Schedule of Events

8:00 - 10:00 a.m. - Registration at West entrance of Sciences Complex.

8:00 - 10:00 a.m. - Continental Breakfast at East entrance of Sciences Complex.

8:00 - 10:00 a.m. - Exhibits open and Posters setup , 1st floor Hall Sciences Complex.

9:00 a.m. - Bassam Shakhashiri, Plenary Speaker, Demonstrations in 2nd floor Ballroom of the McMahon Centennial Complex (MCC)

10:00 a.m. - Exhibits open, Poster Session and Judging, Refreshments - Hallway Science Complex Oklahoma Chemist Award Committee in Sciences Complex Room 200

10:40 a.m. - Technical Session: A. Nanosciences - Room 100 Sciences Complex

11:00 a.m. - Technical Sessions: C. Organic 102 Science Complex D. Catalysis/Inorganic/Organometallic Room 103 Science Complex E. Analytical/Environmental Room 104 Science Complex F. Industrial/Miscellaneous Room 101 Science Complex

12:00 p.m. - Luncheon 2nd floor Ballroom McMahon Centennial Complex (MCC)

12:45 p.m. - Awards 2nd floor Ballroom MCC

1:00 p.m. - Oklahoma Chemist Address - Dr. Donna Nelson, 2nd floor Ballroom MCC

1:30 p.m. - Dr. Lance Lobban, Plenary Speaker, 2nd floor Ballroom MCC "The Potential for Biofuels in the Oklahoma Energy Picture"

2:00 p.m. Dr. Lloyd Sumner, Plenary Speaker, Sciences Complex Rm 100, Integrated Large- scale Biochemical Profiling Provides Novel Insight into Plants ACS Fellows Workshop in Science Complex 204

2:30 p.m. Technical Sessions: B. Biochemistry Room 100 Science Complex C. Organic 102 Science Complex D. Catalysis/Inorganic/Organometallic Room 103 Science Complex E. Analytical/Environmental Room 104 Science Complex F. Industrial/Miscellaneous Room 101 Science Complex

3:00 p.m.- Pentasectional Representatives meet in Sciences Complex 200

3:10 p.m.- Break - Refreshments East Hallway Science Complex

3:30 p.m. - Resume Technical Sessions

4:10 p.m. - Please have a safe trip home and Thank you for participating

Plenary Speaker

Professor Bassam Z. Shakhashiri The William T. Evjue Distinguished Chair for the Wisconsin Idea, Department of Chemistry Director, Wisconsin Initiative for Science Literacy University of Wisconsin-Madison 2012 President, American Chemical Society

Bassam Z. Shakhashiri is the first holder of the William T. Evjue Distinguished Chair for the Wisconsin Idea at UW-Madison. He is well known internationally for his effective leadership in promoting excellence in science education at all levels, and for his development and use of demonstrations in the teaching of chemistry in classrooms as well as in less formal settings. The Encyclopedia Britannica sites him as the "dean of lecture demonstrators in America." His scholarly publications, including the multi-volume series, Chemical Demonstrations: A Handbook for Teachers of Chemistry, are models of learning and instruction that have been translated into several languages. He is an advocate for policies to advance knowledge and to use science and technology to serve society. He promotes the exploration and establishment of links between science, the arts and the humanities, and the elevation of discourse on significant societal issues related to science, religion, politics, the economy, and ethics. Professor Shakhashiri is the 2012 President of the American Chemical Society.

A native of Lebanon, Professor Shakhashiri came to the United States in 1957 at the age of 17. He completed undergraduate work at Boston University ('60) with an A. B. degree in chemistry, served as a teaching fellow at Bowdoin College for one year and then earned M.Sc. and Ph.D. degrees in chemistry at the University of Maryland ('64 and '68, respectively).

After a year of post-doctoral research and two years as a junior member of the chemistry faculty at the University of Illinois-Urbana, Professor Shakhashiri joined the faculty of the UW-Madison in 1970, a position he still holds. In 1977 he became the founding chair of the UW System Undergraduate Teaching Improvement Council, now called the Office of Professional and Instructional Development. In 1983 he founded the Institute for Chemical Education (ICE) and served as its first director. His work with ICE inspired the establishment of the Center for Biology Education, the Merck Institute for Science Education, the Miami University (of Ohio) Center for Chemical Education, the Sacred Heart University SMART Center, and others. In 2002 he founded the Wisconsin Initiative for Science Literacy (WISL) and continues to serve as its director.

From 1984 to 1990 Professor Shakhashiri served as Assistant Director of the National Science Foundation (NSF) for Science and Engineering Education. As the NSF chief education officer he presided over the rebuilding of all the NSF efforts in science and engineering education.

Professor Shakhashiri has given over 1300 invited lectures and presentations in North America, Europe, Asia, Australia, the Middle East and South America. Professor Shakhashiri is the recipient of over 35 awards, including Outstanding Lecturer of the Year in General Chemistry, University of Illinois (1969 and 1970), the 1977 Kiekhofer Distinguished Teaching Award from UW-Madison, and the 1979 Manufacturing Chemists Association Catalyst Award. He is the youngest recipient of two of the American Chemical Society's (ACS) most coveted recognitions -- the James Flack Norris Award for Outstanding Achievement in the Teaching of Chemistry (1983) and the ACS George Pimentel Award in Chemical Education (1986); he has been a member of the ACS since 1962. In 1982 he was given the Ron Gibbs Award of the Wisconsin Society of Science Teachers for "outstanding contributions to science education at the local, regional, national, and international levels." In 1987, he was cited for distinguished public service by the District of Columbia Science Education Association, the National Science Teachers Association, the South Carolina Academy of Science, and the Boston University General Alumni Association.

He received the 2002 American Association for the Advancement of Science (AAAS) Award for Public Understanding of Science and Technology, "for his tireless efforts to communicate science to the general public, and especially children." In 2004 he was inducted into the Hall of Fame of the national chemistry fraternity Alpha Chi Sigma. In 2005 he received the Madison Metropolitan School District Distinguished Service Award for a Citizen, the Chemical Pioneer Award from the American Institute of Chemists, the ACS Helen M. Free Award for Public Outreach for "lifelong accomplishments and for explaining and demonstrating science with charisma and passion," and was cited in the Answer Book of Capital Newspapers as the "coolest UW professor." In 2006 he received the Rotary Senior Service Award from the Rotary Club of Madison. In 2007 he received the National Science Board Public Service Award and was cited for "extraordinary contributions to promote science literacy and cultivate the intellectual and emotional links between science and the arts for the public." In 2008 he received the inaugural Emerson Science Advocacy Medal from the University of Nevada-Las Vegas and was cited for "distinguished, sustained, and lasting contributions in the development of the sciences."

Professor Shakhashiri is an elected fellow of the South Carolina Academy of Science, the Alabama Academy of Science, the New York Academy of Science, and the Wisconsin Academy of Sciences, Arts and Letters. He is the recipient of honorary doctoral degrees from George Washington University, Illinois State University, Ripon College, University of Colorado, Grand Valley State University, University of South Carolina and Lebanese American University.

"SCIENCE IS FUN AND THE JOY OF LEARNING"

Chemistry is both the central science and the familiar science. The familiarity of chemistry has yet to be fully exploited in reaching all segments of society, especially the nonspecialists. Chemistry brings a wide range of goods and functions to everyone and thus is vital to our democracy. My presentation will include demonstrations to show how science can be communicated to all segments of our society. Students, faculty, and all members of the community are invited. Come learn about combustion, exploding balloons, liquids that glow in the dark, polymers, and other spectacular scientific phenomena. You will sit at the edge of your seat and will see science in action.

Plenary Speaker Dr. Lance Lobban, Professor Director, Francis W. Winn Chair, School of Chemical, Biological and Materials Engineering at the University of Oklahoma.

His areas of expertise are chemical reaction engineering and catalysis, and he has directed research programs related to biomass conversion to biofuels, catalytic and plasma conversion of natural gas to liquid fuels and chemicals, photocatalytic oxidation, and modeling of solid oxide fuel cells. He holds three patents, has co-authored over 60 archival journal articles or book chapters, and has been principle investigator or co-PI on several million dollars of external grants. He has won numerous awards at the University of Oklahoma including Outstanding Professor in Chemical Engineering, OU Student Association Outstanding Professor in the College of Engineering, the Lloyd G. and Joyce Austin Presidential Professorship, and the Regents‟ Award for Superior Teaching.

"The Potential for Biofuels in the Oklahoma Energy Picture"

School of Chemical, Biological and Materials Engineering Oklahoma has traditionally enjoyed a wealth of energy resources in its oil and gas reserves. Although oil production has declined in the state, Oklahoma is still a significant producer of petroleum, and natural gas production has increased over the last decade after peaking in 1990. Oklahoma is also one of the leading states in wind energy production. The state also has very high potential for production of biofuels, particularly from switchgrass and other lignocellulosic biomass. However, there remain significant scientific and technological barriers to efficient production of biofuels, particularly second generation biofuels, from lignocellulosic biomass. This talk will discuss the potential, the barriers, and the research to overcome those barriers and lead to development of Oklahoma biofuels.

Lloyd W. Sumner, Ph.D. Associate Professor Plant Biology Division The Samuel Roberts Noble Foundation Ardmore, OK Dr. Sumner acquired his B.S. degree in chemistry and mathematics in 1989 from Cameron University in Lawton, OK and a Ph.D. in analytical chemistry in 1993 from Oklahoma State University in Stillwater, OK. He then joined Texas A&M University, College Station TX, where he was the Director of the Mass Spectrometry Applications Laboratory and where he later served as the cofounder and Associate Director of the TAMU Laboratory for Biological Mass Spectrometry with David H Russell. He joined The Noble Foundation in 1999 and is currently an Associate level, principal investigator in the Plant Biology Division. While at the Noble Foundation, Dr. Sumner has built a research program focused around the large-scale profiling of plant proteins and metabolites (proteomics and metabolomics) which provide greater insight into the physical and chemical consequences of gene expression and system responses to genetic and environmental perturbations. Much of this work has focused upon secondary metabolism. In the process, he has published close to 70 peer reviewed articles and book chapters. Currently, Dr. Sumner‟s research is supported by The Samuel Roberts Noble Foundation, The National Science Foundation Plant Genome Research Program, The NSF 2010 program, and The State of Oklahoma. Dr. Sumner is currently a Fellow of The American Association for the Advancement of Science, President of the Metabolomics Society, a Founding Member of the International Advisory Committee for Plant Metabolomics, an Adjunct Associate Professor at Oklahoma State University Department of Biochemistry and Molecular Biology, and a Distinguished Alumni of Cameron University. Dr. Sumner serves on the Editorial Boards of Plant Physiology and the Metabolomics Journal.

INTEGRATED LARGE-SCALE BIOCHEMICAL PROFILING PROVIDES NOVEL INSIGHT INTO PLANTS The past decade has yielded highly sophisticated analytical instrumentation that now makes the large-scale biochemical profiling of mRNA, proteins and metabolites possible. These technologies are routinely referred to as transcriptomics, proteomics and metabolomics. We are using integrated metabolomics and transcriptomics to obtain novel insight into legume natural product biosynthesis. Legumes are fundamental sources of nutrition for most global cultures due to their high protein content achieved through unique symbioses with nitrogen-fixing bacteria. Legumes also produce a wide array of natural products including flavonoids, isoflavonoids, lignin, anthocyanins, and triterpene saponins. These compounds serve critical roles in plant defense, plant-microbe interactions, symbiosis, and human and animal health. This presentation will introduce the model legume Medicago truncatula and provide an overview of our metabolomics technologies. The presentation will also provide specific examples of how we are exploiting integrated metabolomics for the discovery and characterization of triteprene saponin biosynthetic genes.

2012 OKLAHOMA CHEMIST AWARD The recipient of the 2012 Oklahoma Chemist Award is Dr. Donna J. Nelson, Professor of Chemistry University of Oklahoma, Norman, OK 405-325-2288, [email protected]

Born and reared in Eufaula, Dr. Donna Nelson has been a professor of chemistry at the University of Oklahoma for about 25 years. She took her B.S. in Chemistry at the University of Oklahoma, obtained her Ph.D. in chemistry at the University of Texas under the direction of Michael Dewar, did her postdoctorate at Purdue University under the direction of Nobel Laureate, H. C. Brown, and then joined the University of Oklahoma faculty. She was a Faculty Fellow in the OU Provost's Office 1989 - 1990, and she has been a Visiting Professor at MIT, at UC-San Diego, and at UT-Austin. Donna is the recipient of many awards (most recently the 2011 Southwest Regional ACS Stan Israel Award for outstanding contributions to diversity and the 2011 Southwest Regional E. Ann Nalley Award for outstanding volunteerism). She is an AAAS Fellow, an ACS Fellow, a Guggenheim Fellow, and Fulbright Awardee.

Dr. Nelson's current research pertains to nanoscience, communicating science to the public, and scientific workforce development and she frequently speaks on the interrelationship of these topics. In 2010, she chaired the American Chemical Society's national Nanoscience Subdivision, and she is currently Oklahoma's Nanoscience Email Listserve Manager. The American Chemical Society (the world's largest scientific organization) recently appointed her to its national Committee on Chemistry and Public Affairs, which requires that she "provide expert advice to the government on questions concerning the chemical sciences and technologies" and "encourage and facilitate participation by the members of ACS in government relations." Making use of such connections enables an additional opportunity for Oklahoma to be more aware of and to influence national level science policy. A national-level example of her furthering the universal goal of presenting accurate science to TV and movie audiences, is her advising television programs, such as AMC's Breaking Bad.

