materials science because of their ability to regulate elastic wave propagation. Acoustic waves of certain frequencies can be restricted in one direction or more while travelling through a phononic assembly, creating a band gap. We report on one-dimensional periodic Bragg stacks of poly-(methyl methacrylate) (PMMA) and porous silica (SiO2) exhibiting clear band gaps in the hypersonic region (GHz) (Figure 1). The non-destructive technique of Brillouin light scattering (BLS) is employed to measure the large and robust band gap offered by these hybrids [1]. Manipulating the structural parameters such as the composition of the constituent polymer and nanoparticle layers enables a tuning of the position and width of the band gap, subtly changing the band diagram. Under oblique incident conditions, the observed dispersion is varied due to a mixing of the saggital modes, giving an insight into the shear moduli at the nano scale. Theoretical calculations of these composite Bragg stacks coincide neatly with the experimental data, enabling an insight into wave propagation through periodic structures [2]. An engineering of the band diagram becomes possible for the hybrids by structural modifications of the constituent polymer or the colloidal particles.

References 1. 2.

W. Cheng, J. Wang, U. Jonas, G. Fytas and N. Stefanou, Nature. Mater. 5, 830 (2006). D. Schneider, F. Liaqat, E. El Boudati, Y. El Houssauani, B. Djafari-Rouhani, W. Tremel, H. Butt and G. Fytas, Nano. Lett. 12, 3101 (2012).

Keywords: Bragg Stacks,Soft Matter, Brillouin Light Scattering, Phononic Band Gap, Hypersonic

373



Preparation Of Cetyltrimethylammonium-Bentonite And Adsorption Kinetic Study On Benzene-Toluene-2-Chlorophenol Mixture In Water Solution Is Fatimaha,*, Yopi Andikab, Winda Novitab Department of Chemistry, Universitas Islam Indonesia, kampus Terpadu UII, Jl. Kaliurang Km.14, Yogyakarta, Indonesia Professional Program of Chemical Analyst, Universitas Islam Indonesia, kampus Terpadu UII, Jl. Kaliurang Km.14, Yogyakarta, Indonesia *e-mail: [email protected] Contamination of aromatic compounds in water can cause severe long-lasting effects not only for biotic organism but also on human health. Several alternative technologies for remediation of polluted water have been attempted. One of these is adsorption process of aromatic compounds by using organic modified clay mineral [1-3]. Porous structure of clay is potential properties for molecular adsorptivity and it can be increased by immobilizing hydrophobic structure to attract + organic compounds. In this work natural bentonites were modified with cetyltrimethylammonium (CTMA ) and was evaluated for for use as adsorbents of aromatic compounds: toluene, 2-chloro phenol and benzene in water. Preparation of CTMA-bentonite was conducted by simple ion exchange procedure and characterization was conducted by using differential thermal analysis-thermal gravimetry analysis(DTA-TGA), x-day diffraction(XRD) , Fourier-transform infra red (FTIR) and gas sorption analysis. The influence of structural modification of bentonite on its adsorption capacity and adsorption affinity of organic compound were studied. It was shown that adsorptivity of bentonite was increased by + modification associated with arrangements of CTMA in the structure even the specific surface area of modified bentonite was lower than raw bentonite[4-5]. Adsorption rate of toluene-benzene-2-chloro phenol mixture indicated that material has affinity to adsorb compound by following order > benzene> toluene> 2-chloro phenol. The adsorption isotherms of st toluene and 2-cholorophenol showed 1 order adsorption kinetic indicating a partition phenomenon of compounds between the aqueous and organophilic CTMA-bentonite. Keywords: adsorption, organoclay, montmorillonite, aromatic compound References: [1]. Hocine, Boufatit, M., Khouider, A. , 2004. Desalination , 167; 141–145. [2]. Hong, H., Jiang, W., Zhang, X., Tie, L., Li,Z. 2008, App. Clay Sci. 42; 292–299. [3].Hu, B., Luo, H., Chen, H., dan Dong, T., 2011. Appl.Clay Sci., 51; 198–201. [4].Jaruwong, P. dan Wibulswas, R., 2003, Asian J. Energy Environ., 4(1-2); 41-59. [5].Kwolek, T., Hodorowicz, M., Standnick, K., Czapkiewicz, J., 2003. J. Colloid Interface Sci. 264, 14–19. Keywords: adsorption, organoclay, montmorillonite, aromatic compound

374



The Effect Of Arcylic Acid And Acrylamide Graft Copolymerization On The Properties Of Sodium Alginate Based Superabsorbent Polymer. Y. Munusamy, T-J. Yong, S-Y. Chee. Faculty of Engineering and Green Technology, University Tunku Abdul Rahman, 31900 Kampar, Perak, Malaysia. Presenting author:[email protected]

Sodium alginate (NaAlg) copolymers were produced by free radical grafting of acrylic acid (AA) and acrylamide (AM) in aqueous solution of NaAlg with the presence of ammonium persulfate (APS) initiator. The copolymers were then crosslinked with N,N-methylenebisacrylamide (NMBA) to produce an interpenetrating network. The 2+ superabsorbent polymer hydrogel was then dropped into Ca solution to produce spherical beads. Different ratio of AA to AM was used to produce the copolymers; 85:15, 70:30, 55;45, 40:60 and 25:75 and the effect of these ratios on the grating efficiency, crystallinity, transition temperatures, thermal stability and water absorbency was studied. The result showed that the grafting efficiency, thermal stability and glass transition increase while water absorbency decreases with increment of AM concentration. The 55:45 composition of AA:AM monomers exhibit highest crystallinity value and melting temperature due to strong hydrogen bond formation at this composition. Keywords: Sodium alginate; superabsorbent polymer; thermal stability; crystallinity

375



A Bioinspired Strategy To Fabricate Bragg Stacks As Hard And Adhesive Coatings Faroha Liaqat1, Muhammad Nawaz Tahir1, Michael Kappl2, Hans Jürgen Butt2, Wolfgang Tremel1 1 Institut für Anorganische Chemie und Analytische Chemie, Johannes Gutenberg Universität, Mainz, Germany 2 Max Planck Institute for Polymer Research, Mainz, Germany

Nature is the source of some highly intricate and beautifully assembled hierarchical structures such as marine mussels, bone and nacre [1]. These nanocomposites are organized on different length scales but have one thing in common; the inter-weaving of inorganic materials in an organic matrix. A modification of the properties of the composite is possible, whether structural, (via polymer) [2] or electrical and magnetic, etc (via nanoparticles). This combination of components and self-organization gives the natural hybrid materials unique properties of extreme mechanical strength, hardness and adhesion [3]. Inspired from these hierarchies, we report the fabrication of one-dimensional hybrid Bragg stacks of a biopolymer, DOPA and inorganic metal oxide nanoparticles (Fe 3O4 and TiO2) (Figure 1). The sequential deposition of alternating inorganic and polymeric layers results in the formation of stable stacks, held together by strong covalent (catechol-metal) interactions. The resulting structures show a very high Young’s modulus of up to 16and 12 GPa, respectively. This is the highest reported value for such nanocomposites to date. These multilayered nanocomposites inspired by the tough structures in nature have useful applications as hard and adhesive coatings.

References 1. 2. 3.

Z. Tang, N. A. Kotov, S. Magonov and B. Ozturk, Nature. Mat. 2, 413 (2003). B. P. S. Chauhan and R. Sardar, Macromolecules. 37, 5136 (2004). H. Lee, S. M. Dellatore, W. M. Miller, P. B. Messersmith, Science. 318, 426 (2007).

Keywords: Bragg stacks, Bio-inspired nanostructures, Hard coatings

376



Functionalization Of Hybrid Particles By Click Chemistry M. Álvarez-Paino, G. Marcelo, A. Muñoz-Bonilla, J. Rodríguez-Hernández M. Fernández-García 1

Instituto de Ciencia y Tecnología de Polímeros (ICTP-CSIC), C/ Juan de la Cierva 3, 28006Madrid, España Presenting author: [email protected]

Magnetic particles based on divinylbenzene-co-pentafluorostyrene are synthesized by precipitation polymerization in presence of magnetite nanoparticles (Fe3O4). These nanoparticles are prepared by a thermal decomposition process 1 followed by their modification with dopamine methacrylamide to incorporate vinyl groups at the nanoparticle surface. Then, monomers are copolymerized through the interface of the magnetite nanoparticles to form the crosslinked polymeric shell. Subsequently, acetylated -D-thioglucopyranose units are attached to the hybrid particles by thiol-p-fluorine “click” reaction. After posterior deprotection, carbohydrate magnetic particles are obtained. These are able to interact with Concanavalin A lectin. Moreover, the fluorinated magnetic particles react with 1,2-ethanedithiol to introduce thiol groups at the surface. These groups are used to stabilize the nucleation and growth of gold nanoparticles. These functional particles present potential interest in recognition processes and in catalysis with the advantage of an easy 2 remove from the media because of their magnetic properties. ≡ 1,2-ethanedithiol

catalysis

radical polimerization

“click” reaction

“click” reaction molecular recognition ≡ glucose

≡ lectin

Figure 1: Illustration of magnetic hybrid particles. Acknowledgments: MINECO is acknowledged for the financial support (MAT2010-17016). MAP, AMB and GM thank MINECO and CSIC for their FPI grant, Juan de la Cierva and JAEdoc contracts, respectively. References 1. M. Álvarez-Paino, G. Marcelo, A. Muñoz-Bonilla, J. Rodríguez-Hernández, M. Fernández-García, Polym. Chem. 3, 3282 (2012). 2. M. Álvarez-Paino, A. Muñoz-Bonilla, G. Marcelo, J. Rodríguez-Hernández, M. Fernández-García, Polym. Chem. 4, 986 (2013). Keywords: Polymeric particles, hybrid materials, magnetite, click chemistry, gold, nanoparticles, molecular recognition

377



Polymorphic Behavior In Isotactic Poly(Propylene-Co-1-Pentene-Co-1-Hexene) Terpolymers A. García-Peñas, J. M. Gómez-Elvira, E. Pérez, M. L. Cerrada Instituto de Ciencia y Tecnología de Polímeros (ICTP-CSIC), Juan de la Cierva 3, 28006 Madrid, Spain Presenting author: [email protected] A new polymorphic form has been reported [1] in metallocene isotactic copolymers of propylene with high contents of 1hexene (iPPHe) or 1-pentene (iPPPe) as comonomers. In specimens slowly or isothermally crystallized, both types of copolymers (iPPHe and iPPPe) develop the α and/or γ forms of isotactic polypropylene, iPP, for comonomer concentrations lower than about 10 mol %, whereas they crystallize in the new trigonal form at higher 1-hexene and 1-pentene concentrations. In fast cooled samples, the scenario is somehow different. The monoclinic (and/or orthorhombic) crystallites are not the only competitors of this trigonal phase but the mesomorphic form is playing a primary role in this composition range: at low comonomer contents, the monoclinic form is primarily developed (gathered with a reduced and variable amount of orthorhombic polymorph); copolymers with molar compositions ranging around 5 to 10 are able to generate easily the mesomorphic structure. Obtainment of this δ polymorph triggers the following question: what does it occur if both counits are involved, i.e., if terpolymers are synthesized instead of iPPHe or iPPPe copolymers? In this work, terpolymers have been attained based on propylene with 1-pentene and 1-hexene as comonomeric units, these being randomly incorporated into the macrochains. Nevertheless, isotacticity is lowered as comonomer increases in the terpolymers. The trigonal polymorph is observed in rapidly cooled films with a global content in comonomers of about 14 mol %. A competition occurs between / crystallites, mesomorphic entities and trigonal  crystals in the composition interval below 14 mol % here also analyzed (see Figure below).

rel. int.