LISTING OF PAPERS & POSTERS Oral Papers A. Nanosciences (4 papers) Room 100 Sciences Complex

1N. 10: 40 AM TRANSPORT OF NANOPARTILCES OF ZEROVALENT COPPER, ZINC OXIDE, AND TITANIUM DIOXIDE IN SATURATED POROUS MEDIA. Chunming Su, Edward Jones, Gexin Chen and Xuyang Liu, National Risk Management Research Laboratory, United States Environmental Protection Agency, Ada, OK 74820

2N. 11: 00 AM HEAT CAPACITY OF POLY(METHYL METHACRYLATE) (PMMA) ON NANOPARTICLES OF SILICA. Bal K. Khatiwada and Frank D. Blum, Department of Chemistry, Oklahoma State University, Stillwater, OK 74078

3N. 11: 20 AM LITHIUM ION BATTERIES DOPED WITH CARBON NANOTUBES FOR IMPROVED PERFORMANCE. Nhung N. Duong, Wesley D. Tenneyson, James E. Brown III, John T. Pereira and Daniel E. Resasco, School of Chemical, Biological and Materials Engineering, University of Oklahoma, Norman, OK 73019

4N. 11: 40 AM EVALUATING INTERACTIONS BETWEEN SINGLE-WALLED CARBON NAOTUBES AND AMINES BY USING PROTON NMR SPECTROSCOPY. Donna J. Nelson* and Ravi Kumar, Department of Chemistry and Biochemistry, University of Oklahoma, Norman OK 73019

B. Biochemistry (5 papers) Room 100 Science Complex

1B. 2:00 PM INTEGRATED LARGE-SCALE BIOCHEMICAL PROFILING PROVIDES NOVEL INSIGHT INTO PLANTS. Vered Tzin, Dong Sik Yang, John H Snyder, David V. Huhman, Stacy Allen, Yuhong Tang, and Lloyd W. Sumner, Plant Biology Division, The Samuel Roberts Noble Foundation, Ardmore, OK 73401

2B. 2:30 PM ISOLATION OF NADASE FROM AGKISTRODON PISCIVORUS LEUCOSTOMA AND AGKISTRODON PISCIVORUS PISCIVORUS VENOM. Matthew G. Moudy and Rodney Cate, Chemistry Department, Midwestern State University, Wichita Falls, Texas 76308

3B. 2:50 PM ISOLATION OF NADASE FROM AGKISTRONDON PISCIVORUS LEUCOSTOMA VEMON Rodney Cate, Jeremy Lynn Motley*, and Matthew Moudy, Midwestern State University, Wichita Falls, TX

3:10 PM Break

4B. 3:10 PM DEVELOPMENT AND SCREENING OF TRANSITION METAL COMPLEXES AS CXCR4 ANTAGONISTS. T. J. Hubin, S. J. Archibald, and D. Schols, Department of Chemistry, Southwestern Oklahoma State University, 100 Campus Drive, Weatherford, OK 73096

5B. 3:30 PM STERIC LIMITATIONS IN THE B. ANTHRACIS DIHYDROFLOATE REDUCTASE ACTIVE SITE. Christina R. Bourne1, Nancy Wakeham1, Baskar Nammalwar2, Kal Ramnarayan3, Phil C. Bourne1, Esther W. Barrow1, Richard A. Bunce2, K. Darrell Berlin2, and William W. Barrow1, 1OSU Dept of Veterinary Pathobiology, 250 McElroy Hall, Stillwater OK 74078, 2OSU Dept of Chemistry, 107 Physical Sciences, Stillwater OK 74078, 3Sapient Discovery, 10929 Technology Place, Suite B, San Diego CA 92127

C. Organic (7 papers) 102 Science Complex

1O. 11:00 AM DESIGN AND SYNTHESIS OF SUBSTITUTED 6-ALKYL-2,4- DIAMINOPYRIMIDINES AS POTENTIAL DRUG SCAFFOLDS TO INHIBIT BACILLUS ANTHRACIS. B. Nammalwar,* R. A. Bunce,* K. D. Berlin,* C. R. Bourne,** P. C. Bourne,** E. W. Barrow,** W. W. Barrow** and Kal Ramnarayan,ª , *Department of Chemistry and **Department of Veterinary Pathobiology, Oklahoma State University, Stillwater, OK and ªSapient Discovery, San Diego, CA

2O. 11:20 AM A NEW APPROACH TO BENZO-FUSED FIVE-RING HETEROCYCLES. Chelsea Fortenberry, Baskar Nammalwar and Richard A. Bunce, Department of Chemistry, Oklahoma State University, Stillwater, OK 74078-3071

3O. 11:40 AM TETRAHYDROISOQUINOLINES AND TETRAHYDROQUINOLINES BY FRIEDEL-CRAFTS CYCLIZATIONS PROMOTED BY IRON(III) CHLORIDE HEXAHYDRATE. Nicholas R. Cain and Richard A. Bunce, Department of Chemistry, Oklahoma State University, Stillwater, OK 74078-3071

12:00 PM Break for luncheon activities

4O. 2:30 PM 1-ALKYL- AND (±)-1,2-DIALKYL-2,3-DIHYDRO-1,8-NAPHTHYRIDIN- 4(1H)-ONES BY A TANDEM MICHAEL-SNAr ANNULATION REACTION. Richard A. Bunce and Scott T. Squires, Department of Chemistry, Oklahoma State University, Stillwater, OK 74078-3071

5O. 2:50 PM SYNTHESIS OF ELECTRON DONOR/ACCEPTOR SUBPHTHALOCYANINE DIMERS. Lakshmi Chockalingam Kasi Viswanath, Oklahoma State University, Stillwater, OK.

3:10 PM Break

6O. 3:30 PM SYNTHESIS, ELECTROCHEMICAL AND SPECTROSCOPIC CHARACTERIZATION OF TETRAPHENYLAZADIPYRROMETHENE. Matlock R. Baggett, Christopher A. Hansen, and Jianguo Shao, Midwestern State University, Wichita Falls, TX 76308

7O. 3:50 PM DERIVATIZED CYCLODEXTRINS: KEY INGREDIENTS IN NOVEL MATERIALS. Gaumani Gyanwali, Mathis Hodge, and Jeffery White, Department of Chemistry, Oklahoma State University, Stillwater, OK

D. Catalysis/Inorganic/Organometallic (8 papers) Room 103 Science Complex

1C. 11:00 AM INFLUENCE OF RUTHENIUM TITANIA CATALYST PRETREATMENT CONDITIONS ON THE UPGRADING OF BIOMASS PYROLYSIS OIL VAPORS. Taiwo Omotoso, Richard Mallinson, Daniel Resasco, and Steven Crossley, School of Chemical, Biological and Materials Engineering, University of Oklahoma, Norman, OK 73019

2C. 11:20 AM THEORETICAL PREDICTIONS OF UV-VIS SPECTRA FOR MO (VI) OXIDES CLUSTERS. Ahmad Soufiani, Allen W. Apblett, and Nicholas F. Materer, Department of Chemistry, Oklahoma State University, Stillwater, OK 74075

3C. 11:40 AM ADSORPTION OF PHOSPHATE VIA AN IRON COORDINATION POLYMER. David B. Corter and Allen W. Apblett, Department of Chemistry, Oklahoma State University, Stillwater, OK 74075

12:00 PM Break for luncheon activities

4C. 2:30 PM UNVEILING THE CRYSTAL STRUCTURES OF HEME LOSS INTERMEDIATES DURING THE NITRITE-INDUCED DEGRADATION OF HUMAN HEMOGLOBIN. J. Yi, L. M. Thomas, and G. B. Richter-Addo, Department of Chemistry and Biochemistry, Oklahoma University, Norman, OK 73019

5C. 2:50 PM EFFECT OF BIO-OIL CONSTITUENTS ON MgO-CATALYZED ALDOL CONDENSATIONS. Friederike C. Jentoft, Zhimin Liu, and Nicholas R. Luedtke, School of Chemical, Biological & Materials Engineering, University of Oklahoma, Norman, OK 73019- 1004

3:10 PM Break

6C. 3:30 PM ALKYLATION OF PHENOLICS WITH SMALL OXYGENATES IN BIO-OIL UPGRADING. Lei Nie and Daniel E. Resasco*, School of Chemical, Biological and Materials Engineering, The University of Oklahoma and Center for Biomass Refining, Norman, OK 73019

7C. 3:20 PM SULFITE-DRIVEN, VANADIUM (V)-CATALYZED DEOXYDEHYD- RATION OF GLYCOLS. Garry Chapman Jr. and Kenneth Nicholas, Stephenson Life Science Research, University of Oklahoma, Norman, OK 73019

8C. 3:40 PM TRIGLYCERIDE DEOXYGENATION WITH Pt/SIO2 CATALYSTS. Andrew D. D'Amico, Lance L. Lobban, Rolf E. Jentoft, Daniel E. Resasco, and Kyle W. Elam, University of Oklahoma, School of Chemistry, Biology and Material Engineering, Norman, OK 73019

E. Analytical/Environmental (7 papers) Room 104 Science Complex

1A. 11:00 AM HEAVY METAL ANALYSIS IN MUSSEL SHELLS BY LA-ICP-MS. Wesley Williams Department of Chemistry, University of Tulsa, Tulsa, OK

2A. 11:20 AM DETECTION AND QUANTITATION OF TRICLOSAN IN OKLAHOMA SURFACE WATERS USING SOLID PHASE MICROEXTRACTION (SPME) AND GAS CHROMATOGRAPHY MASS SPECTROSCOPY (GCMS). Kacy Rosales, Daniel Poulain, Dayton Marti, Ashkaan Bahreini, Jon Johnston, Steve Everman, Robert Brennan and John Bowen*, Department of Chemistry, University of Central Oklahoma, Edmond, OK 73034

3A. 11:40 AM VISUALIZING NEUTRAL CARBOHYDRATES IN CE-MS. (Joel) Tim Smith, Dept of Chemistry, Computer, and Physical Science, Southeastern Oklahoma State University, Durant, OK 74701

12:00 PM Break for luncheon activities

4A. 2:00 PM THE USE OF STEROL DISTRIBUTIONS AND COMPOUND SPECIFIC ISOTOPE ANALYSIS TO IDENTIFY THE SOURCE OF FECAL CONTAMINATION. Coralie Biache and Paul Philp, School of Geology and Geophysics, University of Oklahoma, Norman, OK 73019

5A. 2:20 PM RAPID QUANTIFICATION OF SODIUM DITHOINITE AND ITS DECOMPOSITION PRODUCTS BY ION CHROMATOGRAPHY. Travis H. James, Allen W. Apblett, and Nicholas F. Materer, Department of Chemistry, Oklahoma State University, Stillwater, OK 74075

3:10 PM Break

6A. 2:40 PM ANALYSIS OF VANILLA AND VANILLIN EXTRACT USING REVERSED PHASE LIQUID CHROMATOGRAPHY WITH WATER RICH MOBILE PHASES. Undugodage Don Nuwan T. Perera, Desire T. Corona, and Barry K. Lavine, Department of Chemistry, Oklahoma State University, Stillwater, OK 74078

7A. 3:20 PM USE OF A SPREADSHEET TO HELP STUDENTS UNDERSTAND THE ORIGIN OF THE EMPIRICAL EQUATION THAT ALLOWS ESTIMATION OF EXTINCTION COEFFICIENTS OF PROTEINS, Department of Chemistry and Biochemistry, University of Oklahoma, Norman, OK 73019-5251

F. Industrial/Miscellaneous (6 papers) Room 101 Science Complex

1I. 11:00 AM THE IMPACT OF CLAY ON THE FIRE RETARDANCY PROPERTY OF POST CONSUMER CARPET COMPOSITES. S. Das,1,2 K. P. Bastola,2 R. Vaidyanathan,2 and R. P. Singh1, 1Mechanics of Advanced Materials Laboratory School of Mechanical and Aerospace Engineering, Oklahoma State University, 526 N Elgin Avenue, Tulsa, OK 74106, 2

Next Generation Material Laboratory, Oklahoma State University, 526 N Elgin Avenue, Tulsa, OK 74106

2I. 11:20 AM INVESTIGATION OF THE SOLUBILITY AND INTERFACIAL BEHAVIOR OF VARIOUS ASPHALTENES UNDER SEVERE REFINERY AND TRANSPORT CONDITIONS, Guangzhe Yu1, Andrew B. Woodside2, and Brian P. Grady1, 1Institute for Applied Surfactant Research and School of Chemical, Biological & Materials Engineering, University of Oklahoma, Norman, OK 73019, 2ConocoPhillips, Bartlesville, OK, 74004

3I. 11:20 PM AN ORGANIC GEOCHEMICAL INVESTIGATION OF THE SIRT SHALE, CENTRAL OF SIRT BASIN, LIBYA. Alsharef Albaghdady and Paul Philp , ConocoPhillips School of Geology and Geophysics, University of Oklahoma, Norman, OK.

12:00 PM Break for luncheon activities

4I. 2:30 PM ORGANIC GEOCHEMISTRY OF THE WOODFORD SHALE, SOUTHEASTERN OKLAHOMA. Andrea Miceli Romero and R. Paul Philp, Oklahoma University, Norman, OK 73019

5I. 2:50 PM TRANSISTOR PAINT: HIGH REPRODUCIBLE CHARGE MOBILITIES IN NARROW BANDGAP POLYMER SEMICONDUCTOR. Toby L. Nelson, Tomasz M. Young, Junying Liu, Sarada P. Mishra, Tomasz Kowalewski, and Richard D. McCullough*, Carnegie Mellon University, Department of Chemistry, 4400 Fifth Avenue, Pittsburgh, PA 15213

3:10 PM Break

6I. 3:30 PM A SYSTEMATIC APPROACH TO THE DETERMINATION OF THE AIR ENTRAINING ABILITY IN CONCRETE OF ORGANOSULFATE SURFACTANTS WITH VARYING CHAIN LENGTHS. Cody Cannon and Allen W. Apblett, Department of Chemistry, Oklahoma State University, Stillwater, OK 74078

Poster Presentations Science Complex The presenter(s) expected to be with posters 10:00 – 11:00 AM

NANOTECHNOLGY

1P. CHARACTERIZATION OF THE THERMAL AND MECHANICAL PROPERTIES OF DGEBA EPOXY/SWNT NANOCOMPOSITES. Sathish Kumar Lageshetty and Kevin D Ausman, Department of Chemistry, Oklahoma State University, Stillwater, OK 74078

2P. CONSTRUCTION AND STUDY OF THE PROPERTIES OF DYE-SENSITIZED SOLAR CELLS FROM TITANIUM DIOXIDE NANOPARTICLES. Seth Geiger, Godsfavour Umoru,

Kristen Worthen, Levi Pettijohn, Miwa Fukuda, and E. Ann Nalley, Department of Physical Sciences, Cameron University, Lawton, OK 73505

3P. USING NANOPARTICLES PREPARED FROM ORGANIC DYES TO PREPARE FAUX STAINED GLASS WINDOWS. Kristen Worthen, Chase Swinford and E. Ann Nalley, Department of Physical Sciences, Cameron University, Lawton, OK 73505

4P. INCORPORATION OF PHENYLAMINE FUNCTIONALIZED SINGLE-WALL CARBON NANOTUBES INTO POLYIMIDES. David Martyn and Issac Schneberger, Southwestern Oklahoma State University, Weatherford, OK 73096

5P. PHOTOCATALYTIC ACTIVITY OF NOVEL NANOMATERTIAL: STUDY OF DETOXIFICATION OF ORGANIC COMPOUNDS. D. K. Paul1 and Kenneth J. Klabunde2, 1Department of Chemistry, Pittsburg State University, Pittsburg, KS 66762, 2Department of Chemistry, Kansas State University, Manhattan, KS 66506 6P. INTERACTION OF SMALL ORGANONITROGEN COMPOUNDS WITH SINGLE- WALLED CARBON NANOTUBES: A PROTON NMR STUDY. Donna J. Nelson,* Ravi Kumar, and Susan L. Nimmo, Department of Chemistry and Biochemistry, University of Oklahoma, Norman OK 73019

7P. CHARACTERIZATION OF A TAMOXIFEN TETHERED SINGLE-WALLED CARBON NANOTUBE CONJUGATE USING NMR. Donna J. Nelson and Ravi Kumar, Department of Chemistry and Biochemistry, University of Oklahoma, Norman OK 73019

BIOCHEMISTRY

8P. SYNTHESIS AND EVALUATION OF TRANSITION METAL COMPLEX DUAL CXCR4/CCR5 ANTAGONISTS. T. J. Hubin, S. J. Archibald, O. C. Birdsong, D. Won and D. Schols, Department of Chemistry, Southwestern Oklahoma State University, 100 Campus Drive, Weatherford, OK, USA 73096

9P. EFFECT OF PHYSICAL EXERCISE ON THE LEVELS OF SALIVARY STRESS MARKERS. Cassandra Clay and Katarzyna M. Roberts, Rogers State University, Claremore, OK.