T15-3Pe-1He T10-3Pe-1He T7-3Pe-1He T4-3Pe-1He

5 10 15 20 25 30 35

2  (º) Acknowledgements: The financial support of MICINN (Project MAT2010-19883) is gratefully acknowledged. Mr. A. GarcíaPeñas is also grateful to MICINN for his FPI predoctoral grant. References 1. a) B. Poon, M. Rogunova, A. Hiltner, E. Baer, S.P. Chum, A. Galeski, E. Piorkowska, Macromolecules 2005, 38, 1232; b) M.L. Cerrada, M.J. Polo-Corpa, R. Benavente, E. Pérez, T. Velilla, R. Quijada, Macromolecules 42, 702 (2009); c) E. Pérez, M. . Cerrada, R. Benavente, .M. G mez-Elvira, Macromol. Res. 19, 1179 (2011). 2. E. Pérez, .M. G mez-Elvira, R. Benavente, M.L. Cerrada, Macromolecules 45, 6481 (2012). Keywords: terpolymers, 1-pentene, 1-hexene, trigonal form, mesomorphic entities

378

13.08.2013 / ORAL PRESENTATIONS Chemistry Education / CE-O-01


Translation Of Modern Chemical Terms- The Chinese And Japanese Approach In Comparison H. Chang Center for General Education, I-Shou University, 840, Kaohsiung, Taiwan Presenting author: [email protected] When we research the development of Chinese terms in chemistry, an historical study of the Japanese approach to chemical nomenclature should also be deal with. The Chinese terms yuansu (element), yuanzi (atom), fenzi (molecular), dangliang (valence), youji (organic) and wuji (inorganic) were derived from Japan, and were introduced after the Sino-Japanese War (1894-5). However, the Chinese nomenclature had a great impact on the development of Japanese terms in chemistry. So the influence of the Chinese terms is no doubt a point to be discussed when considering chemical terms in Japanese. The term huaxue, for example, was coined in the middle of nineteenth-century in China and was then introduced into Japan soon after. The Japanese term kagaku (chemistry) came to be widely used in public in the 1880s.

In both Chinese and Japanese chemical terms utilise the same, or similar, characters. There are three explanations for this: (1) its origin in Chinese; (2) its origin in Japanese; or (3) they are just coincidences. For example the term linsu (phosphorus), pengsu (boron) and fansu (aluminium). Although the Japanese had used the Chinese characters for a long time, modern Western chemistry was introduced earlier into Japan than into China.

Keywords: Chemical nomenclature, chemical terms, Chinese, Japanese

379



Chemistry Practices In The Vhavenda Indigenous Society L. Mammino1, T. Tshiwawa2 1,2

Department of Chemistry, University of Venda, P/ Bag X5050, 0950, Thohoyandou, South Africa Presenting author: [email protected]

Indigenous knowledge has become important in modern chemistry, especially in relation to the possibility of isolating compounds valuable for drug development from plants utilized in traditional medicine. This has opened the doors for chemists to explore other aspects of chemistry knowledge (practices based on the knowledge of properties of substances and materials) in indigenous societies [1,2]. The presentation focuses on the other-than-medicinal traditional chemistrybased practices among the Vhavenda – an ethnic group in the Limpopo province of South Africa having a particularly rich indigenous knowledge. The Vhavenda utilized available natural resources for a broad range of purposes. Different types of soil gave different paints for house decoration (red, black, yellow and white) and for the decoration of other artefacts; the red soil (rich in iron oxide) was also utilised to temporarily dye hair, more especially for traditional ceremonies. Pig fat was used as skin moisturiser. The knowledge of the properties of different plants enabled a high variety of uses: a certain plant was used to dye bracelets and other objects made of grass, with the addition of the bark of a tree to fix the colour ( if boiled for a shorter time, it gave a red colour, and for a longer time a blue colour – an interesting thermochemistry phenomenon); the leaves of another plant were used in the last stage of the preparation of hides for clothing, to make the skin soft; another plant provided hair shampoo; the stalk of another plant was used to brush teeth; different plants provided mosquito repellents, sodium bicarbonate for cooking, ashes to preserve grains, glue for hunting, and also a weapon for war. Typically chemistry techniques were also present. The salt (NaCl) mined from saltpans was purified through a recrystallization process. Fermented maize provided a form of yeast. Like in any other culture, fermentation provided alcoholic drinks. A specific distillation technique enabled the obtainment of concentrated (80–90%) alcohol. The presentation describes these practices highlighting the chemical knowledge embedded in them, and outlines routes for further research, including possible incorporation of this information into chemical education, to stimulate learners’ positive attitude towards chemistry by linking it to indigenous chemical heritage [3].

References rd 1. R. Hoffmann, (2011), 43 IUPAC World Chemistry Congress, Puerto Rico, 30 Jul.–7 Aug. 2. L. Mammino, (2012), Southern African Journal for Folklore Studies, in press. th 3. B. Masirenghe, (2012), 12 Eurasia Conference on Chemical Sciences, Corfu (Greece), 1621 April. Keywords: Ethnochemistry, indigenous knowledge and chemical education, natural materials, phytochemistry, Vhavenda

380



The 35 Year Old Chemistry Graduateship Programme Of The College Of Chemical Sciences (Ichemc) Receiving Accreditation From The RSC, UK In 2013 Is A Stepping Stone For Accelerated Progress In A Knowledge Based Society J N Oleap Fernando Honorary Rector, College of Chemical Sciences, Institute of Chemistry Ceylon Adamantane House, 341/22, Kotte Road, Welikada, Rajagiriya, Sri Lanka [email protected] The Graduateship Programme (together with a Technician level programme) has been organized, conducted and sustained over 4 decades with high quality by the College of Chemical Sciences(CCS) of the Institute of Chemistry Ceylon(IChemC), the Sri Lankan professional body of Chartered Chemists. Originally intended mainly for adults, matured, middle level qualifieds and late developers it has subsequently become directed more towards school leavers due to the acute shortage of state University places in the peculiar Sri Lankan context. Academically supported and recognized throughout by the Royal Society of Chemistry, UK (RSC) the programme has recently been formally RSC accredited enabling further strengthening and accelerated progress. IChemC is the first non-University institution and the first in Asia to receive accreditation. Producing, since 1996, the largest number of Graduate Chemists which today amounts to nearly 50% of all Graduate Chemists produced in Sri Lanka (including those from 6 other non fee levying Sri Lankan Universities). The individual cost of about US $ 2,750 for the entire (4 year) programme is perhaps the cheapest of such programmes globally. Two thirds of the production are women and occurs without delay unlike in the state universities. RSC recommended external examiners moderate papers and remark answer scripts at the RSC Headquarters, The Technician programme is the only such one in Sri Lanka. These are models worthy of emulation and global financial support. Products have been accepted for employment and registration for PG degrees in Universities globally. Graduate Chemists and Technicians are making significant contributions to development in a Knowledge Based Era. Keywords: Graduateship Programme, Technician Programme, Accreditation,College of Chemical Sciences,CCS. Institute of Chemistry Ceylon, IChemC, Royal Society of Chemistry, RSC, Knowledge Based Society,KBS

381



University Students’ Preconditions In Australia And Germany M. Klostermann1, S. Schmid2, I. Parchmann1 1

2

IPN Kiel, Chemistry Education, Olshausenstraße 62, 24118 Kiel, Germany School of Chemistry, The University of Sydney, Sydney NSW 2006, Australia Presenting author: [email protected]

Drop-out rates are unsatisfactorily high for many university courses, especially in science disciplines such as physics or chemistry. Surprisingly, only a few studies have investigated possible reasons for the high drop-out rates in those subjects [1]. The transition from school to university is a complex phenomenon and needs to be investigated as an interplay of factors. Following former studies which we have carried out in Germany, Australian chemistry students’ preconditions have been investigated for this project, using the same questionnaire. While transition courses in chemistry are already common in Australia, they have only recently been introduced to a higher amount at German universities. To analyze the transferability of approaches, the students´ starting conditions must be considered. Therefore, the research question arises if there are any differences between participants of the investigated chemistry bridging courses in Germany and Australia. The design of the instrument is based on a three variable model: individual variable, task variable and strategy variable, adapted from Flavell’s model of metacognition [2]. The individual variable includes students’ prior knowledge in chemistry as well as their interests and expectations regarding their future studies. The content variable includes all aspects relating to chemistry content and involves students’ perceptions concerning their studies. Finally, the strategy variable takes account of students’ learning strategies. These three aspects are considered to be relevant for students continuing successfully or dropping out of their courses. For the comparison study, the questionnaire was completed by participants of chemistry bridging courses in Germany (N=108) and Australia (N=128). A first analysis shows that students in the German cohort have a higher interest in chemistry topics than the students in the Australian cohort. In order to understand this finding a short comparison between the school and university systems in Australia and Germany will be given. In addition, group comparisons regarding other asked aspects and correlations between different areas of students’ preconditions will be presented. Finally, implications regarding a need for increased support at the beginning of chemistry studies will be highlighted. References [1] U. Heublein, C. Hutzsch, J. Schreiber, D. Sommer and G. Besuch, Ursachen des Studienabbruchs in Bachelor- und in herkömmlichen Studiengängen. Ergebnisse einer bundesweiten Befragung von Exmatrikulierten des Studienjahres 2007/08 [Reasons for dropping out of bachelor and other degrees. Results of a German survey of those who discontinued university in study year 07/08]. HIS: Projektbericht, 2010 [2] J. H. Flavell, Annahmen zum Begriff Metakognition sowie zur Entwicklung von Metakognition. [Acceptance of the idea of metacognition and development of metacognition] (Weinert, F.E. & Kluwe, R.H. (Hrsg.): Metakognition, Motivation und Lernen. Stuttgart: W. Kohlhammer Verlag, 23–31, 1984) Keywords: University entry conditions transition courses

382



DEVELOPMENT OF AN ACHIEVEMENT TEST ABOUT ‘‘ STATES OF MATTER’’ BASED ON BLOOM’S REVISED TAXONOMY FOR 10th GRADE GIFTED STUDENTS Ç.N. Umar 1, Z.Ayvaz Reis 2 . 1 Ph.D Student on Gifted Education in İstanbul University, İstanbul , Turkey 2 Hasan Ali Yucel Educational Faculty in İstanbul University, İstanbul, Turkey Presenting author: [email protected]

Aim of this study; to present an achievement test about states of matter which was developed for 10th grade gifted students based on Bloom’s Revised Taxonomy. There were a total 60 questions created, with three questions for each of the 20 goals of the Turkish National Chemistry Curriculum. Three chemistry professors, three chemistry teachers and two evaluation-assessment experts consulted to determine the level of coherence between each item’s goal of measuring outcomes and the high levels of Bloom’s revised cognitive taxonomy. There were both multiple choice qustions (51) and open-ended questions (7) in this draft test. In the second stage of the study, conducted in 2012, the draft test was applied to 264 students (9 and 11th grade) from the different high schools in İstanbul. All students tested were an advance level in their schools.Item analysis was calculated for the test. Based on the data, average test difficulty index and testdiscrimination index were calculated . For test reliability, Crombach Alfa was determined as 0.77. Based on the results of item analysis, all questions with a test discrimination index of 0.20 were eliminated . The final academic achievement test consisted of 36 multiple choice questions and 4 open-ended questions. Key words: Academic Achievement Test, Chemistry , States of Matter, Gifted Students, Turkish National Chemistry Curriculum, 10th grade gifted students.

383



The Constructivist Approach In The Undergraduate Laboratory: Using The Kinetics Of Ph-Independent Hydrolysis Of Bis (2,4-Dinitrophenyl) Carbonate To Teach Chemistry Omar A. El Seoud, Paulo A. R. Pires; Haq Nawaz, Paula D. Galgano Institute of Chemistry, University of São Paulo, P. O. Box 26077, 05513-970, São Paulo, SP, Brazil; Presenting Author:[email protected] We have used the constructivist approach in teaching experimental chemical kinetics, as well as theory to chemistry major students (fifth semester, 66 students). Obtaining reliable kinetic data is not trivial. The reason is that the students are always able to calculate rate constants, whether the experiment has been done properly or not due, e.g., to poor temperature control. This contrasts with their experience in, e.g., organic synthesis where a lower, broader m.p. indicates a problem. In order to address this problem, we have chosen the pH-independent hydrolysis of bis (2,4-dinitrophenyl) carbonate in aqueous acetonitrile in order to illustrate that controlling the experimental conditions is a prerequisite for obtaining quality kinetic data. We set the (Uv-vis) experiment so that they were able to appreciate the importance of good temperature control and thorough reagent mixing. We have employed the constructivist approach to this versatile experiment in order to teach aspects of theory, namely, calculation of activation parameters, intermediates and reaction mechanism, and meaning of isosbestic points. The results of our approach were highly positive because the students actively participated in planning of the experiment.

Keywords: Chemical kinetics; ester hydrolysis; reaction mechanism; constructivist approach; quality kinetic data

384



Creativity in Problem Solving at the Tertiary Level L. Cardellini Università Politecnica delle Marche, 60131, Ancona, Italy [email protected] One of the main goals of education is the production of analytical thinkers. The ability to solve problems is relevant for education and for successful living in our complex society. “Creative thinking and problem solving are higher-order epistemological activities of humans, which play also a major role as educational objectives in our schooling system.” [1] According to Sternberg, “Creativity refers to the potential to produce novel ideas that are task-appropriate and high in quality.” [2] Scholars argue that expertise is developed by a very long period of focused and disciplined practice. Excellence through education can only be reached by deliberate practice. [3] How can remarkable achievements and expert performance be obtained not only by gifted individuals, but by a sizable number of students? During the course I teach (9 credits, 72 hours), an active learning approach has been used. Students are asked to explain some experiments, to make résumé and concept maps on every topic covered during the course, and to work in cooperative groups for solving problems. Problems to be solved as homework are assigned after every lecture. To a group of 52 engineering students (20 women and 32 men, ages 19-22) two psychological measurements were applied: a) Formal Operational Reasoning (Group Assessment of Logical Thinking; the scores ranged from 8 to 24 (out of 24) with a mean of 18.4 and a standard deviation of 3.2) and (b) Disembedding Ability (out of a possible score of 20, the range achieved was 1-17, with a mean value of 10.2 and a standard deviation of 3.7). More than 5500 solutions of problems were collected (the range was 9-240, with a mean value of 106.5 and a standard deviation of 61). One hundred seventeen original and creative solutions of several problems have been collected, including 26 solutions to the crypto-arithmetic problem DONALD + GERALD = ROBERT. [4] The rules ask that the solutions be obtained by only using reasoning; answers found through the use of equations or systems of equations are not considered. The solution of the following problem will be reported in the talk. A mixture of CH4O, C6H6, and C7H6O weighing 44.37 g has the following elemental analysis: C = 68.74%; H = 8.905%; O = 22.355%. How many grams of C6H6 are contained in the mixture? [5] Analysing the correct and incorrect answers, it turns out that the representations are important, but not decisive. [6] What seems to play a big role and make the difference is the students’ motivation, which is at the centre of the philosophy of the European PROFILES (Professional Reflection-Oriented Focus on Inquiry Learning and Education through Science) project [7,8] References 1. W. Schnotz, C. Baadte, A. Müller, and R. Rasch., Use of Representations in Reasoning and Problem Solving. Analysis and improvement, edited by L. Verschaffel, E. De Corte, T. de Jong and J. Elen (Routledge, New York, 2010), p. 11. 2. R. J. Sternberg, Am. Psychol. 56, 360-362 (2001), p. 360. 3. K. A. Ericsson, R. T. Krampe, and C. Tesch-Römer, Psychol. Rev. 100, 363-406 (1993). 4. H. A. Simon, A. Newell, Am. Psychol. 26, 145-159 (1971). 5. L. Cardellini, Chem. Educ. Res. Pract. 7, 131-140 (2006). 6. D. Domin and G. Bodner, J. Chem. Educ. 89, 837−843 (2012). 7. http://www.profiles-project.eu/ (accessed February 10, 2013). 8. J. Holbrook, Science Education International 21, 80-91 (2010). Keywords: Creativity, Problem solving, Motivation, PROFILES project, Expert performance, Deliberate practice

385



Facile Ordering of Orbital Energy Levels and Prediction of Ground-State Electron Configuration of the Chemical Elements Osman M. E. El-Dusouqui Chemistry Department, Kuwait University, Kuwait e-mail: [email protected]

The atomic orbitals/energy sublevels could be set down [from lowest 1s to highest 8s] in their correct order in less than a minute, and with no need for memorization.* From the “table of energy sublevels” thus obtained, a simple formula is extracted to predict the ground-state electron configuration of all the elements in the integrated Periodic Table. For 100 elements, the predicted configurations match the actual configurations of these elements: all 52 s-block/p-block, 26 dblock, and 22 f-block elements. A small set of empirical “adjustment criteria” is developed to refine the predicted configurations of an additional 18 elements of the remaining 20 elements in the Table, and hence obtain their actual electron configurations. The predicted configurations of the two elements (78, 90) could not, however, be easily adjusted. The present approach is offered as an attractive, simpler, and a more user-friendly alternative compared with the bewildering arrays of tables and charts of “ground-state electron configurations of the chemical elements”, and “orbital energy levels diagrams”. Further, the approach is also amenable to programming.

* This feat is achieved by arranging the sublevels in a vertical column divided into four blocks, and segmenting each block into two. The sublevels could also be arranged in a horizontal line, but in this case the process would take longer than one minute.

386



Location Of The Lowest Priority Ligand (LPL) Dictates The Configuration Assignment Of Any Chiral/Prochiral Structure, And Of The Homochiral Product Of Virtual Stereospecific Re/Si-Face Reactions Osman M. E. El-Dusouqui and Hicham H. Dib Chemistry Department, Kuwait University, Kuwait e-mail: [email protected], [email protected]

The ligands attached to a stereogenic centre or prostereogenic centre in a chiral or prochiral structure are ordered following the Prelog-Ingold-Cahn (PIC) rules; the structure usually being represented by a Fischer Projection (a,e), a linedash-wedge formula (b,f) or re/si-faces (c,d).

The location of the ligand with lowest priority (eg (1) above) dictates that the configuration of both structures (a) and (b) is (S), and that the configuration of the homochiral enantiomeric product from the virtual stereospecific reaction in which LPL (1) and highest priority ligand (4) are introduced, respectively, into (c) and (d), is also (S)! The question is asked as to where the LPL is located in the structure: front (wedge)/back (dash), left/right, or up/down? The answer to this simple question determines whether the configuration assigned to the structure is retained, or that it has to be reversed in order to obtain the actual configuration. The same question/answer exercise applies to the assignment of the Pro-R- and Pro-S-ligands of the homochiral antipodes of the prochiral structures (e) and (f). In this communication, the universal applicability of the present approach will be described and explained, and the manipulations therein will be substantiated using models and computer graphic displays.

Keywords: Chiral, Prochiral, Homochiral, Priority

387



Teaching Chemistry With Postage Stamps: An Introduction To Chemical Philately Daniel Rabinovich Department of Chemistry The University of North Carolina at Charlotte 9201 University City Boulevard Charlotte, NC 28223, USA

Postage stamps constitute a simple yet effective means of communication, often used by governments or postal authorities to inform the general public on a variety of topics, including history, geography, literature and the arts. A surprisingly large number of stamps have also been issued to commemorate scientific discoveries or to honor well-known scientists. Significantly, postage stamps can also be used as engaging teaching tools in the classroom and to illustrate publications or enliven technical presentations. This talk will feature postage stamps and other philatelic materials pertaining to the history of chemistry, the discovery and sources of the elements, chemical structures and formulas, laboratory equipment, biochemistry, the chemical industrial and other related topics often encountered in the teaching of chemistry. As a field of study, chemical philately is also an excellent way to communicate science to the general public.

Keywords: chemical philately, postage stamps, minerals, glassware, Nobel Laureates, history of chemistry, molecules, atoms, chemical industry, education, science, laboratory

388



Use Of Chemical Methods For The Desulfurization Of Model Fuels M. N. Siddiqui1, K. R. Alhooshani1 and M. A. Gondal2 1

Chemistry and 2Physics Department, Center of Excellence in Nanotechnology (CENT), King Fahd University of Petroleum & Minerals, Dhahran 31261, Saudi Arabia Presenting author: [email protected] Most widely used source of energy in the world is still crude oil and remains so in coming future. Major portions of the crude oils are used as transportation fuels such as gasoline, diesel and jet fuel. The sulfur content and the API gravity are two properties which have a great influence on the value of the crude oil. Sulfur compounds are undesirable in refining process as they tend to deactivate some catalysts used in crude oil processing. Sulfur compounds can cause several corrosion problems in pipeline, pumping, and refining equipment, as well as the premature failure of combustion engines and poisoning the catalytic converters that used in automotive engines. The biggest concern of the sulfur nowadays is driven by the environmental regulation which is putting stringent limits for the sulfur in the transportation fuels. The sulfur content is expressed as percent sulfur by weight and varies from less than 0.1% to greater than 5% depending on the type and source of crude oils [1]. The presence of sulfur compounds has serious health and environmental consequences. Therefore, desulfurization of fuel oils has not only become very important rather need of the hour. Removal of sulfur compounds gained significant importance worldwide to produce more clean and environmental friendly transportation fuels. We have used oxidative desulfurization, adsorption methods, ionic liquids and laser as chemical methods. Thiophene, dibenzothiiophene (DBT) and 4,6-dimethyldibenzodithiophene (DMDBT) were mainly used in model fuel oil. In our preliminary study, a new ionic liquid is synthesized and tested. This ionic liquid afforded more than 90% removal of dibenzothiiophene (DBT) from model fuel. In adsorption study, activated carbon was used with the some metal coating and fairly good mount of sulfur compounds were removed. The laser-induced photochemical degradation also afforded removal of major portion of sulfur compounds from model fuel oils. Overall the chemical methods of desulfurization process provided very excellent results. The financial support provided by King Abdulaziz City for Science and Technology (KACST), Riyadh, Saudi Arabia through Project No. DRP-4-25 and facility support provided by the King Fahd University of Petroleum & Minerals, Dhahran, Saudi Arabia for this work are gratefully acknowledged. References [1] Ali, M. F.; Al-Malki, A.; El-Ali, B.; Martinie, G. and Siddiqui, M. N.: Fuel, 85 (10-11), 1354 (2006). Keywords: desulphurization, chemical methods, ODS, adsorption, ionic liquids, laser

389



Role Of Basic And Non-Basic Nitrogen Compounds On The Ultra Low Sulfur Diesel (ULSD) Hydrodesulfurization A. Al-Barood*, Mohan S. Rana, and V. Raghavan Kuwait Institute for Scientific Research, PRD, Safat 13109. Kuwait *[email protected] Deep desulfurization of diesel fuels has gained considerable importance in recent years due to environmental regulations which limit the sulfur content of diesel fuel to low levels (50 ppm or less). Diesel is extensively used as a fuel both in high way transportation and non-highway transportation systems. Thus, sulfur content of diesel fuel is required to cut down to ultra low levels in turn to meet environmental regulation that has been imposed in many countries with the aim of reducing diesel engine’s harmful emissions and improving air quality (1). The presence of nitrogen compounds in the feed competes with the refractory sulfur compound for active sites on the catalyst surface, which decrease HDS activity. Thus, removal of nitrogen compounds before hydrotreating can be effective in order to prevent inhibition effect through competitive adsorption. From this study it was revealed that a significant inhibition effect was carried out by organic nitrogen particularly basic nitrogen. The nitrogen free diesel feed was prepared by removing basic as well as non-basic nitrogen by using two step process (2). The nitrogen free diesel was spiked with the model nitrogen compounds and, extent of inhibition is studied on added nitrogen concentration (0-200 ppm N), which indicated that HDS reaction is significantly inhibited by organic nitrogen particularly by quinoline. The results also suggested that there is competitive adsorption between nitrogen and sulfur containing compounds on active sites, and nitrogen compounds inhibited HDS reactions due to the stronger δ+ capacity of adsorption. Certainly, inhibition is also depend on the H 2 partial pressure and its dissociative species (i.e., H δδ+ and H ). It is expected that basic nitrogen compounds can easily consume H ion during hydrotreating which is assume to be a rationale behind the stronger inhibition on the hydrogenation function. The observed relative decrease in activity at high concentrations of quinoline more noticeable than indole particularly at lower temperature. The results indicated that adsorbed nitrogen species showed more understandable behavior at lower temperature while at high temperature inhibition effect is not very significant, which could be due to the adsorption behavior of nitrogen species. The role of H 2S generated during the HDS and its contribution to the inhibition effect was not considered for this study, having an understood fact that small of H2S will be important to maintain the catalytic sites active. It is also expected that nitrogen poisoning effect is stronger for basic nitrogen compounds than non-basic, which may correspond to its adsorption capacity on the catalytic sites. Since nitrogen species, particularly basic nitrogen compounds, adsorb more strongly to the catalyst surface than sulfur species, they inhibit the HDS of the refractory sulfur compound via the hydrogenation route. Reference 1. A. Stanislaus, A. Marafi, M.S. Rana, Recent advances in the science and technology of ultra low sulfur diesel (ULSD) production, Catalysis Today, 153, 2010, 1-68. 2. A. Al-Barood, Removal of organic nitrogen compounds from the Kuwaiti diesel and its effect on deep desulfurization, presented in, International-Mexican Congress on Chemical Reaction Engineering, June 6-10, 2010, Ixtapa, Mexico. Keywords: Diesel, HDS, ULSD, sulfur, nitrogen free diesel