10P. NMR STUDY ON PHOSPHOLIPID MEMBRANE-ANCHORED SYNTAXIN. Lian Duan, Penghui Lin, Liying Wang, and Donghua Zhou, Department of Physics, Oklahoma State University, Stillwater, OK 74075

11P. RESTRICTED N-TERMINAL MOVEMENT BY DISULFIDE LINKAGE ACCERELATES THE RECOVERY RATE OF PYP. Masato Kumauchi, Eefei Chen, and Wouter D. Hoff, Department of Microbiology & Molecular Genetics, Oklahoma State University, Stillwater, OK , 74078-3020

12P. MEASURING THE REGULATORY EFFECTS OF ESTROGEN ON TNF-Α RECEPTORS I AND II IN RESPONSE TO AN EXPERIMENTALLY INDUCED URINARY

TRACT INFECTION. Rebekah A Dunbar and Rashmi Kaul, Department of Biochemistry and Microbiology, Oklahoma State University Center for Health Science, Tulsa, OK 74107 and Department of Biology and Chemistry, Oral Roberts University, Tulsa, OK 74171

13P. THE EFFECTS OF SHETA2 AND THE E4 ANALOG ON NORMAL AND OVARIAN CARCINOMA CELLS. Caitlin Kriewall1, Dana R. Rundle*1, Darrel K. Berlin2, and Doris M. Benbrook3, 1University of Central Oklahoma, 2Oklahoma State University, and 3University of Oklahoma Health Sciences Center *Contact address: University of Central Oklahoma, 100 N. University Drive, Edmond, OK 73034

14P. REGULATION OF NEUTROPHIL APOPTOSIS BY LYMPHOCYTES IN SYSTEMIC LUPUS ERYTHEMATOSUS (SLE)*. Gregory Cook1, L. Walters2, and K. O’Neil2, 1Physical Sciences Department, Cameron University, Lawton, OK 73505, 2Department of Pediatrics, Oklahoma University Health Science Center, Oklahoma City, OK 73117

ENVIRONMENTAL

15P. GEOCHEMICAL INVESTIGATION OF TANEZZUFT FORMATION, MURZUQ BASIN, LIBYA. T.A. Hodairi and R.P. Philp, School of Geology and Geophysics, University of Oklahoma, Norman, OK 73019

16P. STUDY OF THE DISTRIBUTION AND QUANTITY OF IODIDE IN THE BRINE WATERS OF NORTHWESTERN OKLAHOMA. Jason R. Wickham1, Eric Pribil1, Katherine Drouhard1, and Darrell Mason2 , 1Department of Natural Science, Northwestern Oklahoma State University, 709 Oklahoma BLVD, Alva, OK 73717. 2 Arysta LifeScience Technologies, 19940 CR 480, Alva, OK 73717

17P. LEACHING OF PURE AND Cd-, Pb-SUBSTITUTED GOETHITE UNDER CO2 ENVIRONMENT. Sunkyung Choi1* and Richard T. Wilkin2, 1National Research Council Resident Research Associate at the USEPA, National Risk Management Research Laboratory, 919 Kerr Research Dr. Ada, OK 74820 [email protected], 2USEPA, National Risk Management Research Laboratory, 919 Kerr Research Dr. Ada, OK 74820 [email protected]

18P. AROMATIC AND DICARBOXYLIC ACIDS AS NAPHTHENIC ACID COMPONENTS IN COLUMBIAN AND CANADIAN OIL PROCESS WATERS. Aaron M. Westbrook and Mark A. Nanny, Department of Civil Engineering and Environmental Sciences, University of Oklahoma, Norman, OK 73019

ORGANIC

19P. FOLLOWING THE PHOTODEGRADATION OF TRICLOSAN TO A DIOXIN USING UV AND VISIBLE LIGHT. Kyle Hatcher and John Bowen*, Department of Chemistry, University of Central Oklahoma, Edmond, OK 73034

20P. SYNTHESIS OF A DIPYRIDINIUM ION. Jared Dopp, Midwestern State University, Wichita Falls, TX 76308

21P. X-RAY CRYSTAL STRUCTURES OF 5,5-DIETHYL- AND 5,5-DIMETHYL-2- PHENOXY-1,3,2-DIOXAPHOSPHORINAN-2-ONE REVISITED. C. D. Bryan,1 R. Fehring,1 E. Ferroni,2 E. Garcia,2 B. Jones,1 C. Leslie,1 and S. Shrestha1 , 1Department of Physical Science, Cameron University, Lawton, Oklahoma 73505, 2Department of Chemistry and Department of Biochemistry &Molecular Biology, Benedictine University, Lisle, IL, 60532

PHYSICAL

22P. EFFECTS OF NEUTRALIZATION LEVEL ON THE FRACTIONAL CRYSTALLINITY OF ETHYLENE/METHACRYLIC ACID IONOMERS. Yuan Rui and Brian Grady, School of Chemical, Biological & Materials Engineering, University of Oklahoma, Norman, OK 73019

23P. MEASUREMENT OF THE WATER-SOLUBILITY OF SELECT ASPHALTENES AT ELEVATED TEMPERATURES AND PRESSURES. Kyle Karinshak1, Guangzhe Yu2, Andrew B. Woodside2, and Brian Grady1 ,1Institute for Applied Surfactant Research and School of Chemical, Biological & Materials Engineering, University of Oklahoma, Norman, OK 73109, 2ConocoPhillips Company, Bartlesville Technology Center, Bartlesville, OK 74004

24P. IMPROVE SWEEP EFFICIENCY USING WINSOR TYPE I MICROEMULSION SYSTEM IN CHEMICAL FLOODING. Napat Kiatsakdawong, Tzu-Ping Hsu, Ben Shiau, and Jeffrey H. Harwell, Mewbourne School of Petroleum and Geological Engineering, University of Oklahoma, Norman, OK 73019-1003.

25P. IMPARTING FLAME RETARDENCY PROPERTY TO KNIT COTTON FABRIC USING ADMICELLAR POLYMERIZATION. Saroj Kumar, Srinivas Hanumansetty and Edgar A. O‘Rear, School of Chemical, Biological and Materials Engineering and Institute of Applied Surfactant Research, University of Oklahoma, Norman, OK 73019

26P. TWO-SITE ADSOLUBILIZATION MODEL OF INCORPORATION OF FLUORMONOMERS INTO FLUOROSURFACTANTS FORMED ON COTTON FABRIC. Srinivas Hanumansetty and Edgar A. O‘Rear, School of Chemical, Biological and Materials Engineering and Institute of Applied Surfactant Research, University of Oklahoma, Norman, OK 73019

27P. FABRICATION OF MICROSPHERES FOR THE SUSTAINED RELEASE OF PLASMINOGEN ACTIVATOR IN THROMBOLYTIC THERAPY. Hoai X Nguyen and Edgar A O’Rear, School of Chemical, Biological and Materials Engineering, University of Oklahoma Bioengineering Center, Norman, OK 73019

28P. OBSERVING THE EFFECTS OF TEMPERATURE AND SURFACE ROUGHNESS ON CETYLTRIMETHYLAMMONIUM BROMIDE (CTAB) ADSORPTION USING QUARTZ- CRYSTAL MICROBALANCE WITH DISSIPATION. Xiangmei Wang, Brian Grady and Joshua Hamon, Sarkeys Energy Center, University of Oklahoma, Norman, OK, 73019

29P. DEVELOPMENT AND TESTING OF A SOLID PHASE MICROEXTRACTION (SPME) FIBER USING CARBON BLACK AS THE STATIONARY PHASE. Austin Warner and John Bowen*, Department of Chemistry, University of Central Oklahoma, Edmond, OK 73034

30P. SURFACTANT FORMULATIONS FOR CARBONATE FORMATIONS AND IMPACT WITH ADDITIVES. Jian Zhao, University of Oklahoma, Norman, OK

31P. SOLUTION FTIR AND AB INITIO CALCULATION STUDY OF THE MONOMER AND DIMERIZED SPECTRA OF ETHYL 6-METHYL-2-OXO-4-PHENYL-1,2,3,4- TETRAHYDROPYRIMIDINE-5-CARBOXYLATE AND THE MODEL COMPOUND DIMETHYL UREA. Kristie Nguyen and William B. Collier*, Department of Biology and Chemistry, Oral Roberts University, Tulsa, OK 74171

32P. PULAY SQM SCALE FACTORS FOR VIBRATIONAL FREQUENCY PREDICTION AT THE 6-311G/B3-LYP THEORY LEVEL. Caitlin R. Legler, Nassus R. Brown, Rebekah A. Dunbar, Michael D. Harness, Kristie Nguyen, Opeoluwa Oyewole, and William B. Collier*, Department of Biology and Chemistry, Oral Roberts University, Tulsa, OK 74171

33P. METALLOCENE-CATALYZED ETHYLENE POLYMERIZATION. SUBSTITUENT AND SOLVENT EFFECTS. Emvia Calixte and P. K. Das, Physical Sciences Department, Cameron University, Lawton, OK 73505

34P. A STEADY-STATE STUDY OF PHENOLS AS QUENCHERS OF CYANOAROAMTICS SINGLET EXCITED STATES. P. K. Das, Physical Sciences Department, Cameron University, Lawton, OK 73505.

ANALYTICAL

35P. OPTIMIZATION OF A SPME-GCMS TRICLOSAN ANALYSIS FOR ADSORPTION TIME. William Freniere and John Bowen*, Department of Chemistry, University of Central Oklahoma, Edmond, OK 73034

36P. COUPLING SDS-CGE WITH MALDI-TOP VIA MEMBRANE COLLECTOR. Joann J. Lu, Zaifang Zhu, Wei, Wang, and Shaorong Liu, Chemistry and Biochemistry Department, University of Oklahoma, Norman, OK

37P. ISOLATION OF BIOMARKERS IN CRUDE OILS BY GEL PERMEATION CHROMATOGRAPHY FOR COMPOUND-SPECIFIC CARBON ISOTOPIC ANALYSES. Cristiane R. Oliveira, Brandi N. Vanalphen and Richard P. Philp, School of Geology and Geophysics, University of Oklahoma, Norman, OK 73019

38P. DEVELOPING A HIGH-PRESSURE OPEN-CAPILLARY ELECTROOSMOTIC PUMP FOR HPLC. Chiyang He, Zaifang Zhu, Gu Congying, Joan J. Lu, Zhijian Jia, and Shaorong, Liu University of Oklahoma, Norman, OK, 73019

39P. EFFECT OF SILICA ON THE STRUCTURE OF CETYLTYIMETHYLAMMONIUM BROMIDE. Tan Zhang, Gu Xu, and Frank D. Blum, Department of Chemistry, Oklahoma State University, Stillwater, OK 74078

40P. THERMAL ANALYSIS OF ADSORBED POLY(VINYL ACETATE) ON SILICA. Shadi Alizadeh and Frank D. Blum, Department of Chemistry, Oklahoma State University, Stillwater, OK 74078

41P. THERMAL PROPERTIES OF ADSORBED POLY(ETHYLENE-STAT-VINYL ACETATE) ON SILICA. Madhubhashini M. Madduma Arachchilage and Frank D. Blum, Department of Chemistry, Oklahoma State University, Stillwater, OK 74078

42P. RAMAN-SPECTROSCOPY STUDY OF ARSENIC SPECIATION IN AQUEOUS SOLUTION Sunkyung Choi1* and Richard T. Wilkin2 , 1National Research Council Resident Research Associate at the USEPA, National Risk Management Research Laboratory, 919 Kerr Research Dr., Ada, OK 74820 [email protected]. 2USEPA, National Risk Management Research Laboratory, 919 Kerr Research Dr., Ada, OK 74820 [email protected]

43P. MEASURING THE EFFECT OF SURFACE CONTAMINATION IN CORRELATION TO TIME OF WETNESS (TOW) FOR CORROSION OF ALUMINUM USING FLUORESCENT PROBES. Jean-Marie Charles1,2, Dwaine Braasch2, Eric Williams2 and James W. Rawlins2, 1Physical Sciences Department, Cameron University, Lawton, OK 73505; 2 School of Polymers and High Performance Materials, The University of Southern Mississippi, Hattiesburg, MS

CATALYSIS/INORGANIC/ORGANOMETALLIC

44P. INVESTIGATION OF of Ga-In-DOPED SEMICONDUCTOR PHOTOCATALYST USING FT-IR SPECTROSCOPY. Joshua Krystalyn, Jeremy VanAuker, Sateeshprashad Bandaru, Jagadeesh Kolattoor, D.K. Paul, and Kenneth Klabunde*, Department of Chemistry, Pittsburg State University, Pittsburg, Kansas 66762, *Kansas State University, Manhattan, KS 66506

45P. SYNTHESIS, CHARACTERIZATION, ELECTROCHEMISTRY, AND SPECTRO- ELECTROCHEMISTRY OF RUTHENIUM PORPHYRIN NITROSYL ALKOXIDE COMPLEXES. Adam J. Warhausen, Douglas R. Powell, and George B. Richter-Addo, Department of Chemistry, University of Oklahoma, Norman, OK 73019

46P. SYNTHESIS, CHARACTERIZATION, AND INFRARED SPECTROELECTRO- CHEMISTRY OF ORGANOMETALLIC NITROSYL PORPHYRINS. Nan Xu, Douglas R. Powell, and George B. Richter-Addo, Department of Chemistry and Biochemistry, University of Oklahoma, Norman, OK 73019

47P. STABLE RUTHENIUM ANALOGUES OF NITROSYL HEME TYROSINATES; PREPARATION AND REDOX BEHAVIOR. Dennis Awasabisah, Nan Xu, Krishna P.

Gautham, Douglas P. Powell, Michael J. Shaw, and George B. Richter-Addo, Department of Chemistry and Biochemistry, University of Oklahoma, Norman, OK 73019

48P. HYDROGENATION OF GLYCOLS TO ALKENES CATALYZED BY PERRHENATE ON CARBON. Friederike C. Jentoft, Alana L. Denning, and Kenneth M. Nicholas, School of Chemical, Biological & Materials Engineering, University of Oklahoma, Norman, OK 73019- 1004

49P. CATALYTIC CONVERSIONS OF BIOMASS-DERIVED POLYOLS TO VALUE ADDED CHEMICALS AND FUELS. Fazlur A. K. Rahman, Nathan Edmondson and Kenneth Nicholas, Chemistry Department, Oklahoma School of Science and Mathematics, Oklahoma City, OK 73104

50P. LOW-TEMPERATURE APPROACH FOR THE SYNTHESIS OF LEAD VANADATE. Ahmed M. Moneeb and Allen W. Apblett, Department of Chemistry, Oklahoma State University, Stillwater, OK 74075

51P. REACTIONS OF OCTAHALODIRHENATE ANION WITH 1,4,8,11- TETRAAZACYCLOTETRADECANE. Zachary T. Daniel and David Esjornson, Department of Chemistry and Physics, Southwestern Oklahoma State University, Weatherford, OK 73096

52P. PHOSPHATE REMEDIATION USING IRON OXYHYDROXIDE IN AQUEOUS SYSTEMS. Travis Reed and Allen W. Apblett, Department of Chemistry, Oklahoma State University, Stillwater, OK 74075

53P. ORGANOALUMINUM CRYSTAL STRUCTURES. Tomasz Klis, Lukasz Wojtas, Rudolf J. Wehmschulte, and Douglas R. Powell, Department of Chemistry, University of Oklahoma, Norman, OK 73019-5251

EDUCATION

54P. NANOEXPLORERS: A HIGH SCHOOL SUMMER SCIENCE ACADEMY REPORT ON CHEMISTRY ACTIVITIES. Rayjon Brown, Adam Coffey, Preston Farmer, Dalton Hallum, Ryan Orland, Joshua Rancourt, Chioma Ikedionwu, Stephanie Diamond, Amanda Hulen, Katie Le, Madi Mayer, Kaitlyn Stevens, E. Ann Nalley and Ramiro Moro, Cameron University, Lawton, OK 73505

55P. NANOEXPLORERS: A HIGH SCHOOL SUMMER SCIENCE ACADEMY REPORT ON PHYSICS ACTIVITIES. Stephen Thung, Philip Worthen, Hayden Poff, Braden Miller, Nicholas Sampson, Christian Bodick, Alice Yang, Lucy Tan, Leslie Laughlin, Tasfia Azim, Katherine Kuhlmann, Abigail Magee, E. Ann Nalley and Ramiro Moro, Cameron University, Lawton, OK 73505

56P. INSPIRING CHEMICAL EDUCATION FROM A CCPA PERSPECTIVE. Donna J. Nelson and E. Ann Nalley, Department of Chemistry and Biochemistry, University of

Oklahoma, Norman, OK and Department of Physical Sciences, Cameron University, Lawton, OK.