390



Thermal Cracking Of Petroleum Residues: Kinetic Analysis And Product Evaluation Faisal AlHumaidan1*, Andre Hauser1, Hassan Al-Rabiah1, Haitham Lababidi2 1

Petroleum Research & Studies Center, Kuwait Institute for Scientific Research, P. O. Box: 24885, Safat 13109 Kuwait 2 Chemical Engineering Department, College of Engineering & Petroleum, Kuwait University, P. O. Box: 5969 Safat, 13060 Kuwait * Presenting author: [email protected] Vacuum residues derived from three Kuwaiti crude oils were thermally cracked in a pilot-scale semi-batch reactor that simulates the cracking operation performance in the Eureka process; Figure 1. Experimental data was obtained at three cracking temperatures (400, 415, and 430 ºC) and three reaction times (30, 50, and 60 min) and the thermal cracking of the vacuum residues resulted in three products: cracked oil, off-gas, and pitch. The effect of operating conditions (i.e. reaction temperature and residence time) on the quality of the products and yield distribution has been investigated. The study also involve the development of a thermal cracking kinetic model, which is based on the discrete lumping approach. The kinetic analysis of the results revealed that the thermal cracking of vacuum residue follows first order kinetics and is mainly dominated by parallel pathways. The domination of parallel pathways is mainly attributed to continuous stripping of products, which hinders the over-cracking and increases the cracked oil yield. The proposed model predicted the kinetic parameters for the thermal cracking of different residual feedstock and provided a good fit to the experimental data. The stabilities of the thermally cracked oils were also evaluated using the oxidation stability test while their compatibility with the crude oils were assessed using the Oil Compatibility Model of Exxon.

Vent Fume Hood

PV PR MFC PSV DGC

Pneumatic Valve Pressure Regulator Mass Flow Controller Pressure Safety Valve Dry Gas Counter

DGC

Vent

Sampling bag

Motor Vent

Pitch Mixer PSV

Mist Trap

Chiller (50ºC)

N2 Preheater

Reactor & Furnace

PV

PR

Chiller (2ºC)

Condenser

38 /"

MFC N2

Figure 1: Schematic diagram of the thermal cracking experimental setup

References [1] AlHumaidan F, Lababidi H, Al-Rabiah H. Thermal cracking kinetics of Kuwaiti vacuum residues in Eureka process. Fuel 2013; 103:923-931. [2] AlHumaidan F, Hauser A, Al-Rabiah H, Lababidi H, Bouresli R. Studies on thermal cracking behavior of vacuum residues in Eureka process. Fuel 2013; In press, http:// dx.doi.org/10.1016/j.fuel.2013.02.036. Keywords: Thermal Cracking, Vacuum Residue, Kinetic Model

391



Xylenes Production Over Metal Loaded Mordenite-Based Catalysts Mohammad Ashraf Ali1, Syed Ahmed Ali2 Dr. Mohammad Ashraf Ali, King Fahd University of Petroleum and Minerals, Dhahran, Saudi Arabia 2 Dr. Syed Ahmed Ali, King Fahd University of Petroleum and Minerals, Dhahran, Saudi Arabia 1

Reactions of heavy reformate were conducted over metal loaded mordenite-based catalysts using a packed bed flow reaction system. The objective was to determine the effects of molybdenum (Mo) content (3.0 wt% and 1.0 wt%), mordenite (MOR) content (80.0 wt% and 67.0 wt%) and metal type (Rhenium vs. Molybdenum). The feed was 96.0 wt% C9 and 4.0 wt% C10 aromatics consisting of methylethylbenzene and trimethylbenzenes. Higher molybdenum content increased methylethylbenzene (MEB) dealkylation and trimethylbenzene (TMB) transalkylation, and resulted in increased toluene and xylenes formation. Higher Mo content showed slight effect on MEB and TMB conversion. Rhenium containing catalyst as compared to molybdenum loaded catalysts, not only exhibited higher MEB hydrodealkylation and TMB transalkylation, but also resulted in higher hydrogen consumption and methane formation. Among the reactions occured during the conversion, hydrodeethylation reaction of MEBs was found kinetically controlled and it is probably the ratedetermining step in the overall reaction scheme. A linear correlation was observed between MEB conversion and xylene yield at all reaction conditions and catalysts compositions. The following trend was observed in the conversion of A9 compounds: PBz >> 1M2EB > 1M4EB > 1M3EB >> 123TMB > 124TMB >> 135TMB. Higher molybdenum content increased both MEB dealkylation and TMB transalkylation. Rhenium-containing catalyst exhibited higher MEB dealkylation and significantly higher TMB transalkylation compared to molybdenum-containing catalyst. Keywords: Hydrodealkylation, Transalkylation, Mordenite, Xylenes, heavy reformate

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A Kinetic Study On Non-Catalytic Esterification Of Sunflower Oil For Biodiesel Production, By Dft Calculations H. Behzadi1, A. Karimi1 1

Faculty of Chemistry, Kharazmi University, 31979-37551, Tehran, Iran Presenting author: [email protected]

Biodiesel has become more attractive recently because of its environmental benefits and the fact that it is made from renewable resources. Esterification of carboxylic acids (specifically free fatty acids) is directly relevant to biodiesel. Non-catalytic esterification reactions lead to much simpler purification and environmentally friendly processes and yield commercial grade biodiesel product with little loss. Moreover, even low grade waste fatty materials such as waste greases can be used as feedstock, which was not permitted in traditional transesterification reaction due to high fatty acid content. In this work, the non-catalytic esterification of sunflower oil, which is readily applicable to actual biodiesel, was investigated. The sunflower oil sample which was chosen included Linoleic acid 72%, Oleic acid 19%, Palmitic acid 6% and Stearic acid 3%. Here the reaction was computationally modeled by Gaussian 03. The calculations for IRC and Opt + Freq jobs were performed at the DFT-B3LYP/6-31G(d) level of theory. To find translation state, QST2 method was used. Also free activation energy, ΔG**, were calculated for each fatty acids separately. In esterification reaction, water and methyl ester are in equilibrium with methanol and acid. By modifying the reaction temperature at high enough to be above boiling point of water; and also at below bubble points of methyl esters, not only reaction is completed beyond equilibrium but also no loss of methyl ester yield is achieved. In present study, pressure was kept constant at 0.1 MPa. The kinetic of the reaction was studied under different reaction conditions of temperatures in atmospheric pressure and water-free conditions. Also the effect of temperature on reaction conversion was considered. The rate constant of the kinetic model have been determined in different temperatures. Figure 1 shows a comparison between effects of different temperatures on reaction conversion. By using rate constants and Arrhenius relation, the activation energy was found to be 26.9 kJ/mol. The reaction was completed within 300min at 375°C and moderate pressure without any catalyst. Keywords: Biodiesel, non-catalytic esterification, kinetic study, sunflower oil, computational chemistry

395



Altering Morphology In Organic And Organic/Inorganic Hybrid Devices Through Control Over Polymer Chemistry Christine Luscombe Materials Science and Engineering, University of Washington, Seattle, USA

Due to the decreased availability of fossil fuels and greater understanding of the long-term global effects of CO2 and other greenhouse gas emissions, significant interest is being generated in the area of alternative energy resources. One of the most promising renewable resources lies in photovoltaics (PV) for electricity generation. Traditional, inorganic PV have shown championship efficiencies of up to 44%, and most commercially available units provide conversion efficiencies of about 25%. While extensive production of these devices could help alleviate current energy demands, high production costs have hindered product output. One way to lower the cost of devices is to manufacture devices using high throughput, roll to roll processing. In this talk, we will talk about synthetic strategies to form solution processible organic/inorganic hybrid nanoparticles and discuss their thin film properties. Keywords: organic photovoltaics, semiconducting polymers, living polymerizations

396



A Novel Perovskite Catalyst For Reforming Biogas Displaying Negligible Carbon Deposition S. E. Evans1, J. Z. Staniforth1, O. J. Good1, R. J. Darton1, R. M. Ormerod1 1

Birchall Centre for Inorganic and Materials Chemistry, Institute for Environment, Physical Sciences and Applied Mathematics, School of Physical and Geographical Sciences, Keele University, Staffordshire, ST5 5BG, United Kingdom Presenting author: [email protected]

Catalytic reforming of methane using carbon dioxide as the oxidant (Eqn. 1) is a reaction of great interest for the production of synthesis gas (H2 + CO), since in addition to generating an important chemical feedstock it simultaneously consumes two greenhouse gases. There is particular interest, as well as significant challenges, in combining it with the generation of biogas (CH4 + CO2) through the anaerobic digestion of biomass, a process that is currently significantly underutilised. CH4 + CO2 ⇌ 2H2 + 2CO

(1)

CH4 ⇌ C + 2H2

(2)

Research into the generation of electricity by direct reforming of methane using carbon dioxide in solid oxide fuel cells has been steadily increasing over the last few years, with much of the focus on using nickel supported yttria stabilised zirconia anodes [1,2]. These materials, however, suffer from severe lifetime issues due to unwanted carbon deposition caused by side reactions (Eqns. 2 and 3) and limited tolerance to sulphur that result in deactivation and limit their commercial viability. This solid formation of carbon blocks catalytically active sites and disrupts fuel distribution at the anode as well as breaking anode micro structure eventually leading to cell failure.

2CO ⇌ C + CO2

(3)

An alternative approach to using conventional nickel cermet anodes is to use mixed oxide materials. However, typically such materials show low catalytic activity and poor selectivity towards synthesis gas formation, favouring total oxidation products. In this presentation we show a novel, hydrothermally synthesized perovskite material that reforms biogas with negligible levels of carbon formation regardless of excess methane in the reactant feed. This material has significantly lower tendency to form deleterious carbon without sacrificing reforming activity and has been shown to be catalytically stable for extended periods of time (Fig.1). Figure 1: Biogas Reformation (Methane:Carbon Dioxide Ratio 2:1) at 850°C for 10 days over Perovskite Material References 1 A. Lanzini and P. Leone, Int. J. Hydrogen. Energ. 55, 2463-2476 (2010) 2 S. Mcintosh and R. J. Gorte, Chem. Rev. 104, 48454865 (2004) Keywords: Methane, Carbon Deposition, Hydrogen, SOFC, Solid Oxide Fuel Cell, Anode, Perovskite, Hydrothermal, Synthesis Gas, Catalyst,

397



Elastomeric Reflective Maintenance Coatings Increase The Longevity And Energy Savings Of Bitumen Roofing Joseph Rokowski, Klairie Gounaridi, Brown Joseph, Beyhan Gözoğul DOW Chemical Globally, bituminous roofing materials represent the largest roofing material segment on a square meter basis especially in the segment of flat roofs. In Europe almost half of the roofing jobs are related to repair and maintenance and because bituminous roofing is a significant segment in Europe, it is important to understand how to improve the sustainability of existing roofs. In this paper white reflective acrylic maintenance coatings are applied over aged bitumen-based roofs and allowed to weather for 6 years. Test cut samples are analyzed chemically and via optical and scanning electron microscopy techniques and compared to uncoated areas subject to the same weathering. A mechanism for the weathering of bituminous roofing materials is proposed, and the effect of acrylic maintenance coatings in reducing the adverse effects of weathering is also clearly elucidated and documented. The economic, environmental and health benefits of such white reflective roof coatings applied over bitumen and other roofing surfaces is reviewed. Keywords: Bitumen, Reflective, Coatings Increase

398



AC Impedance Spectroscopy And Thermal Properties Of Solid Polymer Electrolytes Based On Modified Natural Rubber Chin Han Chan1, H.W. Kammer1, Siti Nor Hafiza Mohd Yusoff1, Lar Har Sim1,2, Tan Winie1 1 Faculty of Applied Sciences, Universiti Teknologi MARA, 40450 Shah Alam, Selangor, Malaysia. 2 Pusat Asasi, Universiti Teknologi MARA, 40450 Shah Alam, Selangor, Malaysia. Presenting author: [email protected], cchan@salam, uitm.edu.my Various modified natural rubber (MNR) solid polymer electrolytes were studied. Deproteinized natural rubber (DPNR), epoxidized natural rubber with 25 and 50 mol% epoxide content (ENR-25 and ENR-50) and poly(methyl methacrylate)-gnatural rubber with 37 and 57 mol% of poly(methyl methacrylate) (PMMA) content (MG-37 and MG-57) were added with weight fraction (WS) of LiClO4 from 0.0099 to 0.231. Li salt has very low solubility in DPNR where the maximum dc-9 -1 o conductivity (DC) is 4·10 S cm at WS = 0.167 and at 30 C. This is in agreement of the results of glass transition temperature (Tg) using differential scanning calorimetry (DSC) and interaction of polymer and salt using Fourier-transform infra red (FTIR). Maximum DC of ENR-25 (WS = 0.200), ENR-50 (WS = 0.130), MG-37 (WS = 0.167) and MG-57 (WS = 0.130) -7 -8 -6 -6 -1 are 4·10 , 2·10 , 5·10 and 4·10 S cm , respectively. The availability of oxygen atoms as the electron donor in ENR and MG is important for the coordination of Li salt to the polymer segment and enhances the solubility of the salt in MNR, which leads to increase of DC of ENR/LiClO4 and MG/LiClO4 as compared to that of DPNR/LiClO4 systems. For ENR/LiClO4 and MG/LiClO4, when WS < 0.167, we always observe imaginary part of the impedance (Z") > real part of the impedance (Z'). This means the systems are similar to capacitors rather than resistors. Suddenly, one observes a jump in DC by one or two orders of magnitude at very high salt content, when dipole relaxations start. Addition of salt to a polymer may lead to formation of dipoles between ions and chain molecules. Impedance measurements reflect relaxation of these longitudinal dipole components since they relax sufficiently slowly. Dipole relaxations occur as maxima in plots of Zʺ as a function of frequency (f). Polarization relaxations occur in ENR and MG only at very high salt concentrations. As a consequence, weak electrolyte behaviour of ENR/LiClO4 and MG/LiClO4 in the low salt region is noted. There is only weak interaction between salt molecules and polymer chains. This agrees with negligible changes in Tg of ENR-25 and MG-30 with addition of LiClO4. Location of the maximum in plots of Zʺ vs f does not change significantly in ENR and MG at high salt concentration. But, DC jumps by one or two orders of magnitude when dipole relaxations start. This hints towards formation of a percolation network in the ENR/LiClO4 and MG/LiClO4 systems. The salt concentration threshold is high. We compare various MNR/LiClO4 systems with popular candidate of solid polymer electrolytes, i.e. poly(ethylene oxide) (PEO) with addition of LiClO4. Polarizations (or dipole relaxations) in PEO occurs at extremely low salt content (WS = 0.0049). PEO is internally heterogeneous (concentration fluctuations); however MG or ENR does not have internal heterogeneity. As a result, the transition insulator-conductor of ENR/LiClO4 and MG/LiClO4 systems becomes only eminent at very high salt content. The internal heterogeneity is not in ENR or MG but it is created by addition of tremendous amounts of salt. Heterogeneities are observed in PEO/LiClO4 systems right from the beginning at extremely low concentration of LiClO4. This suggests concentration fluctuations in PEO are not caused by addition of LiClO4 although they are adopted by LiClO4. Keywords: Solid polymer electrolytes, natural rubber, epoxidized nature rubber, natural rubber-graft-poly(methyl methacrylate)

399



Preparation Of Zirconium Carbonate As Solid Base Catalyst For Glucose Isomerization And Production Of Value-Added Compounds P. A. Son, S. Nishimura and K. Ebitani* School of Materials Science, Japan Advanced Institute of Science and Technology 1-1 Asahidai, Nomi, Ishikawa, 923-1211, Japan Presenting author: [email protected] Glucose, the most abundant natural monomer of lignocellulose, has been used for production of value-added chemicals or fuels [1]. Since glucose is quite stable whereas fructose (isomer of glucose) possesses higher reactivity [2], the direct transformation of glucose to value-added compounds is not as efficient and selective as from fructose. Herein, we develop new solid base catalyst based on zirconium carbonate (ZrC) for the isomerization of glucose to fructose and attempt to apply it for one-pot synthesis of levulinic acid (LA) as well as -valerolactone (GVL) in the combination with solid catalysts. Result and discussion:

Figure 1. Effect of reaction temperature on fructose yield using ZrC catalyst. Conditions: glucose (0.3 g, 1.67 mmol), ZrC (0.3 g), water (3 mL).

Figure 2. Time profile of LA production. Conditions: glucose: (0.3 g, 1.67 mmol), ZrC (0.15 g), Amberlyst-15 (0.3 g), o temperature (120 C), water/toluene (1.5mL/1.5mL).

o

Below 100 C, the isomerization took place slowly and needed long time to reach maximum yield of fructose. The fructose o yield could reach maximum value of 34% after 10 min when performing reaction at 120 C (Fig. 1). The prepared ZrC also revealed a good recyclability when reused 5 times without significant loss of activity. In the one-pot production of LA from glucose, ZrC could pair with a solid acid catalyst, Amberlyst-15, in water/toluene biphasic solvent to afford 17% yield of LA after 12 h dehydration reaction (Fig. 2) [3]. ZrC could also couple with Ru/C catalyst to produce 18% yield GVL from glucose in the presence of formic acid as acid catalyst and hydrogen source for dehydration and hydrogenation, respectively. Conclusion: ZrC can act as a heterogeneous and reusable base catalyst for the glucose-fructose isomerization in wide range of temperature. The working ability at high temperature makes it to be suitable for the application in further reactions such as production of LA or GVL. References 1. H. Heeres et al., Green Chem. 11, 1247-1255 (2009); X. Tong et al., Appl. Catal. A: Gen 385, 1-13 (2010); A. Takagaki et al., ACS Catal. 11, 156-1565 (2011). 2. A. Corma et al., Chem. Rev. 107, 2411-1502 (2007). 3. P. A. Son et al., submitted for publication. Keywords: Zirconium carbonate, isomerization, solid base catalyst

400



Oxidation Of Methane Fuel On A Rhodium Catalyst Bed O. Tuncer1 1

Istanbul Technical University, 34469, İstanbul, Turkey Presenting author: [email protected]

Catalytic combustion of liquid hydrocarbons has the potential to play an important role in small scale energy conversion devices where the volume is at a premium. A preliminary step for this goal is the investigation of methane combustion since it is the simplest hydrocarbon fuel although it is in gas phase at room temperature. With these considerations in mind methane oxidation on a Rhodium catalyst bed was investigated numerically. Primary products of this partial oxidation are hydrogen and carbon monoxide. Deutschmann and Schmidt’s 38 step kinetic mechanism was used to represent the chemistry. This mechanism consists of three types of elementary reactions; adsorbtion, desorbtion and surface reactions. One dimensional reactor can be split into two distinct regions according to the results. In the first region oxygen is in abundance, yet in the second region oxygen supply is depleted. By looking at the rate of change of methane concentration it is possible to conclude that oxidation speed abruptly changes in the absence of oxygen. Furthermore, it is observed that almost all species demonstrate similar behavior. All behave differently within these two regions. Close to the reactor inlet a lot of H2O is formed, however when oxygen becomes extinct this species plays an oxidizing role, its concentration decreases and it is reduced to hydrogen. Hydrogen is produced all throughout the reactor but its production rate suddenly jumps shortly after the inlet. Carbon monoxide and carbon dioxide are both produced at similar rates however in the second region carbon monoxide concentration keeps on increasing whereas the concentration of carbon dioxide stays almost constant. Keywords: catalytic combustion, methane partial oxidation

401



Synthesis And Characterization Of High Temperature Proton Exchange Membranes For Pemfc Application L.Işıkel Şanlı, S. Alkan Gürsel Sabancı University, 34956, İstanbul, Turkey Presenting author: [email protected] Several studies investigated alternative and cost competitive proton-exchange membranes to improve the overall polymer electrolyte membrane fuel cell (PEMFC) efficiency and material costs, however very few of them can achieve this aim. The present study uses the radiation-induced grafting method and applies it onto poly (ethylene-alt-tetrafluoroethylene) (ETFE) for the synthesis of proton-exchange membranes using monomers 4-vinyl pyridine (4VP), 2-vinyl pyridine (2VP), N-vinyl-2pyrrolidone (NVP) followed by phosphoric acid doping. Phosphoric acid that provides Grotthuss transport mechanism in proton mobilization is used to transform the graft copolymers to a high temperature membrane state, thus yielding ETFE-gP4VP, ETFE-g-PNVP and ETFE-g-P2VP phosphoric acid doped new high temperature membranes. Resultant protonexchange membranes are verified with their proton conductivity as a function of temperature and relative humidity (RH), water uptake, mechanical and thermal properties, phosphorous distribution as ex situ characterization. The fuel cell relevant properties were also investigated in our study. ETFE-g-P4VP membranes were tested in H2/O2 PEMFC system operational at 80 °C and 120 °C and RH PhCN > MeOH), which could be accounted for by considering the differences in the solvation of the ligand as well as free and complexed alkali-metal cations in the solvents used. Figure 1: Structure of L. +

+

Interestingly, macrocycle L was proven to be a better binder of Li compared to Na in PhCN, which was in contrast to MeCN + as a solvent. That could be explained by the inclusion of a PhCN molecule into the ligand hydrophobic cone of the LiL complex observed in the solid state. More precisely, in the molecular structure of the lithium complex of L determined by + the X-ray diffraction analysis, the PhCN molecule bound in the calixarene basket was found to coordinate the Li cation by its nitrile group, which is energetically quite favourable. The experimental results were supported by those obtained by MD simulations. References 1. G. Horvat, V. Stilinovid, T. Hrenar, B. Kaitner, L. Frkanec, and V. Tomišid, Inorg. Chem. 51, 6264 (2012). Keywords: calixarenes, alkali-metal cations, complexation, thermodynamics, solvation

604



Adsorptive Removal Of Cu2+ With Novel Alumina, Iron Oxide And AluminaIron Oxide Modified Polymeric Composites Mehtap Erşan1, Esra Bağda2, Feride Düğenci1, Elif Bulut1, Derya Öztürk2, Demet Arslanali2 1

Cumhuriyet University, Engineering Faculty, Chemical Engineering Department, Sivas, Turkey. 2 Cumhuriyet University, Sciences Faculty,Chemistry Department, Sivas, Turkey. Presenting author: [email protected]

For removal or degradation of contaminants, several methods including biological and physico-chemical technologies have been developed such as anaerobic treatment, coagulation, electrocoagulation,flotation, filtration, ion exchange [1]. However, most of those methods have suffered from some of the disadvantages such as inefficient removal of dye, relatively high operating cost and high-energy requirement. Adsorption technique is quite simple, and there is a wide range of adsorbents available [2, 3, 4]. 2+ In this study, removal of Cu from aqueous solution with different composite material was investigated. Alumina, 2+ iron oxide and aluminairon oxide modified polymeric composites has been developed for removal of Cu ions from aqueous solution. Various factors affecting the uptake behavior such as pH, contact time, temperature, ionic strength, 2+ amount of composite material and initial concentration of Cu were investigated. The kinetics was evaluated utilizing the Lagergren pseudo-first-order, pseudo-second-order models. The equilibrium data were analyzed using Langmuir, Freundlich isotherms. Thermodynamic parameters of adsorption were also determined. Importantly, prepared polymeric composites 2+ were able to remove significant amount of Cu from aqueous solutions. References 1. E. Bağda, Desalin. Water Treat 43, 63-75 (2012). 2. M. Erşan, E Bağda; E. Bağda. Colloids Surf. B. 104, 75-82 (2013). 3. E. Bağda, E. Bağda, J. Environ. Prot. Ecol. 13, No 2, 517–531 (2012). 4. U. Açıkel, M. Erşan, Journal of Hazard. Mater. 184, 632–639 (2010). Keywords: Adsorption,Cu2+