57P. PREVENTING ACADEMIC MISCONDUCT IN ONLINE HOMEWORK. Donna J. Nelson, Bryan K. Chen, Antoinette M. Davis, Kellie A. Hickey, and Thinh X. Nguyen, Department of Chemistry and Biochemistry, University of Oklahoma, Norman, OK 73019

58P. PENTASECTIONAL ACTIVITIES: FIVE ACS SECTIONS OF OKLAHOMA, Donna J. Nelson, Tufica G. Bell, Linfan Jin, and Monica M. Lynott, Department of Chemistry and Biochemistry, University of Oklahoma, Norman, OK, 73019

59P. COMPARING CONCEPTS ACROSS CURRENT INTRODUCTORY ORGANIC CHEMISTRY TEXTBOOKS: CYCLOHEXANE CONFORMERS, CARBONYL REACTIONS, AND SUBSTITUTION AND ELIMINATION, Donna J. Nelson and Linfan Jin, Department of Chemistry and Biochemistry, University of Oklahoma, Norman, OK, 73019

60P. NATIONAL ANALYSIS OF DIVERSITY IN SCIENCE AND ENGINEERING FACULTIES AT RESEARCH UNIVERSITIES. Donna J. Nelson, Antoinette Davis, Kellie Hickey, and Linfan Jin, Department of Chemistry and Biochemistry, University of Oklahoma, Norman, OK, 73019

61P. ENGAGING ELEMENTARY SCHOOL STUDENTS IN SCIENCE THROUGH SERVICE LEARNING. Lois A Ablin and Gary L Ritzhaupt, Department of Biology and Chemistry, Oral Roberts University, Tulsa, OK 74171

62P. ACS SCIENCE COACHES: COACHING CHEMISTRY AT NORMAN HIGH SCHOOL. *Donna J. Nelson, Arike P. Okewole, Michael Michalopulos, Erica Barnes, and Lucas J. Agee, Department of Chemistry and Biochemistry and University of Oklahoma, Norman, OK

ABSTRACTS Oral Papers A. Nanosciences (4 papers) Moderator Dr. Donna Nelson Room 100 Science Complex Assisted by Sylvia Cleary

Column tests show nanoparticles (NPs) of Cu(0) and ZnO were immobile at neutral pH in saturated sand. They became mobile in the presence of trizma, humic/fulvic, and citric/oxalic/formic acids. Copper NPs were mobile at pH 9. The deposition rates of TiO2 NP aggregates in both KCl and CaCl2 solutions increased with increasing ionic strength, a trend consistent with traditional Derjaguin-Landau-Verwey-Overbeek (DLVO) theory. However, the obtained NP retention profiles were found to deviate severely from the theory. It is suggested

18 that TiO2 NP transport and retention are determined by the combined influence of NP aggregate reconformation affected by solution chemistry, travel distance, and DLVO interactions. Crystallinity and morphology are not influential factors in determining the stability of TiO2 nanoparticle suspensions; Instead, impurities (i.e., silicon and phosphorus) in the pristine materials, determined the surface charge and therefore the sedimentation and aggregation of TiO2 NPs in the aqueous phase.

The heat capacities of small amounts of poly(methyl methacrylate) (PMMA) adsorbed on nanoparticles of silica (Cab-O-Sil) have been studied with temperature modulated differential scanning calorimetry (TMDSC) using a quasi-isothermal method. The data are analyzed in a variety of ways including, for the composite, a simple mixture model and another model that includes bound segments which have reduced heat capacities. A more precise understanding of the polymer was found after the subtraction of the heat capacity of the silica nanoparticles. It was found that the heat capacity of the polymer as a function of adsorbed amount could be fit with an exponential dependence of the heat capacity.

The need for high-power and high-energy Li-ion batteries for the electric car industry is greater than ever before. Carbon black particles are the typical conductive additive to enhance the cathodes of Li-ion batteries. In this study, we enhance Li-ion batteries performance by using special multi-wall carbon nanotubes (SMWCNTs) instead of carbon black particles, which gives much more promising results. Our cathode materials include LiFePO4, SMWCNTs and PVDF (polyvinyl-di-fluoride). The main focus of our research is to find the best ratio among them and the best mixing method to form a well-dispersed and stable conductive network inside the li-ion batteries cathode.

Single-walled carbon nanotubes (SWCNTs), with selected amines complexed, have applications as chemical sensor sensitivity enhancers; for example aniline, pyridine, and ethylenediamine each enhances the sensitivity of SWCNTs to reversibly detect thionyl chloride. The nature of molecular level interactions involved in SWCNT-amine complexes is poorly understood. A

19 better understanding of these interactions would enable exploiting the unique properties of SWCNTs and their complexes. The impact of SWCNTs upon selected amines as quantified by using proton NMR spectroscopy will be presented. The amine protons, which display the maximum chemical shift change, are those protons α to nitrogen, due to their proximity to and influence by SWCNTs.

B. Biochemistry (5 papers) Moderator Dr. Kyle Moore Room 100 Science Complex Assisted by Seth Geiger

The past decade has yielded highly sophisticated analytical instrumentation that now makes the large-scale biochemical profiling of mRNA, proteins and metabolites possible. These technologies are routinely referred to as transcriptomics, proteomics and metabolomics. We are using integrated metabolomics and transcriptomics to obtain novel insight into legume natural product biosynthesis. Legumes are fundamental sources of nutrition for most global cultures due to their high protein content achieved through unique symbioses with nitrogen-fixing bacteria. Legumes also produce a wide array of natural products including flavonoids, isoflavonoids, lignin, anthocyanins, and triterpene saponins. These compounds serve critical roles in plant defense, plant-microbe interactions, symbiosis, and human and animal health. This presentation will introduce the model legume Medicago truncatula and provide an overview of our metabolomics technologies. The presentation will also provide specific examples of how we are exploiting integrated metabolomics for the discovery and characterization of triteprene saponin biosynthetic genes.

2B. 2:30 PM ISOLATION OF NADASE FROM AGKISTRODON PISCIVORUS LEUCOSTOMA AND AGKISTRODON PISCIVORUS PISCIVORUS VENOM. Matthew G. Moudy and Rodney Cate Chemistry Department, Midwestern State University, Wichita Falls, Texas 76308

Nicotinamide adenine dinucleotide glycohydrolase (NADase) enzymes often show activities of NAD-glycohyrolases, ADP ribose (ADPR) cyclases or cyclid ADP ribose (cADPR) hydrolases. The NADase of Agkistrodon acutus venom demonstrated multiple activities including the hydrolysis of ATP, ADP, and AMP-PNP as well as the cleavage of NAD+ to ADRP and nicotinamide. NADase from Agkistrodon piscivorus leucostoma venom was isolated in a three step purification procedure by cation exchange, gel permeation and anion exchange chromatography after the method of Wu, et al. Homogeneity of the isolated enzyme was verified by SDS polyacrylamide gel electrophoresis. The NADase active fraction is currently being isolated from Agkistrodon piscivorus piscivorus venom for subspecies comparisons.

3B. 2:50 PM

ISOLATION OF NADASE FROM AGKISTRONDON PISCIVORUS LEUCOSTOMA VEMON Rodney Cate, Jeremy Lynn Motley*, and Matthew Moudy, Midwestern State University, Wichita Falls, TX

Nicotinamide adenine dinucleotide glycohydrolase (NADase) enzymes often show activities of NAD-glycohydrolases, ADP ribose (ADPR) cyclases or cyclic ADP ribose (cADPR) hydrolases. The NADase of Agkistrodon acutus venom demonstrated multiple activites includin the hydrolysis of ATP, ADP, and AMP-PNP as well as the cleavage of NAD+ to ADRP and nicotinamide. NADase from Agkistrodon piscivorus leucostoma venom was isolate in a three step purification procedure by cation exchange, gel permeation and anion exchange chromatography after the method of Wu, et al. Homogeneity of the isolated enzyme was verified.

Break: 3:10 – 3:30 PM

4B. 3:30 PM DEVELOPMENT AND SCREENING OF TRANSITION METAL COMPLEXES AS CXCR4 ANTAGONISTS. T. J. Hubin, S. J. Archibald, and D. Schols, Department of Chemistry, Southwestern Oklahoma State University, 100 Campus Drive, Weatherford, OK 73096

CXCR4 chemokine receptors are found on the surface of immune, and other, cells, and together with the specific natural ligand, stromal cell-derived factor-1K (SDF-1K, also known as CXCL12), play a role in a number of disease states. For example, CXCR4 expression has also been reported in at least 23 different epithelial, mesenchymal and hematopoietic cancers. Also, CXCR4 receptors have been identified as an entry route for HIV into cells. Due to the wide- ranging potential biomedical applications that might result, our aim is to develop new antagonists for the CXCR4 receptor. They are conformationally fixed macrocyclic complexes where the unrestrained equivalent is a known CXCR4 antagonist, AMD3100. We have successfully demonstrated our concept in the synthesis and initial testing of several of our proposed compounds.

5B. 3:50 PM STERIC LIMITATIONS IN THE B. ANTHRACIS DIHYDROFLOATE REDUCTASE ACTIVE SITE. Christina R. Bourne1, Nancy Wakeham1, Baskar Nammalwar2, Kal Ramnarayan3, Phil C. Bourne1, Esther W. Barrow1, Richard A. Bunce2, K. Darrell Berlin2, and William W. Barrow1, 1OSU Dept of Veterinary Pathobiology, 250 McElroy Hall, Stillwater OK 74078, 2OSU Dept of Chemistry, 107 Physical Sciences, Stillwater OK 74078, 3Sapient Discovery, 10929 Technology Place, Suite B, San Diego CA 92127

Our research team is focused on the development of compounds to treat infections caused by B. anthracis as achieved by inhibiting the enzymatic activity of dihydrofolate reductase (DHFR). Previous results have outlined the fit of our lead compound, RAB1, within the protein active site. Examination of the three-dimensional structure with in silico methods identified a small unoccupied pocket deep within the site and suggested modification of the lead compound to maximize interaction at this location. These compounds were synthesized and the biologic metrics of the concentration to inhibit 50% of the enzymatic activity (IC50) and the minimum

21 inhibitory concentration to halt growth of the B. anthracis organism were determined. These revealed a progression to higher values, indicating a poor fit within the site. Further structural analysis suggests this is due to a steric restriction of inhibitor movement within the site, making alterations to maximize favorable geometry unfeasible at this site.

C. Organic (7 papers) Moderator Dr. Ted Snider 102 Science Complex Assisted by Erin France

1O. 11:00 AM DESIGN AND SYNTHESIS OF SUBSTITUTED 6-ALKYL-2,4-DIAMINOPYRIMIDINES AS POTENTIAL DRUG SCAFFOLDS TO INHIBIT BACILLUS ANTHRACIS. B. Nammalwar,* R. A. Bunce,* K. D. Berlin,* C. R. Bourne,** P. C. Bourne,** E. W. Barrow,** W. W. Barrow** and Kal Ramnarayan,ª , *Department of Chemistry and **Department of Veterinary Pathobiology, Oklahoma State University, Stillwater, OK and ªSapient Discovery, San Diego, CA

A series of substituted 6-alkyl-2,4-diaminopyrimidines were synthesized and examined for activity against the bacteria Bacillus anthracis. The significance of these drugs is their ability to inhibit the dihydrofolate reductase (DHFR) enzyme in B. anthracis without affecting human DHFR. New synthetic methodology was developed for the syntheses, which included methyl, ethyl and n-propyl groups attached to the 6-position of the pyrimidine ring. The use of a highly efficient palladium-containing catalyst was successfully applied in the last step to generate the final products.

A method has been developed for the efficient and inexpensive synthesis of several benzo-fused heterocycles important in drug chemistry. Earlier methods to prepare these ring systems utilized expensive Lewis acid catalysts and required elaborate purification schemes, which resulted in loss of product. We have found, however, that inexpensive ammonium chloride is superior to these catalysts and generates the desired products in 90-95% yields without extensive purification. The presentation will illustrate the preparation of benzimidazoles, benzoxazoles and benzothiazoles. Ammonium chloride will be compared with other catalysts reported in the literature and a mechanism will be presented.

3O. 11:40 AM TETRAHYDROISOQUINOLINES AND TETRAHYDROQUINOLINES BY FRIEDEL- CRAFTS CYCLIZATIONS PROMOTED BY IRON(III) CHLORIDE HEXAHYDRATE. Nicholas R. Cain and Richard A. Bunce, Department of Chemistry, Oklahoma State University, Stillwater, OK 74078-3071

Synthetic approaches to tetrahydroisoquinolines and tetrahydroquinolines using an iron(III) chloride hexahydrate-promoted Friedel-Crafts cyclization has been developed. This strategy

22 produced tetrahydroisoquinolines in good to excellent yields. The use of this mild Lewis acid for the transformation generally reduced unwanted substrate fragmentations observed using more stringent reaction conditions. A comparison of iron(III) chloride hexahydrate with classical acid catalysts for the cyclization will be presented along with the synthesis of reaction substrates and mechanisms for the various processes.

C. Organic (7 papers) Moderator Dr. Mary Tohidi 102 Science Complex Assisted by Erin France

4O. 2.30 PM 1-ALKYL- AND (±)-1,2-DIALKYL-2,3-DIHYDRO-1,8-NAPHTHYRIDIN-4(1H)-ONES BY A TANDEM MICHAEL-SNAr ANNULATION REACTION. Richard A. Bunce and Scott T. Squires, Department of Chemistry, Oklahoma State University, Stillwater, OK 74078-3071

A tandem Michael-SNAr annulation reaction has been developed for the synthesis of 1-alkyl- and (±)-1,2-dialkyl-2,3-dihydro-1,8-naphthyridin-4(1H)-ones. Treatment of 1-(2-chloropyridin-3- yl)prop-2-en-1-one (R = H) or (E or Z)-1-(2-chloropyridin-3-yl)but-2-en-1-one (R = Me) with R'NH2 in DMF at 50 ˚C for 24 h provides 2,3-dihydro-1,8-naphthyridin-4(1H)-ones in 65-85% yields. Mechanistic studies suggest that the reaction sequence is initiated by Michael addition to the side chain enone.

5O. 2.50 PM SYNTHESIS OF ELECTRON DONOR/ACCEPTOR SUBPHTHALOCYANINE DIMERS. Lakshmi Chockalingam Kasi Viswanath, Oklahoma State University, Stillwater, OK.

Subphthalocyanines (SubPc), lower homologues of phthalocyanines (Pc), are comprised of three isoindole units N-fused around a boron atom. The cone shape of the electron-accepting SubPcs affords unique photophysical and photochemical properties as compared to the flat phthalocyanines due to their unique shape and solubility properties. Multicomponent photo assemblies have been synthesized through various routes involving both peripheral and/or axial substitution. The axial approach towards synthetic modification is advantageous as the electronic properties of the SubPc macrocyle is preserved. We are interested in synthesizing donor-acceptor SubPc systems via the axial position to study the electronic interactions between the donor and the acceptor moieties. Chloro SubPcs are reacted with a variety of oxygen containing nucleophiles (hydroquinone, substituted Porphyrins and Perylenes) to afford axially substituted SubPc dimers. Nucleophilic substitution of the axial chloride by the hydroxyl group is accomplished by refluxing chloroSubPc in toluene. In some cases, generation of a stronger oxygen nucleophile is required for the substitution and can be achieved by addition of an appropriate base. SubPc derivatives prepared in this study are expected to have outstanding, tunable properties for photo-induced electron/energy transfer, nonlinear optics, or sensing applications.

Break: 3:10 – 3:30 PM

Tetraphenylazadipyrromethene (TPADPM) was synthesized using methods previously reported in the literature and its NMR and UV-visible spectra were examined. The synthesized product was subjected to cyclic voltammetry to evaluate the various electrochemical properties of the compound in nonaqueous media. Two reversible reductions and up to four irreversible oxidations were observed for this compound. Both reduction processes were confirmed to be diffusion-controlled in cyclic voltammetry.

7O. 3.50 PM DERIVATIZED CYCLODEXTRINS: KEY INGREDIENTS IN NOVEL MATERIALS. Gaumani Gyanwali, Mathis Hodge, and Jeffery White, Department of Chemistry, Oklahoma State University, Stillwater, OK

Amphiphilic cyclodextrins can form assemblies that exhibit molecular recognition both in their cavities and conjugated groups. Micelles, nanoparticles, monolayer and bilayer vesicles can be formed by self-assembly of amphiphilic cyclodextrins. We have developed some simple routes for the synthesis of hydroxyalkyl-, haloalkyl-, and polyethylene glycol (PEG)- functionalized cyclodextrins. Some of these are network materials with interesting properties and may potentially be used as molecular sponges. The alkyl products are synthesized as a result of one- pot two step reaction process using haloalkyl reagents in presence of NaOH. An acid catalyzed hydrolysis of CD-OHs with the terminal hydroxyls of PEG gave the PEG products. Solid state nuclear magnetic resonance (SSNMR) confirms the functionalization. Infrared spectra and wet test results for bromide ions in the residual mixture agree with the NMR results. A key result is the variation of degree of functionalization, and differential solubility in polar or non-polar solvents.

D. Catalysis/Inorganic/Organometallic (8 papers) Moderator Dr. Jim Stanton Room 103 Science Complex Assisted by Kristen Worthen

Fast pyrolysis of biomass for liquid bio-oil production is an appealing strategy for the production of liquid fuels due to the relatively low cost of the process and wide range of biomass sources that may be incorporated. A major drawback is that the liquid bio-oil produced has characteristics that deem it unsuitable for transportation fuels such as thermal instability, corrosivity, and low heating value. This study investigates the use of a dual-function Ru/TiO2 catalyst for the vapor-phase upgrading of guaiacol, a lignin derived model compound present in bio-oil, in a reducing environment. Catalyst stability and activity at 400°C toward deoxygenation

24 and transalkylation reactions are compared for various derivatives of this catalyst. Catalyst pretreatment conditions, including calcination temperature, support phase, and surface area yield significant shifts in catalytic performance. Explanations of the observed trends and the resulting implications on the upgrading of real bio-oil streams will be discussed.

UV-Vis spectra calculations were performed within the time-dependent density function framework for several Mo oxides and peroxides. First, the UV-Vis spectra for two Mo(VI) compounds, molybdic acid and molybdate ion were computed and used to validate the methodology. Next, larger molybdenum oxide clusters were investigated to ascertain possible particle size effects on the electronic spectra. Finally, one or more Mo (VI) atoms were replaced by Mo (V) atoms to investigate the effects on the UV-Vis absorption spectra. Specifically, the location and transition intensity of a charge transfer transition between the Mo atoms were identified. The clusters constructed using bond lengths and angles provided by the crystallographic databases. Also, density functional theory were used to optimize the structure of clusters and UV-Vis spectra calculations were performed for geometry optimized clusters. The results from these calculations are compared to those from previous calculations.

3C. 11:40 AM ADSORPTION OF PHOSPHATE VIA AN IRON COORDINATION POLYMER. David B. Corter and Allen W. Apblett, Department of Chemistry, Oklahoma State University, Stillwater, OK 74075

Runoff from crop fertilization often leads to increased levels of phosphate in waterways. This overabundance of phosphate in water results in eutrophication and stagnation. An iron coordination polymer was synthesized from ferric chloride and fumaric acid. The iron polymer has been shown to adsorb phosphate in appreciable amounts, forming insoluble iron phosphate. The iron phosphate may be easily removed, thus providing an inexpensive and environmentally responsible way to treat phosphate rich water.

Heme is an essential cofactor used by the blood protein hemoglobin (Hb) for the binding and transportation of oxygen. Loss of heme from Hb negatively impacts its function, although the dissociation is necessary for iron recycling. The complexity of the Hb-nitrite interaction is derived from the ability of nitrite to oxidize ferrous Hb, bind to the heme center, covalently modify the heme, and degrade the protein via an as-yet-undefined heme loss process. We have characterized, by X-ray crystallography, three compounds that display (in addition to nitrite

25 binding to heme) structural modifications of human Hb. The first is an unprecedented complex that exhibits a large beta heme displacement of 4.8 Å towards the protein exterior, and exogenous nitrite ligand binding at the proximal binding site. In addition, two crystal structures of Hb-nitrite complexes display regiospecific nitration of the heme at the 2-vinyl position. Our results provide important structural insights into a possible pathway for the nitrite-induced Hb degradation process.

MgO-containing catalysts are known to be active in aqueous-phase aldol condensations of ketones and furanic aldehydes, which are reactions with a high potential in a future bio-oil upgrading process scheme. The model reaction of acetone and furfural has been studied in several papers, but the effects of acid, alcohol and other organics, which are abundant in bio-oil, on the catalysis and the catalyst are not clear. In order to evaluate the potential of MgO- containing catalysts for bio-oil upgrading, the performance of these catalysts is studied in this work, including the effect of acid addition, solvent effects, and reusability. As shown by infrared spectroscopy, the MgO catalysts are instable in acid solution, and their activities decrease with the concentration of acid. Moreover, strong solvent effects and poor reusability indicate that MgO and perhaps other strongly basic oxides are unsuitable for bio-oil upgrading by liquid- phase aldol condensation.

Break: 3:10 – 3:30 PM

Alkylation reaction of phenolics and small oxygenates was studied in upgrading bio-oil. Alkylation is an efficient way to retain carbon from small oxygenates in the liquid product. A two-stage process is proposed to convert carbonyl compounds and phenolics simultaneously in gas phase. In the first stage carbonyl compounds from bio-oil are selectively hydrogenated to alcohols by metal catalysts. In the second stage, the resulting alcohols alkylate the phenolic compounds and get products at the fuel-range over acidic zeolite. C3 oxygenates and m-Cresol were chosen to be model compounds. The reaction mechanism was studied. Propanol was dehydrated to propylene before alkylating m-cresol. Oligomerization of propylene over the zeolite was believed to deactivate the catalyst a lot. Also Pt-Fe bimetallic catalysts were found to be able to selectively hydrogenate the carbonyl group in acetone and keep the benzene ring of m- cresol unchanged. This proposed novel process allows upgrading the bio-oil at mild temperature (200 ℃).

7C. 3:50 PM SULFITE-DRIVEN, VANADIUM (V)-CATALYZED DEOXYDEHYDRATION OF GLYCOLS. Garry Chapman Jr. and Kenneth Nicholas, Stephenson Life Science Research, University of Oklahoma, Norman, OK 73019

Reactions which convert biomass-derived polyol substrates into partially/completely deoxygenated products of great potential value for the sustainable chemical and fuel production. We have discovered that metavanadate salts and vanadium(V) oxide catalyze the deoxydehydration (DODH) of glycols and deoxygenation of epoxides by sulfite, producing olefins. The scope, efficiency and selectivity of these reactions with respect to the polyol substrate, the reducing agent, the catalyst, and the reaction conditions will be reported during this presentation.

8C. 4:10 PM TRIGLYCERIDE DEOXYGENATION WITH Pt/SIO2 CATALYSTS. Andrew D. D'Amico, Lance L. Lobban, Rolf E. Jentoft, Daniel E. Resasco, and Kyle W. Elam, University of Oklahoma, School of Chemistry, Biology and Material Engineering, Norman, OK 73019

Deoxygenation of natural oils and fats, consisting primarily of triglycerides and fatty acids, has the prospect to replace a significant amount of current distillate fuel oil consumed domestically and globally. This study combines data from batch and fixed-bed reactors, using a 1% Pt/SiO2 catalyst, operated under different partial pressures of hydrogen, temperatures around 300 oC, and pressures around 350 psig. Triglyceride sources in this study include trilaurin and tricaprylin. Products and intermediates include alkanes from hydrodeoxygenation and decarboxylation/decarbonylation mechanisms, fatty acids, alcohols, esters, and diglycerides. We will present the quantification of diglyceride intermediates not discussed in current literature, reactions of intermediates (fatty acids, esters, etc), catalyst stability over extended time, and effects of varying hydrogen partial pressure. We have found that this catalyst is effective for deoxygenation, is stable for over 20 hours on stream in pure hydrogen, and seems to be stable in atmospheres of hydrogen/helium mixtures.

E. Analytical/Environmental (7 papers) Moderator Dr. Keith Vitense Room 104 Science Complex Assisted by Godsfavour Umoru

1A. 11:00 AM HEAVY METAL ANALYSIS IN MUSSEL SHELLS BY LA-ICP-MS. Wesley Williams Department of Chemistry, University of Tulsa, Tulsa, OK

It is environmentally imperative that methods are in place to monitor changes in the evolution of toxic metals. Here we report on an analytical method developed by using mussel species from the Tar Creek region to act as indicator species for monitoring natural and man-made disturbances in water quality. The method is based on analysis of heavy metal incorporation in the annual and seasonal growth layers of mussel shells using laser ablation inductively-coupled plasma mass spectrometry (LA-ICP-MS). By using standards such as the NIST-612 by the USGS, quantifiable differences can be seen between growth layers. These differences in heavy

27 metal concentrations can be used for long-term monitoring and data analysis for a variety of resources. 2A. 11:20 AM DETECTION AND QUANTITATION OF TRICLOSAN IN OKLAHOMA SURFACE WATERS USING SOLID PHASE MICROEXTRACTION (SPME) AND GAS CHROMATOGRAPHY MASS SPECTROSCOPY (GCMS). Kacy Rosales, Daniel Poulain, Dayton Marti, Ashkaan Bahreini, Jon Johnston, Steve Everman, Robert Brennan and John Bowen*, Department of Chemistry, University of Central Oklahoma, Edmond, OK 73034

A double spike method was developed for the analysis and quantitation of triclosan at low parts per billion levels in streamwater was developed. The method used both triclosan and its deravitive ethylated triclosan as internal standards at 5 ppb. The analytes were concentrated using SPME and analyzed using GCMS. The method was used to analyze a series of known solutions of triclosan to 0.2 ppb, and on solutions collected from Brush Creek upstream, at and downstream of the outflow of a sewage treatment plant.

3A. 11:40 AM VISUALIZING NEUTRAL CARBOHYDRATES IN CE-MS. (Joel) Tim Smith, Dept of Chemistry, Computer, and Physical Science, Southeastern Oklahoma State University, Durant, OK 74701

A novel method to visualize neutral carbohydrates in capillary electrophoresis-mass spectrometry (CE-MS) has been explored. The methodology utilizes 4- aminomethylphenylboronic acid (AMPBA) under alkaline conditions. The AMPBA ionizes to a boronate, which can then complex to sugar. This AMPBA-sugar complex induces charge to the sugar allowing for separation in CE. The separation is governed by the degree of complexation between the AMPBA and the carbohydrate. A post-column addition of a hydro-organic sheath fluid containing an acid modifier has a dual role. First the acidic modifier neutralizes the boronate back into a neutral boronic acid. Second, the acid modifier protonates the AMPBA to yield a positive ion complex that is easily detectable with electrospray ionization in the mass spectrometer. The methodology will be demonstrated with common 5- and 6-member carbohydrates and well as linear sugar alcohols. Limits of detection for neutral sugars are in the low femtomole range.

4A. 2:30 PM THE USE OF STEROL DISTRIBUTIONS AND COMPOUND SPECIFIC ISOTOPE ANALYSIS TO IDENTIFY THE SOURCE OF FECAL CONTAMINATION. Coralie Biache and Paul Philp, School of Geology and Geophysics, University of Oklahoma, Norman, OK 73019

The qualitative and quantitative study of sterol distributions has proven to be a useful tool to identify fecal contamination. Differences in the sterol distributions, and concentrations, can be used to relate the source of the feces to specific warm-blooded animals. This approach was applied to the Illinois River Basin where 9 sediment samples were collected and analyzed for their sterol concentrations and distributions. Low concentrations of fecal sterols were observed, the phytosterols and cholesterol being the major sterols quantified in the sediments. However,

28 due to the absence or the limited presence of reducing bacteria in their guts, the fecal sterol concentrations in some animal feces (e.g. birds and dogs) are very low. The sterol distribution of the sediments was compared to those of chicken manure and both exhibit similar sterol distributions. Compound specific isotope analyses were performed to determine the sterol C isotope ratios in order to confirm their origin.

5A. 2:50 PM RAPID QUANTIFICATION OF SODIUM DITHOINITE AND ITS DECOMPOSITION PRODUCTS BY ION CHROMATOGRAPHY. Travis H. James, Allen W. Apblett, and Nicholas F. Materer, Department of Chemistry, Oklahoma State University, Stillwater, OK 74075

Sodium dithionite is an oxidizable sulfur oxyanion often employed as a reducing agent in environmental and synthetic chemistry. This industrially important reagent slowly decomposes into a variety of sulfur oxyanions. Thus, a rapid method to assess purity of a given sample is crucial. Despite the importance of this material to the wood pulping and textile industries, a rapid, reliable method to quantify dithionite and its decomposition products remains a challenge. Current methodologies require extensive bench-top chemistry. Ion chromatography can provide a simple one-step method that can easily be automated to rapidly and accurately determine the concentration of dithionite and its decomposition product, thiosulfate. The results are in excellent agreement with those obtained using a multi-step iodometric titration.

Break: 3:10 – 3:30 PM 6A. 3:30 PM ANALYSIS OF VANILLA AND VANILLIN EXTRACT USING REVERSED PHASE LIQUID CHROMATOGRAPHY WITH WATER RICH MOBILE PHASES. Undugodage Don Nuwan T. Perera, Desire T. Corona, and Barry K. Lavine, Department of Chemistry, Oklahoma State University, Stillwater, OK 74078

Vanillin (4-hydroxy-3-methoxybenzaldehyde) is the major constituent of vanilla extract. Natural vanilla extract prepared from the bean of a tropical orchid is expensive due to the limited supply of the bean. For this reason, synthetic vanilla extracts are widely used. Synthetic vanilla extracts are less complex and usually contain vanillin, ethyl vanillin, and other related compounds that are prepared from inexpensive starting materials. Several liquid chromatographic methods have been developed to quantitate coumarin, vanillin, and ethylvanillin in vanilla extracts. The use of water rich mobile phases in reversed phase liquid chromatography (RPLC), e.g., 1% butanol in water with 0.2% acetic acid with C18, C8, and cyanopropyl columns, has been investigated as a potential method to characterize the composition of synthetic vanilla extracts. Better resolution is achieved in the separation of vanillin compounds when hydrophobic alcohols are used as organic modifiers in RPLC, can be attributed to butanol partitioning into the bonded phase which provides a more extended ordered surface increasing the contact surface area of the stationary phase. Using water rich mobile phases, it is possible to quantitate the various constituents comprising synthetic vanilla extracts at lower concentrations and to identify constituents of vanilla extracts that have not been previously reported.

7A. 3:50 PM USE OF A SPREADSHEET TO HELP STUDENTS UNDERSTAND THE ORIGIN OF THE EMPIRICAL EQUATION THAT ALLOWS ESTIMATION OF EXTINCTION COEFFICIENTS OF PROTEINS, Department of Chemistry and Biochemistry, University of Oklahoma, Norman, OK 73019-5251

A brief history of the development of the empirical equation that is used by prominent, internet- based programs to estimate (or calculate) the extinction coefficients of proteins is presented. In addition, an overview of a series of related assignments designed to help students understand the origin of the empirical equation is provided. The assignments culminate in a challenge whereby students were encouraged to develop a similar equation. The results of a student survey suggest that the assignments helped increase understanding of how the empirical equation was developed, in particular, and of the use of statistical methods (e.g., multiple linear regression, nonlinear least-squares fitting), in general.