605



Molecular Functions In Si-Device For Single-Electron Memory Yutaka Wakayama International Center of Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science (NIMS), 305-0044 Tsukuba, Japan E-mail: [email protected] Our main purpose is to develop a single-electron memory by taking advantages of molecular functions. A key point of this study is to integrate organic molecules into Si-based device architechture. Here, we present the process to prepare a metal-oxide-semiconductor (MOS)-device with molecules, fundamental mechanism of electron tunneling and potential of optical control of electron tunneling for optoelectronic memory device. For practical development, quantum dots for the floating gates in single-electron tunneling should be well designed on nanometer scale. For example, the size of the floating gates should be a few nanometers for realizing room temperature operation. Size uniformity of the gates is also another important factor for fine control of threshold voltage (Vth). To meet these requirements, we adopted organic molecules for the floating gates [1,2]. The molecules those were fullerene (C60) and Cu-phthalocyanine (CuPc) were embedded in a MOS structure (see the illustration in Figure). Staircases in current-voltage curves were observed in a double-tunneling junction consisting of Au/Al2O3/C60 (or CuPc)/SiO2 multilayers on Si(100) substrates. Here, C60 (CuPc) and Al2O3, SiO2 layers served as floating gates and tunneling barriers, respectively. We elucidated that the observed staircases can be attributed to resonant tunneling through the empty and occupied energy levels of the C60 (CuPc) molecules [3]. The energy diagram is drawn in Figure. These results clearly indicate that the Vth for single-electron tunneling can be tuned precisely as requested by designing molecular structure. Furthermore, the sample configuration of our study is compatible with the conventional MOS-FET memory device and, therefore, these results demonstrate the potential of practical use of molecules as floating gates for the single-electron memory device. Additionally, we found that electron tunneling were modified by light irradiation, which was a clear demonstration of optical controllability of electron tunneling through molecular floating gates.

Figure 1: Device and molecular structures, and energy diagram for resonant electron tunneling References 1. Y. Wakayama et al., J. Appl. Phys. 94 (2003) 4711-4713 2. Y. Wakayama et al., Appl. Phys. Lett. 85 (2004) 329-331. 3. R. Hayakawa et. al., Adv. Func. Mater. 21 (2011) 2933-2937. Keywords: single-electron memory, resonant tunneling, MOS device, molecular orbital

606



Isolation And Structure Elucidation Of The Constituents Of Some Anatolian Nepeta Species With Bioactivities A. Yılmaz1, G. Topçu1 1

Department of Pharmacognosy/Phytochemistry, Faculty of Pharmacy, Bezmialem Vakif University, 34093, Istanbul, Turkey [email protected]

The genus Nepeta (family Lamiaceae) has a worldwide distribution with over 250 species [1]. In Turkey, Nepeta species are represented by 41 taxa, of which 18 are endemic. Secondary metabolites of Nepeta species are mainly terpenoids (monoterpenes, diterpenes, triterpenes), iridoids and their glucosides and flavonoids. Phytochemical analysis of some Nepeta species was carried out by our group in the previous studies and some terpenoids (nepetalactones, triterpenoids, steroids) and iridoid glucosides were obtained [2,3]. In the present study, the bioactivities of the methanol extracts of eight Nepeta species (N. baytopii, N. fissa, N. italica, N. nuda, N. obtusicrena, N. sorgerae, N. sulfuriflora, N. transcaucasica) growing in Anatolia were investigated in vitro. Their antioxidant activity was investigated by complementary four assay methods, lipid peroxidation inhibitory activity, DPPH free radical scavenging activity, ABTS cation radical scavenging activity and CUPRAC (cupric ion reducing antioxidant capacity). Their anticholinesterase activity was detected by Ellman’s method in vitro against AChE (acetylcholinesterase) and BChE (butyrylcholinesterase) enzymes. Since the extracts of N. obtusicrena and N. sorgerae showed high anticholinesterase activity against AChE (acetylcholinesterase) enzyme, phytochemical analysis of N. obtusicrena and N. sorgerae was carried out. The dichloromethane extract of Nepeta sorgerae led to the isolation of a novel isopimarane diterpenoid sorgerolone [4]. A novel abietane diterpenoid obtusicrenone, and a novel triterpenoid 2α,3β,19β,23-tetrahydroxy-11-oxo-olean-12-en were obtained from the dichloromethane extract of Nepeta obtusicrena. Two known triterpenoids, oleanolic acid and ursolic acid were also obtained from the both Nepeta species and isolated two diterpenoids and three triterpenoids showed high anticholinesterase activity. Against AChE enzyme, besides N. sorgerae and N. obtusicrena extracts, the methanol extracts of N. transcaucasica, N. sulfuriflora, N. nuda and N. italica exhibited fairly high inhibitory activity. The only N. baytopii exhibited moderate-high activity against both enzymes AChE and BChE. The methanol extracts of N. baytopii, N. italica, N. nuda, N. sulfuriflora and N. transcaucasica showed high ABTS cation radical scavenging activity and the methanol extract of N. obtusicrena showed moderate activity, as well. The extracts of N. baytopii, N. italica and N. sulfuriflora exhibited moderate DPPH free radical scavenging activity. However, none of the extracts showed significant lipid peroxidation inhibitory (β-carotene bleaching method) and CUPRAC (cupric ion reducing antioxidant capacity) activities.

Figure 1: Sorgerolone

Figure 2: Obtusicrenone

607

1 15.08.2013 / ORAL PRESENTATIONS Chemistry Education / CE-O-11


Learning To Teach Nature Of Science – The Impact Of An Explicit And Contextualized Approach Ch. S. Reiners1 1

Herbert-Lewin-Straße 2, 50931 Cologne, Germany E-mail: [email protected]

“Although almost everyone agrees that we ought to teach students about the nature of science, there is considerable disagreement on what version ought to be taught” [1]. In the meantime several implicit and explicit approaches have been tested and it seems as if the explicit approach is the most promising [2]. But research has also revealed that even if the students gain a certain understanding of Nature of Science, this does not automatically enable them to teach it [3]. Recently contextualization and functionalization have been revealed as additional necessary conditions for an effective instruction [4,5,6]. Following these suggestions and referring to results of our own former studies with implicit and explicit approaches [7] a contextualized and functionalized explicit instruction was used in a pre-service chemistry teacher course. Data were collected by an open-ended questionnaire in conjunction with semi-structured individual interviews before and after the course, in order to generate in-depth-profiles and their development. Results and implications for developing a sustainable understanding of Nature of Science that enables teacher students to put it into practice are discussed. References [1] W. B. Stanley, N. Brickhouse, N., Science Education, 2001, 85, 35-49. [2] N. G. Lederman: Nature of Science: Past, Present, and Future. In: S.K. Abell, N.G. Lederman (eds.) Handbook of Research on Science Education, 2007, p. 831–879. Lawrence Erlbaum, New Jersey, London, 2007. [3] F. Abd-El-Khalick, N.G. Lederman, International Journal of Science Education, 2000, 22, 665–701. [4] R.L. Bell, J.J. Matkins, B.M. Gansneder, Journal of Research in Science Teaching, 2011, 48, 414-436. [5] D. Allchin, Science Education, 2011, 518-542. [6] F. Abd-El-Khalick, Physics Education, 2002, 37, 64-68. [7] J. Bruns, Auf dem Weg zur Förderung naturwissenschaftsspezifischer Vorstellungen von zukünftigen Chemie-Lehrenden, Logos, Berlin, 2009. See also Ch. S. Reiners: Reflection on Nature of Science (NOS) Aspects by Teaching Scientific Inquiry. In: L. Menabue, G. Santoro (eds.) New Trends in Science and Technology Education, pp. 207-214, Clueb, Bologna, 2010. Keywords: Pre-service Teacher Education, Nature of Science

608



Use Of History Of Science In Teaching Heat And Temperature: What If Thermometers Do Not Exist? Musa Şahin, Oya Ağlarcı, Hakan Sarıçayır Marmara University, Atatürk Faculty of Education, İstanbul, Turkey Presenting author: [email protected] Raising scientifically literate people is one of the most important aims of science education. A scientifically literate person should understand what science and scientific procedures are and make decisions based on that knowledge (NRC, 1996). Understanding nature of science is one of the ways of raising scientifically literate people. Nature of science (NOS) refers to epistemology of science; science as a way of knowing, or the values and beliefs inherent to the development of scientific knowledge (Lederman, 1992). In this study, the effect of an activity designed for improving prospective teachers’ views towards the NOS is examined. The study was constructed in the light of constructivist/interpretive paradigm and case study design was benefited. The activity was used in a “History of Science” class in which twenty eight prospective chemistry teachers (PCTs) participated. The PCTs were in their final year of education and they completed their pedagogical content knowledge courses. In the History of Science class, it was aimed to develop PCTs’ understandings related to the NOS with explicit-reflective instruction and the “history of thermometer” activity was one of the activities used for this purpose. In this activity, we introduced the differences between heat and temperature and the invention of the thermometer to PCTs. By this means, our purposes are developing PCTs’ understandings of the NOS as well as teaching them the historical evolution of an equipment which they use very often in their laboratory classes. The creativity and imagination of scientists, the subjectivity and tentativeness of science were discussed with the PCTs and the targeted aspects of the NOS were underlined in the class discussion. In the activity, the PCTs were introduced firstly thermoscope, the earlier and closely related thermometer. Then, they studied the differences between thermoscope and thermometer. Also, different thermometer types (Fahrenheit, Celsius and Kelvin Scales) and the differences between them were discussed. An open ended questionnaire designed by the authors was used and it was implemented after the intervention. Views of Nature of Science Questionnaire (VNOS-C) was selected as the second data- gathering instrument and was implemented as pre and post test. The intervention was recorded digitally and transcribed. After the activity, most of the PCTs mentioned that they understood creativity and imagination played an important role in science. 90% of them stated scientists’ creative thinking and imagination helped them develop more accurate and standardized scales. They also recognized factors (such as gender, nationality, religion) that affect scientists and science as well. A great number of them (n=20) emphasized the tentativeness and subjectivity play an important role in science. They indicated the scientists’ subjectivity (their different purposes, backgrounds, education) lead them to design different thermometers in the same time period. Their post test result scores showed that their understandings improved in comparison to the pretest scores. It can be suggested that using such examples from history of science can be used as an alternative method when introducing both nature of science and chemistry concepts to students and teachers. References 1. National Research Council. (1996). National science education standards.Washington, DC: National Academic Press. 2. Lederman, N. G. (1992). Students’ and teachers’conceptions of the nature of science: a review of the research. Journal of Research in Science Teaching, 29(4), 331-359. Keywords: History of Science, Nature of Science, Prospective Chemistry Teachers, Thermometers

609



Reflective Inquiry-Contexts In Chemistry Teacher Education A. Schumacher1, Ch. S. Reiners2 1

Herbert-Lewin-Str. 2, 50931, Cologne, Germany Herbert-Lewin-Str. 2, 50931, Cologne, Germany Presenting author: [email protected] 2