F. Industrial/Miscellaneous (7 papers) Moderator Dr. Jim Weaver Room 101 Science Complex Assisted by JeanMarie Charles

1I. 11:20 AM THE IMPACT OF CLAY ON THE FIRE RETARDANCY PROPERTY OF POST CONSUMER CARPET COMPOSITES. S. Das,1,2 K. P. Bastola,2 R. Vaidyanathan,2 and R. P. Singh1, 1Mechanics of Advanced Materials Laboratory School of Mechanical and Aerospace Engineering, Oklahoma State University, 526 N Elgin Avenue, Tulsa, OK 74106, 2 Next Generation Material Laboratory, Oklahoma State University, 526 N Elgin Avenue, Tulsa, OK 74106

VARTM infused epoxy- postconsumer carpet composite has potential applications in the construction of low cost building materials and highway sound barrier panels. But the slow environmental degradation and poor fire retardancy of the composites hold some limitations to its applications. The composites were coated with epoxy resin containing1, 2 and 4% organoclay (1.28E). Also carpet composites were fabricated with epoxy resin containing 4% clay by VARTM infusion. Fire retardancy test will be performed following ASTM E1354 standard. The flame retardancy of clay-epoxy-carpet composites will be compared with neat epoxy- carpet composite. Clay coated and clay-epoxy infused carpet composites are expected to give better fire retardancy properties than neat epoxy carpet composites.

2I. 11:40 AM INVESTIGATION OF THE SOLUBILITY AND INTERFACIAL BEHAVIOR OF VARIOUS ASPHALTENES UNDER SEVERE REFINERY AND TRANSPORT CONDITIONS Guangzhe Yu1, Andrew B. Woodside2, and Brian P. Grady1, 1Institute for Applied Surfactant Research and School of Chemical, Biological & Materials Engineering, University of Oklahoma, Norman, OK 73019 2ConocoPhillips, Bartlesville, OK, 74004

In order to understand the behavior of asphaltenes in bulk crude oil under refinery and transport conditions, two pressurized cells designed to operate at elevated temperature (up to 200 °C) were

30 built. With these devices we were able to test a) solubility properties of various asphaltenes in water with varying salinity, b) interfacial properties at the organic liquid-air interface with asphaltenes dissolved in model organic liquids, i.e. toluene and c) interfacial properties at the organic liquid-aqueous interface again including understanding the influence of salinity in the aqueous phase. The ultimate purpose of this study is to acquire the fundamental knowledge of various asphaltenes, which in turn can improve the current art of handling crude oil-water mixtures in oil extraction, transport and refining.

3I. 2:30 PM AN ORGANIC GEOCHEMICAL INVESTIGATION OF THE SIRT SHALE, CENTRAL OF SIRT BASIN, LIBYA. Alsharef Albaghdady and Paul Philp , ConocoPhillips School of Geology and Geophysics, University of Oklahoma, Norman, OK.

The Sirt Basin contains most of Libya's producing oil fields. It is located in north Libya, bordered on the north by Gulf of Sirt in the Mediterranean Sea. The Sirt shale was deposited during the Maastrichtian to lowermost Campanian and is the main source rock in the basin. The samples analysed in this study were collected from a well which is located south of Al Jabal oil Field on the Zaltan Platform. The total organic carbon content is a good to excellent source rock for oil generation and the kerogen types are type II and II/III. The relatively high abundance of low molecular weight n-alkanes compared to high molecular weight n-alkanes suggests an absence or low contribution from terrigenous organic matter. Biomarker parameters suggest that the Sirt Shale was dominated by marine organic matter deposited under oxic to suboxic saline conditions. The study indicates that these source rocks are mature and the main phase of oil generation has been reached.

4I. 2:50 PM ORGANIC GEOCHEMISTRY OF THE WOODFORD SHALE, SOUTHEASTERN OKLAHOMA. Andrea Miceli Romero and R. Paul Philp, Oklahoma University, Norman, OK 73019

Woodford Shale samples, obtained from a cored outcrop, were geochemically analyzed to determine variations of organic facies, thermal maturity, and depositional environments. In this area, the Woodford Shale has a good source rock potential and is marginally mature. It is composed of a mix of marine and terrestrial organic matter. High-salinity conditions and water density stratification also prevailed during deposition of this formation. Redox and photic zone anoxia conditions were estimated for the three informal members in which the Woodford is commonly subdivided. The relative hydrocarbon potential parameter was used in determining base level changes. This study undoubtedly demonstrates the significant lithlologic and chemical variability that occurs within shales. The application of this workflow to regional studies can have a direct influence on exploration and production activities in shale-gas systems.

Break: 3:10 – 3:30 PM

5I. 3:30 PM TRANSISTOR PAINT: HIGH REPRODUCIBLE CHARGE MOBILITIES IN NARROW BANDGAP POLYMER SEMICONDUCTOR. Toby L. Nelson, Tomasz M. Young, Junying

Liu, Sarada P. Mishra, Tomasz Kowalewski, and Richard D. McCullough*, Carnegie Mellon University, Department of Chemistry, 4400 Fifth Avenue, Pittsburgh, PA 15213

Presented is the next generation of “transistor paint” defined as conducting plastics that have reproducible isotropic granular morphologies, reproducible high charge mobilities and environmental stability. The objective was to design a polymer semiconductor that incorporates a strong donor-acceptor diad system in order to improve charge mobility. The new transistor paint exhibits reproducible granular morphologies and mobilities as high as 0.4 cm2/Vs, which were stable up to 30 days under ambient conditions. Given these desirable properties, this organic material holds promise toward printable disposable technologies such as RFID tags.

6I. 3:50 PM A SYSTEMATIC APPROACH TO THE DETERMINATION OF THE AIR ENTRAINING ABILITY IN CONCRETE OF ORGANOSULFATE SURFACTANTS WITH VARYING CHAIN LENGTHS. Cody Cannon and Allen W. Apblett, Department of Chemistry, Oklahoma State University, Stillwater, OK 74078

Concrete is the second most material used by humans with more than 6 billion cubic meters of concrete being placed annually. It often needs to perform well in environments that see freezing temperatures where it is susceptible to frost damage. One method of combating this problem is to introduce bubbles into the cement by using a surfactant during the mixing process. The current study looks at the ability of organosulfate surfactants of varying lengths to act as air entrainers in cement. The development of air entraining agents has mostly followed an empirical approach. Therefore, in this investigation, the chain length of organosulfate surfactants was varied systematically in order to determine the exact effect on their air entraining capabilities.

Poster Presentations Upper Level, Science Complex The presenter(s) expected to be with posters 10:00 – 11:00 AM

NANO 1P. CHARACTERIZATION OF THE THERMAL AND MECHANICAL PROPERTIES OF DGEBA EPOXY/SWNT NANOCOMPOSITES. Sathish Kumar Lageshetty and Kevin D Ausman, Department of Chemistry, Oklahoma State University, Stillwater, OK 74078

Efforts to produce nanocomposites with tailored physical properties have resulted in significant interest in improving the particle-polymer interactions. The present study explores the mechanism of interactions between SWNT additives and polymer chains. The study is focused on monitoring the dispersion of SWNT in the solvent, and determining the thermodynamic characteristics of the resulting nanocomposites, especially the variations of glass transition temperature (Tg) with filler loading (0.001-0.004 % w/w). Results show that UV-Vis-NIR Spectroscopy can be used to monitor the dispersion of SWNT in N-methyl-2-pyrrolidone

(NMP). Differential scanning calorimetry (DSC) study shows an increase in the glass transition temperature from 139-146 oC with 0.004 % w/w loading suggesting the better interaction of SWNT with the epoxy resin.

2P. CONSTRUCTION AND STUDY OF THE PROPERTIES OF DYE-SENSITIZED SOLAR CELLS FROM TITANIUM DIOXIDE NANOPARTICLES. Seth Geiger, Godsfavour Umoru, Kristen Worthen, Levi Pettijohn, Miwa Fukuda, and E. Ann Nalley, Department of Physical Sciences, Cameron University, Lawton, OK 73505

In this research dye-sensitized solar cells were constructed using both natural and synthetic dyes with titanium dioxide nanocrystals. The properties and performance of the solar cells were compared with the ultimate goal of finding an inexpensive dye which would match the performance of cells constructed from transition metal complexes. These cells consist of titanium dioxide nanocrystals that are coated with light-absorbing dye molecules and immersed in an electrolyte solution, which is sandwiched between two glass plates. Light striking the dye frees electrons and creates "holes"--the areas of positive charge that result when electrons are lost. The semiconducting titanium dioxide particles collect the electrons and transfer them to an external circuit, producing an electric current. A common organic dye used to stain biological specimens and a diazo dye synthesized in our laboratory produced solar cells which matched the voltages produced by studies with transition metal complexes as the dye. The results of these solar cells and problems associated with them will be discussed.

In an effort to make fun nanoparticle projects for students in a summer science academy in nanotechnology, we followed the procedure from the University of Wisconsin for making gold and silver nanoparticles. These were immobilized in PVA to produce a dye solution which could be applied to glass or Plexiglas that looked like stained glass windows. Incorporation of nanoparticles in glass to make stained glass is a procedure that has been utilized since the Middle Ages. The dye solutions produced by following this procedure were unpredictable, dull and unsuitable for use as stained glass. We then tried using organic dyes in place of the metallic dyes, and found that they gave the intense color that we had been seeking. Many of the dyes used are food dyes and may actually be safer than metallic dyes. The procedures for making the dyes and the art forms produced will be discussed.

4P. INCORPORATION OF PHENYLAMINE FUNCTIONALIZED SINGLE-WALL CARBON NANOTUBES INTO POLYIMIDES. David Martyn and Issac Schneberger, Southwestern Oklahoma State University, Weatherford, OK 73096

Single-wall carbon nanotubes were functionalized with phenylamine and incorporated into a polyimide. The nanotubes were functionalized via dissolving metal reduction using halophenylamine donor compounds. Lithium metal was used as the electron donor in all

reactions. Four different halophenylamines, fluoro-, chloro-, bromo-, and iodoaniline, served as sources of the phenylamine functionality. Spectroscopic and gravimetric analysis of the products revealed significant functionalization and the presence of amine functional groups on the SWNT. The products of these reactions were used as comonomers and incorporated into a polyimide.

The photocatalytic reactivity Cr-incorporated Al-MCM-41 nanomaterials was investigated with transmission infrared spectroscopy using a model organic compound. It has been found that both Lewis and Bronsted acid sites were found to be present as determined by corresponding IR modes on surfaces. During adsorption at low temperature, the acetaldehyde molecule binds through H-bonding with surface –OH groups. In addition, a fraction of acetaldehyde adsorbed through Lewis acid sites- Cr (IV) and Al (III). The combination of both H-bonded and Lewis acid sites bound acetaldehyde underwent condensation reaction forming aldol which then dehydrated at elevated temperature forming 2-butenal. Acetaldehyde underwent photodecomposition to CO2 ¬ during photooxidation at 273 K and 173 K This oxidation involves photoactive acetyl radical and Cr ion. A variety of condensation products also identified using TPD during photochemical reaction.

6P. INTERACTION OF SMALL ORGANONITROGEN COMPOUNDS WITH SINGLE- WALLED CARBON NANOTUBES: A PROTON NMR STUDY. Donna J. Nelson,* Ravi Kumar, and Susan L. Nimmo, Department of Chemistry and Biochemistry, University of Oklahoma, Norman OK 73019

To understand the association of simple organic functionalities with single-walled carbon nanotubes (SWCNTs) at a molecular level, the complexation of small organonitrogen

34 compounds was studied by comparing the proton NMR spectra of free organonitrogens against SWCNT-complexed ones. The magnitude of change in proton NMR chemical shifts of the organonitrogens is correlated to the proximity of those protons to SWCNTs. Results of this study will help predict the interaction of SWCNTs with larger molecules containing such functional groups, e.g. SWCNT polymer blends and SWCNT biomolecule adducts for use in medicine. This will facilitate understanding and designing SWCNT adducts with specific desired macroscopic properties.

We report the synthesis and characterization of tamoxifen tethered single-walled carbon nanotube (SWCNT) conjugate, in which tamoxifen is covalently attached to the single-walled carbon nanotube via oxidation and esterification reactions for the first time. A functionalized SWCNT derivative was characterized by using spectroscopic techniques IR, UV-vis, Raman, and 1H NMR. The attachment of the drug tamoxifen to SWCNTs could provide a more efficient endocrine treatment and photothermal therapy for breast cancer.

BIOCHEMISTRY 8P. SYNTHESIS AND EVALUATION OF TRANSITION METAL COMPLEX DUAL CXCR4/CCR5 ANTAGONISTS. T. J. Hubin, S. J. Archibald, O. C. Birdsong, D. Won and D. Schols, Department of Chemistry, Southwestern Oklahoma State University, 100 Campus Drive, Weatherford, OK, USA 73096

Activation of cellular responses by signaling proteins called chemokines, is effected by their binding to membrane-bound chemokine receptors. Often, in diseases associated with chemokine receptors, receptor over-expression is observed, and disease progression can be mediated by small molecule receptor antagonists. However, the promiscuity native to chemokines provides for the possibility of defeat of single-receptor antagonist, as alternate chemokine/receptor interactions can circumvent the blocked signal. For these reasons, we have chosen to design, synthesize, and screen the biological activity of dual CXCR4/CCR5 antagonists. These antagonists are based on topologically constrained tetraazamacrocycle transition metal complexes.

9P. EFFECT OF PHYSICAL EXERCISE ON THE LEVELS OF SALIVARY STRESS MARKERS. Cassandra Clay and Katarzyna M. Roberts, Rogers State University, Claremore, OK.

Physical exercise has been proven to have a positive impact on one‟s physical and mental health. This research project is focused on evaluation of the stress relief effect of physical exercise by measuring the levels of salivary stress markers: cortisol and α-amylase. Cortisol is a steroid hormone secreted by the adrenal gland and associated with the stress response in the human

35 body. Levels are increased during stimulation of the sympathetic nervous system. Salivary α- amylase is a correlate of sympathetic activity under conditions of physical or psychological stress. Quantitative measurement of cortisol and α-amylase variations were observed using salivary analysis in enzyme immunoassay kits. Cortisol and α-amylase levels overall were reduced in individuals who exercise regularly. The implications of these findings could suggest means of reducing stress by regular physical exercise.

10P. NMR STUDY ON PHOSPHOLIPID MEMBRANE-ANCHORED SYNTAXIN. Lian Duan, Penghui Lin, Liying Wang, and Donghua Zhou, Department of Physics, Oklahoma State University, Stillwater, OK 74075

The SNARE complex, which is formed by three proteins, syntaxin1A, synaptobrevin and SNAP25, promotes membrane fusion in neuron cells. In the SNARE complex, syntaxin1A contributes one helix to SNARE complex motif. We are going to use solid-state NMR to study the structure and lipid interaction of membrane-inserted syntaxin1A, which represents a state prior to membrane fusion. Syntaxin 1A was reconstructed into pET-28a vectors and expressed as inclusion bodies in E. coli BL 21 cells. Recombinant Syntaxin1A was purified using Ni-NTA affinity chromatography. 13C,15N and 13C,15N, 2H-enriched Annexin B12 was successfully expressed and purified syntaxin1A was reconstituted into lipid bilayers using the detergent removal method. Initial multi-dimensional NMR data were acquired, indicating the protein in helical conformation.

PAS domain is a developing protein superfamily that is identified in dozen of signal transduction molecules. We investigate a role of N-terminus portion in the recovery process of photocycle of a photosensor protein Photoactive Yellow Protein (PYP), which is a PAS domain prototype. PYP consists of 125 amino acids and 4-hydroxycinnammyl chromophore bound to Cys69 via thiolester linkage. Absorption of visible photon triggers photoisomerization of the chromophore followed by alteration of protonation state of the chromophore, structural changes of protein moiety and finally signaling-state is produced. The biological signaling state decays via thermal process, reisomerization of the chromophore and re-folding of the whole protein. Previous study showed N-terminus deletion slowed down the rate very much, which implied N-terminus accelerates the photocycle in wild type. We introduced disulfide bond in N-terminal portion of PYP, and observed the accelerated photocycle. The restricted movement of N-terminus reduces the photocycle rate.