Authenticity as a catchword in science education holds various meanings. The presented study focuses on authentic learning environments which resemble chemistry practice, i.e. how chemistry works as a science. The project bases upon two assumptions: a) without an explicit-reflective approach students will not gain knowledge about chemistry [1]; b) teachers’ adequate conceptions constitute a necessary but not a sufficient condition for translating these conceptions into school practice [2]. In the first part of the project course elements to stimulate reflection were evaluated [3]. The students were offered an opportunity to transform their conceptions of chemistry practice into a practical activity for pupils in order to find out if further support is needed. One major finding was that the students lack experience with inquiry-based contexts (as opposed to cook-book chemistry). Therefore another chemistry education course was developed which offers a reflective inquiry-based context. This course took place in the winter semester 2012/13 and was divided into three parts: At first the participants conducted a guided inquiry [4]. In the second part the teacher students reflected their inquiry experience from different perspectives; a chart portraying aspects of chemistry practice was generated and connected to the school perspective. The students developed and discussed ideas for activities or lessons which address these aspects. A multi-method approach was chosen; the research tools include questionnaires, portfolios, interviews, students’ artifacts as well as reports by a participatory observer. The material is analyzed according to qualitative content analysis with a combination of deductive and inductive procedures [5]. First results show that the course is successful in stimulating students’ reflections about their pre-conceptions of chemistry practice. For most of the students it was their first “real” inquiry experience, so this constitutes a valuable addition to the already existing course elements. The application of the developed chart to the school curriculum proved to be fruitful, since the teacher students realized that implementing contexts which promote an understanding about science can also be integrated into the science learning. The talk will present the course in detail as well as results and implications for the design of a new teaching module for chemistry teacher education. References 1. F. Abd-El-Khalick and N.G. Lederman, Int. J. Sci. Educ. 22, 665–701 (2000). 2. N. G. Lederman, J. Res. Sci. Teach. 29, 331–359 (1992). 3. A. Schumacher and Ch.S. Reiners, Sci. & Educ., DOI 10.1007/s11191-012-9552-7. 4. R.L. Bell, L. Smetana and I. Binns, Sci. Teach. 72, 30-33 (2005). 5. P. Mayring, The role of the researcher in qualitative psychology edited by M. Kiegelmann (Huber, Tuebingen, 2002), pp. 139–148. Keywords: pre-service teacher education, authentic learning environments

610



On Moral Philosophy Of Chemistry M.Ch. Michailov1, Eva Neu1, Selma Krammer1, Peter Birkenbihl1, Manfred Holler2 1

Inst. Umweltmed. c/o ICSD e.V.: Innsbruck, Muenchen, New Delhi, Paris, Sofia, POB 340316, 80100 Muenchen, Germany 2 FB Wirtschaftswissenschaften (Dean), Univ. Hamburg, 20146 Hamburg, Germany Presenting author: [email protected] I. Introduction: Chemistry (Nobel Price-discipline) supports enormous progress in humanity, but misuse of discoveries lead to disastrous repercussions in ecology & medicine. Beginning with Kant (200 years ago) till today fundamental sciences (physics, biology, medicine, etc.) are considered in context of ethics & epistemology (physical/quant-philosophy, medical bioethics, etc.), but not chemistry. Future needs establishment of philosophical chemistry incl. ethics/epistemology/aesthetics (e.g. crystallography) in chemical research-education-technology. II. Conception: (a) Foundation of philosophical chemistry could be realized by appointment of common commissions to international societies for chemistry & philosophy (IUPAC/FISP), also to national ones, (b) implication of chemistry & philosophy in scientific topics: philosophical chemistry, e.g. in World Congr. Philosophy FISP-2013 are given topics about philosophy of physics (no.60), medicine (no.20), psychology (no.15&42), but not chemistry! and (c) scientific congresses incl. IUPAC as well as regularly philosophical topics in chemical journals, (d1) foundation of elementary departments for philosophical-chemistry to chemical faculties/research centres, (d2) which could be united in national, continental (e.g. American, European) and international institutes for chemistry via network of units from selected countries in context of creation of international universities proposed by Bertrand Russell (British Nobel Laureate), (e) implication of elementary philosophy in chemical education, etc. III. Conclusion: Implication of philosophy in chemistry is necessary for the future development of humanity leading to better education in chemistry (a), developing help (b), counteraction of misuse of chemical discoveries (c) in context of UNO-Agenda 21 for better health-education-ecology in all countries. IUPAC, together with national chemical societies (American-British-French-German-Indian-Turkish, etc.) could play a leading role in this essential scientific development. Dedication to support 2012-1980 of Nobel-Laureates M.EIGEN/Germany, H.G.KHORANA/India-USA, Y.T.LEE/China, L.PAULING/USA, Lord A.TODD/GB References 1 I. Kant, Metaphysik der Sitten, Bd. 5, Könemann Verlag (Köln, 1995) 2 Bioethics Commission Turkish Nat. Comm. for UNESCO (ed.): Universal declaration on bioethics: social responsibility and health (Istanbul, 2011) 3 M.Ch. Michailov, E. Neu et al., Proc.Conf.Eur.Ass.CentresMed.Ethics & Med.Philos. (EACME) edited by Turkish Bioethics Ass.: Yesim Ülman, Mutar Coker (Istanbul 2011), p. 64-65 4 E. Neu, M.Ch. Michailov et al., World Congr.Philos., Proc. edited by J. Kucuradi (Istanbul, FISP-2003), p. 279-281; FISP-2008 Seoul (DVD-2010), Bd. 20:204-214, 37:195-200, 45:230-237 5 J. Nida-Rümelin in: Weltprobleme (München, 1995), p. 307-331 Keywords: Ethics, UNO Agenda 21, chemistry and philosophy

611



Quality Eurolabels® In Chemistry, To Foster Student Mobility And Recognition, At Bachelor, Master And Doctoral Levels. P. Mimero1, R. Salzer2, et coll. 1

2

ECTN Association, CPE Lyon, 69616 Villeurbanne, France ECTN Association, Technical University of Dresden, Germany Presenting author: [email protected]

ECTN Association [1] is playing an important role in the harmonization of the European Higher Education Area, and is offering high quality services for the chemical education. The main benefits are offered to students, at the academic exchanges and international recognition levels, and also to professionals facing career development. Major updates will be introduced during the oral presentation. One of the major achievement are the visible products of the “Tuning Chemistry” in Europe process, leading to the Quality ® ® Eurolabels [2] for HE degrees in chemistry ran by ECTNA Label Committee. The three Chemistry Quality Eurolabels are: ® ® Eurobachelor , Euromaster , and the new Eurodoctor, awarded to Universities or Institutions preparing chemistry degrees, and complying with International Quality Standards. These labels are providing a “passport” for employability and mobility. The EurChem label, is an individual international professional qualification, delivered by the European Chemistry Registration Board, and is to complete the labeling proposal. In addition, and currently in development, the Transparency database to improve the transnational visibility of degrees in chemistry (composition, ECTS Credits, …). Complementary services are offered via the Virtual Education Community, providing: ® Training and Certification, to validate the chemistry knowledge associated to the Eurolabels , using assessments ® in chemistry at different levels and languages (EChemTest ) [3]; tests delivered online at Test Centers in different countries. Knowledge database, to provide and share chemical content, with Learning Object Repository approaches (a new development currently at the bench). Communication services, available through a web portal, combined with 2 different medias, the NewsLetter [4] open to a wide public and the VirtualComm, publishing papers in Chemical Education for the community. A number of working packages are also in development within the European Chemistry and Chemical Education and Engineering Network (EC2E2N) [5], which will produce in the coming two years, important deliverables for sustainability of our educational actions, to be implemented in the current Association services above described, and to provide the lines and perspectives of our development for the future (EHEA 2020). References 1. ECTN Association (www.ectn-assoc.org) 2. Chemistry Quality Eurolabels (www.chemistry-eurolabels.eu) 3. European Chemistry Test (www.echemtest.net) 4. NewsLetter (www.ectn-assoc.info) 4. EC2E2N (www.ec2e2n.net) Keywords: Eurolabels, Quality Standard, EHEA, Tuning Chemistry, Eurobachelor, Euromaster, Eurodoctor, EurChem, EChemTest

612



On Integrative Chemistry In Education And Research Eva Neu1, M.Ch. Michailov1, Guntram Schulz2, Govindaraja V. Iyengar3, M. Schratz4 1

Inst. Umweltmed. c/o ICSD e.V.: Innsbruck, Muenchen, New Delhi, Paris, Sofia, POB 340316, 80100 Muenchen, Germany 2 Philos. Fac., Univ. Muenchen, 80539 Muenchen, Germany 3 IAEA/UNO, 1400 Vienna, Austria 4 Fac.& School of Education (Dean), Univ. Innsbruck, 6020 Innsbruck, Austria Presenting author: [email protected]

Introduction: Caused by enormous information a holistic and multidimensional consideration of physical, chemical, biological systems, similar to scientific universalists – Aristoteles, Descartes, Hume, Kant, Leibniz, Plato - is today impossible. Only an interdisciplinary “collective scientific reason” could help for higher effectiveness and pluralistic internationalization leading to better situation of humanity in context of UNO Agenda21 for better education, ecology, health etc in all countries. Conception: Foundation of international institutes for physics, chemistry, physiology, etc. via a network of national ones based on new paradigmatic models (scientific and administrative) could promote: 1. International educational programmes for post graduates (general, special chemistry – biological, ecological, physical, etc., similar to post graduates education in medicine), also 2. philosophical fundamentals of chemistry i.e. epistemology (incl. metaphysics and scientific theory), ethics, aesthetics, 3. interdisciplinary research incl. bio-, eco-, medical chemistry, 4. new kind of administration, e.g. 2-3 permanent honorary and elected (fixed-term) directors, 5. possibility for whole life work, etc. Conclusion: Support of this conception by IUPAC and national chemical societies – American, British, Bulgarian, Egypt, French, German, Indian, Turkish, etc. - could lead to new dimension not only in development of chemistry, but also of biology, ecology, medicine, pharmacy, etc. Suggested international institutes incl. for chemistry could be united in future international universities, proposed by British Nobel Laureate Bertrand Russell incl. principals about experimental schools, proposed by Immauel Kant. Dedication to support 2012-1980 of Nobel-Laureates S.BERGSTSTRÖM/Sweden, D.HERSCHBACH/USA, B.JOSEPHSON/GB, H.MICHEL/Germany, S.TONEGAWA/Japan-USA References 1 I. Kant, Anthropolgy Weischedel, Bd. 11, 12 2 E. Neu, M.Ch. Michailov et al., World Congr.Philos., Proc. edited by J. Kucuradi (Istanbul, FISP-2003), p. 279-281; FISP-2008 Seoul (DVD-2010), Bd. 20:204-214, 37:195-200, 45:230237 3 M.Ch. Michailov, E. Neu et al., Proc.Conf.Eur.Ass.CentresMed.Ethics & Med.Philos. (EACME) edited by Turkish Bioethics Ass.: Yesim Ülman, Mutar Coker (Istanbul, 2011), p. 64-65 4 E. Neu et al., Eur.Conf.Philos.Med.&Health Care (ESPMH) (Zagreb/Croatia, 2010), p. 46-7 Keywords: Integrative chemistry, interdisciplinary research, UNO-Agenda 21

613



Application Of Ethnochemistry And Ethnomedicine Of Ancient Papua New Guineans To Motivate Students In Secondary Schools And Universities In PNG B. Marasinghe 1, P. Jeyarathan2 1 Division of Physical Sciences, School of Science & Technology, University of Goroka, Goroka, PNG 2 Division of Biological Sciences, School of Science & Technology, University of Goroka, Goroka, PNG Presenting author: [email protected] Papua New Guineans have been making significant contributions to Science, particularly in the fields of Chemistry and Medicine for over 50,000 years. Their contributions have gone virtually unnoticed mainly because of lack of written evidence due to absence of a written language. However, during the past 40 years some researchers (Holdsworth 1970, 1975, 1986, Woodley 1991, Timi 1994, Dindi 2008, Rai 2009) have conducted scientific studies on medicinal plants in PNG which probably would have been used by ancient Papua New Guineans to treat deceases. Three years ago, one of the authors was able to introduce a Unit in the Grade 11 and 12 Chemistry Syllabus under the title ‘Traditional Chemical Practices’ which consists of traditional chemical and medicinal activities. Similar units had been introduced at undergraduate level in the University of PNG 7 years ago. Already there is evidence that the learning of what their ancestors had discovered and used has been an inspiration to students, and can stress the importance of learning modern scientific principles and methods to build on what their forefathers had done. Some of the scientific contributions of ancient Papua New Guineans have been summarized in this paper. It also endeavours to show how the studying of them at school and university levels may have influenced students to join chemical and medical streams at universities and encouraging first year undergraduates to take up chemistry in later years. References: 1. 2. 3. 4. 5.

Holdsworth, D.K. ‘Medicinal Plants of Papua New Guinea’ In: Folk Medicine – The Art and the Science. Edited by Richard P. Steiner Pub: American Chemical Society, USA, 1986. Woodley E. ‘Medicinal Plants of PNG. Part 1: Morobe Province. Wau Ecology Institute Handbook No 11, Wau, PNG 1991. Timi D. ‘Medicinal Plant Survey of Papua New Guinea’. In: Science of Pacific Island Peoples. Ed John Morrison, Paul Geraghty and Linda Crowl. Pub: Institute of Pacific Studies, Fiji 1994. Dindi, M., Bugani, T., Ireland, C., Harper, M.K. and Matainaho, T. ’Isolation of Bioactive Compounds from Papua New Guinea Plant Euphorbia Cf. Hirta’ In: Journal of Institute of Chemists, PNG vol 1. No 1 2008. Rai P. ‘Medicinal Plants in Papua New Guinea’. Pub: World Health Organization 2009.

Keywords: ethnochemistry, ethnomedicine,

614



Explosive Detection Mechanisms In Silole- And Silafluorene Containing Photoluminescent Polymers: A Computational Approach Burcu Dedeoğlu1, Alimet Sema Özen2, Viktorya Aviyente.1 1

Chemistry Department, Boğaziçi University, 34342, İstanbul, Türkiye 2 Piri Reis University, İstanbul, Türkiye Presenting author: [email protected]

The progress in detection of the explosive materials is of great importance in the fields of forensic investigation, homeland security, military applications and minefield remediation. Photoluminescent polymers, which can constitute highly efficient transport media for electronic excited states, can produce signal gain in response to interactions with explosives. The amplified signal, in the form of fluorescence quenching, allows the detection of trace explosives that are not sensed by the conventional spectroscopic and imaging techniques [1]. Silole- and silafluorene-containing polymers are are promising candidates for chemical sensing applications. The unique luminescent properties of these molecules arise from overlap between the σ* orbital of the bridging silicon and the π* orbital of the butadiene moiety, which increases delocalization along the polymer chain [2]. They are highly sensitive to explosives containing nitroaromatics, nitramines and nitrate esters. It has been proposed that Lewis acid-base interactions between the lone pairs from the nitro groups of these explosives and the metallole silicon center helps explosive binding in these polymers [3].

Figure 1: Proposed Lewis acid-base interactions between explosives and polymers. The aim of this study is to investigate the binding mechanism of explosives to the silole- and silafluorene-containing oligomers at the molecular level. Binding energies will be determined using density functional theory (DFT) calculations. The findings of this project are expected to contribute to the design of new explosive sensing polymers. This project is supported by TÜBİTAK under the grant number 111T174. References 1. S.W. Thomas, G.D. Joly, T. M. Swager, Chemical Reviews, 107 (2007). 2. H.Sohn, M.J. Sailor, D. Magde, W.C. Trogler, JACS, 125 (2003). 3. J.C. Sanchez, A.G. DiPasquale, A.L. Rheingold, W. C. Trogler, Chem. Mater., 19 (2007). Keywords: Explosive detection, Silole- and silafluorene-containing polymers, TDDFT

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Solvent Effect On The Kinetics, Tacticity And Composition In Free Radical Polymerization Reactions: A Computational Study Viktorya Aviyente*, Tuğba Furuncuoğlu, Özlem Karahan Boğaziçi University, Chemistry Department, 34342, Bebek, Istanbul,Turkey *[email protected] It is known that the nature of the solvent influences the rate of free radical mediated polymerization of vinylic and acrylic monomers. Fast polymerization in water is attributed to hydrogen bonds between monomers and water, the conformation 1-2 of polymer coils, the hydrophobic interactions as well as the local monomer concentration. For example, although EMA and EHMA resemble each other in structure, EHMA propagates faster in bulk due to the presence of intermolecular hydrogen bonds, which tend to facilitate the approach of the propagating species. This falls in contrast with the experimentally observed lower propagation rates of EHMA in ethanol compared to toluene; calculations show that this is 3 caused by the polar protic solvent’s disruptive effect on the intermolecular hydrogen bonds between propagating species. Tacticity strongly influences the physical properties of polymers because it is a measure of stereoregularity of a polymer chain and many of the polymer properties such as tensile strength, melting point, and solubility depend on it. Recently, NIsopropylacrylamide (NIPAM) has attracted great attention because its polymer, Poly(N-Isopropylacrylamide) (PNIPAM) has º 4 a lower critical solution temperature around human body temperature (LCST=32 C). The solvent dependence of freeradical polymerization kinetics of the ST/HEMA system has been investigated through a combination of quantummechanical tools with the incorporation of solvation methods.This presentation will focus on the usage of quantum mechanics and molecular dynamics to understand and clarify the solvent effect on the kinetics, the tacticity and the 5 composition of vinylic and acrylic monomers. [1] Ganachaud, F.; Monteiro, M. J.; Gilbert, R. G. Macromolecular Symposia 150, 275-281, 2000. [2] Beuermann, S.; Buback, M. Progress in Polymer Science 27, 191-254, 2002. [3 Dogan, B., Catak, Ş.,Van Speybroeck V., Waroquier , M., Aviyente, V., Polymer 53, 3211-3219,2012. [4] Furuncuoglu, T.; Degirmenci, I.; Aviyente, V.; Atilgan, C.; De Sterck, B.; Van Speybroeck, V.; Waroquier, M. Polymer 52, 5503-5512, 2011. [5] a) Karahan, Ö., Avcı, D., Aviyente, V., ‘J Polym Sci Part A: Polymer Chemistry, 49, 3058–3068, 2011; c).Karahan, Ö., Aviyente, V., Avci, D., Zijlstra, H., Bickelhaupt, F. M., J Polym Sci Part A: Polymer Chemistry, 51, 880–889, 2013; d) Degirmenci, I., Furuncuoglu Özaltın, T., Karahan, Ö., Van Speybroeck, V., Waroquier, M., Aviyente, V., J Polym Sci Part A: Polymer Chemistry, 51, 2024–2034, 2013. Keywords: kinetics, DFT, solvent effect, tacticity, copolimerization

616



A New Method For Alcohol Content Determination Of Fuel Oils By Terahertz Spectroscopy E. Arık1, Can Koral2, H. Altan3, O. Esentürk1 1 METU Chemistry Department, Ankara, Turkey 2 METU Graduate School of Natural and Applied Sciences, Ankara, Turkey 3

METU Physics Department, Ankara, Turkey [email protected], [email protected]

In this study, we developed a simple method for alcohol content analysis in fuel oils by Terahertz time-domain spectroscopy. Frequency dependent absorption coefficients, refractive indices, and dielectric constants were calculated from the measurements of pure fuel oils and their mixtures with ethanol. As the mixing ratio changes, meaningful shifts were observed in refractive index and absorption coefficient of the mixtures. For pure liquids, we used Debye model that has been shown to have good estimate of the dielectric parameters of pure liquids in microwave region and also in the THz region. Ethanol mixtures of gasoline were modeled successfully with a simple model in which the mixture behavior was described with a basic contribution approach of pure liquids. The results suggest that there is no strong interaction between the ethanol and the molecules in the gasoline. We concluded that this new approach offers a simple and useful method to determine the concentration of ethanol in gasoline with 3% (by volume) maximum error. 2,8

1,49

Percent ethanol in gasoline 50% 30% 20% 10% 5%

Diesel 2,6

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Figure 1. Frequency dependent refractive index of diesel and gasoline (a). The improved Debye relaxation model (solid line) along with the real part of permittivity data (circles) derived from the experimental measurements for the mixtures of ethanol and gasoline (b).

Keywords: Terahertz Spectroscopy, Dielectric Properties, Fuel Oils, Ethanol Detection, Debye Model.

617



Refractive Index Of Dilute Aqueous Solutions Of Quaternary Ammonium Salts. A New Differential Fiber Optical Refractometer 1

M. A. Montero1*, L. H. Blanco1, C.M. Romero1 Departament of Chemistry, National University of Colombia *Email: [email protected]

A new type of refractometer based on the instrument described by Nath et al [1] was designed for the precise determination of refractive index of liquids. The device is equipped with a multimode plastic fiber optic sensor (FOS) as intrinsic type sensor and an automatized temperature controller (±0.05K) and allows the measurement of refractive index in the range from 1.33300 to 1.47000 refractive index units (RIU). The light source and the detectors are fiber coupled LEDs (λmax590 and 680nm) and photodarlingtons respectively, simplifying the design. The apparatus can work in differential regime, achieving very good sensitivity. Calibration of the instrument was made using aqueous solutions of glycerin in the whole range of composition at 293.15K. The obtained values are compared with the refractive index measured in an Abbe type refractometer and literature values finding good agreement in both cases, showing that the performance of the instrument is suitable for measurement very dilute aqueous solutions. The device was used to measure the refractive index of highly dilute aqueous solutions of C10Me3NBr, C12Me3NBr, C14Me3NBr and C16Me3NBr at several temperatures. The results are interpreted in terms of the solute-solvent and the possible solute-solute interactions. References [1] P. Nath, H. Signgh, P. Datta, K. Sarma, Sensors and Actuators A. 148 (2008) 16-18. Keywords: fiber optic sensor (FOS), virtual instrumentation, quaternary ammonium salt, index of refraction, differential refractometry, critical micellar concentration, premicelle, microstructure.

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Prevention Of Fetal Alcohol Syndrome (Fas): New Initiative In Bogotá D.C. Colombia Berta Inés Delgado Fajardo1, Heidi Liliana Martínez2, Jenny Marcela Capera2 1

Centro de Investigación y Desarrollo Científico. Universidad Distrital Francisco José de Caldas. Directora Línea de Investigación Sustancias Psicoactivas y Biomarcadores, 11001000, Bogotá D.C., Colombia 2 Centro de Investigación y Desarrollo Científico. Universidad Distrital Francisco José de Caldas. Estudiantes Investigadores de la Línea de Investigación Sustancias Psicoactivas y Biomarcadores, 11001000, Bogotá D.C., Colombia Presenting author: [email protected] In Bogota 1.9 million people drink alcohol and 700,000 of this group are women [1]. Alcohol consumption in pregnant women increased from 9.4% in 2000 to 11.7% in 2005 [2]. Approximately 24% of all deliveries belong to mothers under 19 years old [3]. Mothers who drink alcohol during pregnancy may result in FAS. It is characterized by facial abnormalities, growth disturbances and alterations in central nervous system. It also causes spontaneous abortions and late fetal death. The fetus in the uterus of the alcoholic mom becomes a consumer of the alcohol present in the maternal circulation passing to the fetal bloodstream through the placenta and umbilical cord. There is no specific diagnosis in order to identify FAS, so different studies are performed to establish reliable indicators. The Mayor of Bogota organized different prevention program 'Bebes sanos y saludables' to reduce alcohol consumption in pregnant women. However there is not prevention programs aimed to mothers, including a reliable diagnosis in order to provide adequate treatment for the case of children born with FAS. For this reason, the researchers of Linea de Sustancias Psicoactivas y Biomarcadores of Universidad Distrital Francisco José de Caldas advance an exploratory study in health institutions of the city, to characterize the care of pregnant women with alcohol addiction problems. It has been found that there are some deficiencies related to prenatal care and diagnosis of FAS, for this reason the health institutions are very interesting about our work. Additionally, this study was designed to determine the fatty acid ethyl esters (FAEEs) as a biomarker of fetal exposure. This biomarker is analyzed in biological samples from pregnant mother’s hair and meconium of newborns upon identification of alcoholic trends of the mother by applying a questionnaire. REFERENCES 1. Alcaldía de Bogotá, ONU, CICAD, OEA, & Colombia. (2010). Estudio de Consumo de Sustancias Psicoactivas en Bogotá D.C. 2009. 2. MEN (2007) Socialización mediante la cualificación de las prácticas pedagógicas. http://www.mineducacion.gov.co/cvn/1665/article-124107.html 3. Observatorio de Asuntos de Género. Comportamiento del Embarazo en Colombia. DANE (2000-2009). Keywords: FASD, FAEEs: Fatty Acid Ethyl Esters, Alcoholism.

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