12P. MEASURING THE REGULATORY EFFECTS OF ESTROGEN ON TNF-Α RECEPTORS I AND II IN RESPONSE TO AN EXPERIMENTALLY INDUCED URINARY TRACT INFECTION. Rebekah A Dunbar and Rashmi Kaul, Department of Biochemistry and

Microbiology, Oklahoma State University Center for Health Science, Tulsa, OK 74107 and Department of Biology and Chemistry, Oral Roberts University, Tulsa, OK 74171

Numerous studies have examined the influence of hormones on infectious diseases; however, the molecular mechanism of estrogen and its pathogenesis in Urinary Tract Infections (UTI‟s) is not known. This study hopes to define and enlighten some of the ambiguity regarding the hormonal status induced susceptibility of women to urinary tract infections. Tumor Necrosis Factor alpha (TNF-α) is an important cytokine produced upon microbial infection and mediates it action via cellular TNF receptors. The regulatory effects of estrogen on the production of TNF-α receptors were studied. The immunological effect of estrogen on TNF-α receptors was measured by implementing Immunohistochemistry. The experiment induced a urinary tract infection by Dr +E. coli in C3H/Hej anti-estrogen (ICI 182,780) treated mice. TNF-α RI and TNF-α II were differentially expressed in the bladder of anti-estrogen and control PBS treated mice. Thus, the results showed a noticeable increase in TNF-α receptor I and II production in the bladder epithelial cells of anti-estrogen treated mice.

Ovarian cancer has been shown to be mitigated by treatment with retinoic acid , but the side effects of retinoic acid are too severe to make this an acceptable therapy. A series of small molecules were synthesized at Oklahoma State University based on the original structure of retinoic acid, and one such compound known as ShetA2 has shown significant promise and is poised to begin human clinical trials. Because many drugs fail in clinical trials, other structurally related compounds were also synthesized to determine their ability to cause apoptotic cell death in human ovarian cancerous cells, but not in normal human ovarian cells. As a final individual project for CHEM 2104 Quantitative Analysis, ShetA2 and one previously untested analog were evaluated using cell culture models for their ability to affect cell viability.

Neutrophils (PMNs) and lymphocytes (PBMCs) are essential to a healthy immune system. SLE affects the function of these cells. The objective of this research is twofold: 1) To explore interactions between PMNs and PBMCs to better understand apoptotic defects described in these cells in lupus, and 2) To define the influence of PBMCs on neutrophil apoptosis. The PMNs and PBMCs were isolated by density gradient centrifugation, cultured, and then stained with Annexin

A5-rhodamine and propidium iodide (PI) and early apoptosis (Annexin) and cell death (PI) was measured by flow Cytometry. Using this methodology, three observations were made: 1) Lupus PMNs die faster than healthy PMNs, 2) Healthy PBMCs slow death of lupus PMNs, and 3) Lupus PBMCs also slow lupus PMN death, but less efficiently than healthy PBMCs. Previous studies of SLE have focused primarily on PBMCs and minimized the role of PMNs. Our studies provide evidence that there is a complex interaction between PMNs and PBMCs that influences apoptosis of both cell populations and is disordered in SLE. *Funding provided by OK-INBRE and OUHSC Department of Pediatrics.

ENVIRONMENTAL

15P. GEOCHEMICAL INVESTIGATION OF TANEZZUFT FORMATION, MURZUQ BASIN, LIBYA. T.A. Hodairi and R.P. Philp, School of Geology and Geophysics, University of Oklahoma, Norman, OK 73019

Geochemical investigation was undertaken on nineteen rock samples from Tanezzuft Formation „cool‟ shale, Murzuq Basin, Libya, using techniques such as Rock-Eval pyrolysis (RE), Gas Chromatography (GC) and Gas Chromatography Mass Spectrometry (GCMS). The results from this study show a close reliability between RE and biomarkers parameters data. Based on RE data, OM is characterized by poor to fair TOC. This is due to the relative oxicity of the depositional environment. Studied samples are shown to have mainly Type III kerogen with some contribution of mixed type II and III kerogens, although, the predominance of nC17/nC25 ratios in n-alkanes profiles suggests a high input of marine-derived OM. However, plotted values of Pr/nC17 vs. Ph/nC18 indicate that OM in these sediments was shown to have mixed marine/terrigenous sources as suggested by a wide range of C29 hopane/C30 hopane values. This is supported further by the predominance of C27 and C29 steranes in most samples. High Pr/Ph, C30diahopane ratios, low ratios of C35 to C34 homohopanes, and low quality OM suggest that these sediments were deposited in mixed oxic to sub-oxic conditions. Thermal maturity parameters including C29αββ/(αββ+ααα), C29ααα20S/(20S+20R) sterane ratios, C3222S/(22S+22R), Ts/(Ts+Tm) ratios, and C30-moretanes/C30-hopanes ratios, together with organic petrology and RE data support the early to intermediate maturity levels for the samples. Therefore, it is proposed that the Silurian Tanezzuft Formation „cool‟ shale has not generated, or will not generate, considerable amounts of hydrocarbons in the Murzuq Basin.

In the late 1970's, it was discovered that the brine waters of northwestern Oklahoma contain significant amounts of Iodine (above 60 ppm). However, the exact amounts and distributions of Iodine throughout this brine water formation were unknown. Currently, the majority of the

38 growing need for Iodine compounds in the medical and agricultural fields the demand for Iodine is higher than ever. One example of this is the development of a new environmentally safe biodegradable fumigant (methyl iodide) developed by Arysta LifeScience Technology, which is currently poised to replace the non-biodegradable methyl bromide based fumigants. Thus, Arysta LifeScience Technology has recruited the aid of Northwestern Oklahoma State University to quantify the Iodine concentration and distribution throughout the brine aquifer, as well as, determine the longevity of these iodine concentrations. Currently, this has resulted in the discovery of three new sites within the aquifer that contain concentrations above 300 ppm and show that the iodine levels are currently steady within about a 5 ppm fluctuation.

Metal transport resulting from potential CO2 leakage into freshwater aquifers is an important concern regarding carbon sequestration. Goethite (α-FeOOH) is one of the most abundant and reactive iron oxides in nature. Goethite plays an important role in controlling the mobility of heavy metals as well as certain anions as it possesses a strong affinity to a variety of contaminants in subsurface environments. Heavy metals such as Pb(II) and Cd(II) are common in surface water and groundwater and their transport, toxicity, and bioavailability are mostly impacted by interactions with water and oxide and (oxy)hydroxide surfaces. In this study, dissolution experiments on synthesized metal-substituted (Cd, Pb) goethite were performed with or in the absence of CO2 at different temperatures. This research provides data from small-scale, short-term tests involving direct release of CO2 in order to provide constraints on potential migration of metals under CO2 leaking carbon storage areas.

Naphthenic acids (NAs) are traditionally defined as acyclic or cyclic aliphatic monocarboxylic acids. They are resistant to degradation, toxic to organisms, and corrosive to equipment. Gas chromatography- mass spectrometry (GC/MS) is widely used to characterize NAs from oil process waters (OPWs). However, aromatic acids (AAs) and dicarboxylic acids (DAs) cannot be distinguished from traditional NAs solely using GC/MS due to their similar mass to charge ratios (m/z). Using standard compounds of traditional NAs, AAs, and DAs, linear free energy relationships (LFER) were developed with respect to the structure, carbon number (n), hydrogen deficiency (Z), and GC retention time. GC/MS with LEFR analysis of Columbian and Canadian OPW samples definitively identify AAs and DAs. Without LFER analysis, the AAs would have

39 been overlooked, and the DAs would be misinterpreted as multi-ring NAs. GC/MS, with LFER analysis, of AAs and DAs provides new insights into the environmental impact and fate of NAs.

ORGANIC

19P. FOLLOWING THE PHOTODEGRADATION OF TRICLOSAN TO A DIOXIN USING UV AND VISIBLE LIGHT. Kyle Hatcher and John Bowen*, Department of Chemistry, University of Central Oklahoma, Edmond, OK 73034

The antibacterial triclosan is known to rearrange to form various dioxins when exposed to light. In this study, 100 ppb solutions of triclosan in deionized water were exposed to fluorescent light and another solution to 254 nm UV light . The rearrangement reaction was followed using Solid Phase Microextraction (SPME) and Gas Chromatography Mass Spectroscopy.

20P. SYNTHESIS OF A DIPYRIDINIUM ION. Jared Dopp, Midwestern State University, Wichita Falls, TX 76308

The impact of DDT (dichlorodiphenyltrichloroethane) on the environment has become well understood since it was banned in 1972. DDT is extremely hard to eradicate from the environment, therefore new methods to combat this problem are desired. Research has indicated that synthetic porphyrins have been useful for degrading DDT. The purpose of this research is to synthesize a precursor that will create only one isomer of our desired porphyrin (1). To synthesize the precursor, the dipyridinium ion (2), 1,5-dibromopentane was mixed with an excess of 3,4-pyridinedicarboximide. Isolation and characterization of the desired compound will be discussed.

21P. X-RAY CRYSTAL STRUCTURES OF 5,5-DIETHYL- AND 5,5-DIMETHYL-2-PHENOXY- 1,3,2-DIOXAPHOSPHORINAN-2-ONE REVISITED. C. D. Bryan,1 R. Fehring,1 E. Ferroni,2 E. Garcia,2 B. Jones,1 C. Leslie,1 and S. Shrestha1 , 1Department of Physical Science, Cameron University, Lawton, Oklahoma 73505, 2Department of Chemistry and Department of Biochemistry &Molecular Biology, Benedictine University, Lisle, IL, 60532

X-ray crystal structures have been determined for two representative cyclic phosphates in pursuing structural clues as to the stereochemistry of the ring-opening reaction. The space group of the structure of C13H19PO4 is Pn with a=6.3941(15)Å, b=10.045(2)Å, c=10.686(2)Å, and β=97.503(7)°. Crystals of the dimethyl analog, C11H15PO4, were also of the Pn space group with a=6.3142(7)Å, b=9.1141(9)Å, c=10.5545(12)Å, and β=92.640(4)°. Because the P-O bonds within the phosphate ring have the same bond length (1.5580 ±0.0015Å) and (1.561 ±0.003Å), respectively, ring opening is not anticipated to be stereospecific. In addition, the C-O bonds within the phosphate ring are equivalent (1.459±.006Å) suggesting again a lack of stereospecificity.

PHYSICAL

Ionomers are polymers with a small fraction of ionic functional groups attached to the polymer backbone. Although it is widely known that neutralization of these ionic groups with metal ions changes the crystallization kinetics of the ionomer, the effects of neutralization level on fractional crystallinity remain largely unexplored. This study examines the crystallization behavior of ionomers of various neutralization levels over time. Using random copolymers of ethylene and methacrylic acid that have been neutralized at several different levels by zinc, differential scanning calorimetry measurements were done to monitor the crystallinity of samples that have been allowed to crystallize over different time periods. The results show that while the fractional crystallinity of highly neutralized material is significantly lower than that of the unneutralized material over a short time period, this difference in fractional crystallinity decreases over time. However, the fractional crystallinity of the highly neutralized samples never does reach the same level as samples with less neutralization. Hence, even though the uncrystallizable comonomer contents are identical for all samples, the fractional crystallinities are different.

In order to investigate water-solubility of various asphaltenes at elevated temperatures, a custom- designed apparatus was built. The major part of the apparatus is a high-pressure cell with windows for solubility determination by color. In specifics, a green laser and a photodiode were paired with the cell to measure the absorptivity of its containing liquid. Moreover, a pressure gauge served both to measure temperature and reveal major leaks. The apparatus needed to withstand increasing temperatures (up to 375 degrees F) over a period of eighteen (18) hours without leaking. The apparatus has been used to measure the solubility of 6 different asphaltenes into artificial seawater, brine and water. Overall, none of the materials showed significant solubility, with only one asphaltene showing any solubility whatsoever and only in artificial seawater.

In chemical flooding, surfactant is used to lower interfacial tension (IFT) between crude oil and water; thus oil recovery is enhanced. It is often used in a combination with polymer to increase oil sweep efficiency. Due to its relatively large size, and low temperature and low shear tolerances, polymer may be unsuitable in some reservoir. Instead of polymer, this study focused on a viscous solution resulted from Winsor Type I microemulsion system. The solution will serve in dual purposes of mobilizing and sweeping the oil. Surfactants were formulated to be in Winsor Type I region. Column tests were performed to compare results of polymer, Type I microemulsion, Type III microemulsion, and combinations of polymer and microemulsion. Type I microemulsion recovered 14.8% of residual oil at room temperature, while 6.8% and 4% of residual oil was recovered when Type III microemulsion and 500 ppm polymer solution was used, respectively.

25P. IMPARTING FLAME RETARDENCY PROPERTY TO KNIT COTTON FABRIC USING ADMICELLAR POLYMERIZATION. Saroj Kumar, Srinivas Hanumansetty and Edgar A. O‘Rear School of Chemical, Biological and Materials Engineering and Institute of Applied Surfactant Research, University of Oklahoma, Norman, OK 73019

In this study, phosphorous-based methacrylate ester was polymerized on cotton fabric by admicellar polymerization to make it flame retardant. The resulting film of polymerized phosphorous monomer formed on the cotton surface was characterized by FTIR-ATR spectroscopy and SEM. Thermal and flame retardant properties of phosphorus-coated cotton were investigated by TGA and flammability tests. TGA and DSC analyses showed that the phosphorus-containing monomer lowered the decomposition temperature of the treated fabric resulting in a higher char yield than in the case of untreated cotton. Flammability tests showed that the modified cotton had much improved flame retardant property after the treatment.

The adsorption of surfactants and adsolubilization of organic compounds on knit cotton fabric are fundamentally important in admicellar polymerization to impart characteristics like water repellency, stain repellency and flame retardancy. The main objective of this research is to study adsorption and adsolubilization of flurorsurfactants and fluormonomers used to obtain water repellency characteristics. Adsorption of non-ionic (fluoroaliphatic amine oxide) and cationic (fluoroaliphatic quaternary ammonium surfactant) flurorsurfactants at the interface of cotton are studied experimentally. Change in supernatant concentrations of fluoromonomers (fluoromethacrylate esters) was used to determine adsolubilization. Adsorption of both

42 fluorosurfactants did not change significantly in presence of fluoromonomers. Two-site adsolubilization model was used to predict the aggregation number of fluorosurfactants.

Polyethylene glycol (PEG)/dextran acetate (DA) microspheres for protein delivery were developed to be used in conjunction with rapid release PEG microspheres. Rapid release of a plasminogen activator or a “clot busting drug” can salvage tissue while extended half-life in circulation reduces reocclusion episodes. DAs were synthesized with various degrees of substitution (DS) by the reaction of dextran with acetic anhydride, and then utilized to prepare PEG/DAs microspheres. The results showed that particle size, encapsulation efficiency, and release rate of PEG/DAs microspheres depended on the DS of DA. Increasing the DS of DA resulted in the increase of particle size, encapsulation efficiency and a slower release rate of protein from PEG/DAs microspheres. Based on these data, the mixtures of PEG and PEG/DA3 microspheres can be considered as a promising candidate to prevent the reocclusion after thrombolysis, in conjunction with addressing the initial event.

28P. OBSERVING THE EFFECTS OF TEMPERATURE AND SURFACE ROUGHNESS ON CETYLTRIMETHYLAMMONIUM BROMIDE (CTAB) ADSORPTION USING QUARTZ- CRYSTAL MICROBALANCE WITH DISSIPATION. Xiangmei Wang, Brian Grady and Joshua Hamon Sarkeys Energy Center, University of Oklahoma, Norman, OK, 73019

The effects of changing temperature and roughness on adsorption were studied. Adsorption isotherms at 20, 30, 40 and 47°C and at two different roughnesses on gold were measured using the surfactant cetyltrimethylammonium bromide (CTAB). Adsorbed mass and viscoelasticity were monitored using quart crystal microbalance with dissipation (QCM-D). All isotherms displayed an increase in mass and dissipation as surfactant concentration was increased to its CMC where they reached a peak followed by a slight decrease to a plateau. As the temperature was increased the same trend seen with increasing concentration were found, but both mass and dissipation amounts were decreased. These amounts were decreased further by increasing substrate roughness. The absence of a significant increase in dissipation and mass at the CMC reported for isotherms previously measured by our group was noted. The reason for this absence is thought to be the removal of dissolved oxygen and other impurities in the surfactant solution by the use of an ultrasonic degassing performed prior to contact with the substrate surface.

Commercial SPME fibers offer several stationary phases coating the plastic fiber base, including Polyacrylate (PA) that is optimized for polar organic compounds in aqueous solutions, or polydimethyldiloxane (PDMA) optimized for volatiles. However, the stationary phase has a limited lifetime on the base fiber and will flake off after repeated conditioning periods where the fiber is exposed to heat in an effort to desorb analytes from a previous experiment. This study explores the use of carbon black (CB) as a stationary phase that is applied to a fiber that has lost its original stationary phase. The CB fiber was tested against polar organics, non-polar organics and volatiles in the mid parts per billion concentration range.

30P. SURFACTANT FORMULATIONS FOR CARBONATE FORMATIONS AND IMPACT WITH ADDITIVES. Jian Zhao, University of Oklahoma, Norman, OK

The surfactant formulations with cationic surfactant are explored for possible enhancing crude oil recovery for the challenging carbonate formations. We introduce additives (e.g., hydrophilic linkers) to boost the performance of cationic surfactant formulations. Laboratory phase behavior, precipitation studies and monitoring the coalescence time of O/W emulsions are conducted to screen the optimum formulations. Formations of middle – phase micro-emulsions and no adverse precipitations/ phase separation are realized. Ultra-low interfacial tension values are confirmed in the target salinity range to finalize the system optimization. Adsorption isotherms show there is less surfactant loss with the cationic surfactant onto the media. One-dimensional column test is used to simulate the chemical flooding to evaluate the selected formulations. Based on these results, adding the linkers in the cationic surfactant formulations can markedly decrease the coalescence time while still maintaining the ultra-low interfacial tension. It has potential applications for EOR.

The pharmaceutically interesting ethyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5- carboxylate (etpPC) molecule dimerizes in solution. The CHCl3,CH2Cl2, and DMSO solution FTIR of the 1800–1500 cm-1 region of dimethyl urea and etpPC (DMSO only) was collected at various concentrations. These were compared to the ab initio calculated and predicted vibrational spectra of dimethyl urea monomers and h-bonded dimers using a SQM scaled PCM solvated ab initio Hamiltonian with a 6-31g(d)/B3-LYP density functional basis set. The calculated spectra correctly predicts the appearance of three new carbonyl influenced IR bands that arise from the formation of an eight sided ring between the monomer units in the urea dimer formed by the imide NH in the two monomers, h-bonding to the respective carbonyl of the other monomer. The etpPC dimer experimental spectra reveal similar behavior but with dimer bands shifted significantly, so that further calculations on a larger model compound, or the etpPC dimer itself, at lower theoretical levels may be required.

An accurate computationally efficient method to predict vibrational frequencies for medium sized molecules is the SQM method of scale factors developed by Peter Pulay and workers. The WinGamess calculated force constant matrix is multiplied by a set of predetermined scale factors based on the internal coordinates of the molecule. FCART06, a software package to generate predicted IR and Raman spectra, is used least square refine a set of Pulay scale factors to predict the experimental vibrational frequencies of model molecules at the 6-311G/B3-LYP ab initio/density functional level. We will report the Pulay SQM scale factors found at this level of theory and how well the vibrational frequencies of the test suite of molecules is predicted.

33P. METALLOCENE-CATALYZED ETHYLENE POLYMERIZATION. SUBSTITUENT AND SOLVENT EFFECTS. Emvia Calixte and P. K. Das, Physical Sciences Department, Cameron University, Lawton, OK 73505

+ + With [CpCH2Cp]ZrR and Cp2ZrR as the active catalyst species, we have computed by DFT/B3LYP methodology thermochemical data ( including activation barriers) for chain propagation and chain termination of ethylene polymerization mediated by zirconocene-type catalysts. This paper will address the effects of substituents, such as F, CH3, and CN, on the energetics and discuss the relative importance of the three modes of chain termination, namely, - -H transfer to metal center, and hydrogenolysis. In addition, data will be presented on the effect of cyclohexane as a solvent on specific reaction steps.

34P. A STEADY-STATE STUDY OF PHENOLS AS QUENCHERS OF CYANOAROAMTICS SINGLET EXCITED STATES. P. K. Das, Physical Sciences Department, Cameron University, Lawton, OK 73505.

With a series of substituted phenols as electron-rich donors, we have studied them as quenchers for steady-state fluorescence of 9,10-dicyanoanthracene (DCA) in acetonitrile at room temperature. Except for phenols with strong electron-withdrawing substituents (e.g., CN), the quenching rate constants for DCA are found to be in the limit of diffusion control. However, the rates constants are consistently smaller than those for 1,4-dicyanonaphthalene (DCN) under the same conditions. The difference between the two cyanoaromatics is particularly pronounced with phenols bearing electron-withdrawing substituents.

ANALYTICAL 35P.

OPTIMIZATION OF A SPME-GCMS TRICLOSAN ANALYSIS FOR ADSORPTION TIME. William Freniere and John Bowen*, Department of Chemistry, University of Central Oklahoma, Edmond, OK 73034

Solid Phase Microextraction (SPME) consists of two phases, the concentration phase consisting of adsorption of the analyte onto the SPME fiber, followed by desorption of the analyte from the fiber into the injection port of the GCMS. This study is meant to determine the minimum adsorption time compatable with low parts per billion and sub parts per billion analysis of the bacteriacide triclosan in natural waters. The adsorption time was considered optimized when the area under the triclosan curve on the total ion current chromatogram was 50 times the Limits of Quantitation (LOQ).

36P. COUPLING SDS-CGE WITH MALDI-TOP VIA MEMBRANE COLLECTOR. Joann J. Lu, Zaifang Zhu, Wei, Wang, and Shaorong Liu, Chemistry and Biochemistry Department, University of Oklahoma, Norman, OK

SDS-PAGE is a fundamental analytical technique for proteomic research. SDS-capillary gel electrophoresis (CGE) is its miniaturized version, which has many advantages such as increased separation efficiency, reduced separation time, and automated operation. MALDI-TOF-MS is an outstanding platform for protein identifications. Coupling the two would have great application potentials, but is extremely challenging because the MS detector has no access to the SDS-CGE- resolved proteins and the SDS molecules bound on proteins and exist in CGE matrix greatly interferes the MS detection. In this work we introduce an approach to address these issues. We discover that poly(tetrafluoroethylene) (PTFE) membranes are excellent materials for collecting SDS-CGE-separated proteins. We demonstrate that we can wash off the SDS bound to the collected proteins and identify these proteins on-membrane with MALDI-TOF-MS. We also show that we can immunoblot and Coomassie-stain the proteins collected on these membranes.

Compound-specific isotope analysis (CSIA) of biomarkers in oils using GC/C/IRMS has hampered by low concentrations and poor resolution of biomarkers on the GC. Co-elution, low concentration and significant background interference can cause large shifts in δ13C values. For this reason, chemical separation and enrichment are indispensable. Gel permeation chromatography (GPC) was used to concentrate steranes and triterpanes in 33 oil samples from Mexico. The GPC successfully permitted isolation and concentration of target biomarkers. Steroids and triterpenoids were separated on the basis of molecular size. Size-exclusion techniques, including GPC, showed no measurable isotope fractionation (Inaba and Suzuki, 2003). The GPC satisfied the three requirements: isolation of the target compounds, applicable to a high range of samples, and absence of any isotopic fractionation. δ13C data for steranes and triterpanes concentrated in this manner will be reported.

38P. DEVELOPING A HIGH-PRESSURE OPEN-CAPILLARY ELECTROOSMOTIC PUMP FOR HPLC. Chiyang He, Zaifang Zhu, Gu Congying, Joan J. Lu, Zhijian Jia, and Shaorong, Liu University of Oklahoma, Norman, OK, 73019

To implement HPLC on a lab-on-chip (LOC) device, we need a reliable micropump capable of generating an adequate pressure to drive HPLC separations. Open-capillary electroosmotic pumps (EOPs) are promising candidates for the above applications. The only issue for these pumps is their limited pumping power. So far, open-capillary EOPs have rarely produced pressures of more than 0.7 MPa – too low to drive most of the HPLC separations. Here, we develop a novel open-capillary EOP to solve this problem. The basic unit of this pump consists of a +EOP and a -EOP, and its inlet and outlet are at the same electric potential. This configuration enables us to stack many of these basic pump units in series to boost pumping power. Here we describe how to construct this pump and characterize its performances. We demonstrate the feasibility of using this pump for HPLC separations of peptides.

39P. EFFECT OF SILICA ON THE STRUCTURE OF CETYLTYIMETHYLAMMONIUM BROMIDE. Tan Zhang, Gu Xu, and Frank D. Blum, Department of Chemistry, Oklahoma State University, Stillwater, OK 74078

Temperature modulated differential scanning calorimetry (MDSC), thermogravimetric analysis (TGA), Fourier transform infrared spectroscopy (FTIR) and powder XRD were used to probe the structure of cetyltrimethylamonium bromide (CTAB) in the presence of fumed silica nanoparticles. It is found that three types of CTAB molecules were present in the adsorbed samples, which we interpret as due to monolayer, bilayer and multilayer structures. The silica surface is found to affect both melting and crystallization of the tails of CTAB. Higher decomposition temperatures were also observed in the surface structures. The enthalpy change for CTAB during the melting and crystallization indicates that the CTAB undergoes a significant structural transition from a surface dominated structure to a bulk with increased adsorbed amount on surface. Powder XRD shows that the surface structures are more likely amorphous, but also maintain some monoclinic order.

40P. THERMAL ANALYSIS OF ADSORBED POLY(VINYL ACETATE) ON SILICA. Shadi Alizadeh and Frank D. Blum, Department of Chemistry, Oklahoma State University, Stillwater, OK 74078

The thermal behavior of adsorbed poly(vinyl acetate) (PVAc) on silica was determined using temperature-modulated differential scanning calorimetry (TMDSC). A two-component model, based on loosely-bound polymer (glass transition temperature, Tg, similar to that of bulk) and tightly-bound polymer (Tg higher than bulk) was used to interpret the thermograms. PVAc samples with different molecular masses (100, 170 and 260 kDa) were studied. These polymers all had similar amounts of tightly bound PVAc. The ratios of the heat capacity changes in the

47 glass transition region was consistent with the tightly-bound PVAc in a more restricted environment than the bulk polymer.

Adsorbed poly(ethylene-stat-vinyl acetate) on fumed silica was studied using modulated differential scanning calorimetry (MDSC) and FTIR. MDSC analysis of the polymer-silica composites revealed that behavior of the polymer composites in the glass transition region was complicated because of the compositional drift and crystallinity of the polymer. Examination of the glass transition region for different adsorbed amounts of the polymer indicated that there was an increase in the glass transition temperature of the adsorbed polymer compared to bulk. The interaction of carbonyl groups in vinyl acetate with surface hydroxyl groups on silica caused a shift in carbonyl stretching frequency for bound carbonyls. The analysis of the resonance intensities of the bound and free carbonyl resonances for the composites with same adsorbed amounts, but different vinyl acetate percentages in the polymer, revealed that the fraction of bound carbonyls increased with decreased vinyl acetate percentage.

Drinking water sources contaminated with arsenic compounds are a common heath concern worldwide. Arsenic is ranked the second most common inorganic contaminant at U.S. superfund sites. The solubility, mobility, bioavailability, and toxicity are dependent on arsenic oxidation state. Thus, studies of arsenic speciation and transformation among species are essential to understanding arsenic behavior in groundwater and the subsurface environment. For this study, Raman spectroscopic measurements were performed on 0.1 M arsenic aqueous solutions at room temperature. All solution preparation and manipulation was conducted in a nitrogen-filled glove box. Raman analysis of As solutions over wide range of pH (4.5-10.5) conditions provides characteristic spectra for the protonation of As(V) and As(III) species. We also compared Raman spectroscopic data of CO2 purged arsenic solutions to evaluate CO2 leakage on geologic carbon sequestration sites.

This study utilized fibers and biomaterial for contamination of coated aluminum surfaces to monitor the correlation between TOW and the rate of corrosion. The coatings were formulated using a commercially available 2K epoxy coating combined with fluorescent tracers Rhodamine- B and Fluorescein. Moly-white® was also incorporated into the coating formulation in 48 of the 96 panels to provide corrosion inhibition properties. The panels were investigated under four relative humidity (RH) conditions: 33%, 52%, 75%, and 86%. Fluorescence spectroscopy was used to measure changes in the coatings on the basis that the fluorescent intensity correlates to the moisture content. The general trend observed for plots of fluorescent intensity as a function of time revealed a slight decrease in the fluorescent intensity of the coatings. The fluorescent intensity in coating formulations containing Moly-white® decreased to a lesser extent than the control.

The catalytic oxidation of carbon monoxide to carbon dioxide is an important process used in several areas such as respiratory protection, industrial air purification, automotive emissions control, CO clean-up of flue gases and fuel cells. Research in this area has mainly focused on the improvement of catalytic activity at low temperatures. Here in this study, low temperature CO adsorption phenomena was focused on Ga-In-doped TiO2 nanomaterial using a specially designed infrared cell. Upon adsorption, CO was photooxidized using broadband UV light. The effect of photooxidation is compared with dark oxidation in order to understand the effect of the photocatalyst.

INORGANIC 45P. SYNTHESIS, CHARACTERIZATION, ELECTROCHEMISTRY, AND SPECTRO- ELECTROCHEMISTRY OF RUTHENIUM PORPHYRIN NITROSYL ALKOXIDE COMPLEXES. Adam J. Warhausen, Douglas R. Powell, and George B. Richter-Addo, Department of Chemistry, University of Oklahoma, Norman, OK 73019

Destruction of hydrogen peroxide in cells is an important role that is carried out by the enzyme catalase. The active site of the enzyme contains a heme-alkoxide functionality of the form (por)Fe(OR), where the tyrosinate proximal ligand is stabilized by a hydrogen bonding network. Nitric oxide (NO) has been suggested to inhibit the enzyme. We have prepared a new set of NO- bound ruthenium porphyrins containing alkoxide ligands, some of which bear an aryloxide group displaying internal hydrogen bonding. Our results on the preparation, spectral characterization, electrochemistry, spectroelectrochemistry, and single-crystal crystallography on representative (por)Ru(NO)(OR) complexes will be presented and discussed.

46P.

SYNTHESIS, CHARACTERIZATION, AND INFRARED SPECTROELECTROCHEMISTRY OF ORGANOMETALLIC NITROSYL PORPHYRINS. Nan Xu, Douglas R. Powell, and George B. Richter-Addo, Department of Chemistry and Biochemistry, University of Oklahoma, Norman, OK 73019

The recent interest in the studies of organometallic porphyrins is largely due to the crucial roles that metal-carbon bonds play in the natural. For example, Fe-carbon bonds form when heme- containing biomolecules such as hemoglobin and myoglobin metabolize organic hydrazines. Here, we report the preparation and characterization of nitrosyl alkyl complexes of ruthenium porphyrins of general formula (por)Ru(NO)R. The X-ray structure of (T(p-OMe)PP)Ru(NO)(Et) has been obtained. The redox behavior of these complexes have been investigated by electrochemistry and the redox products are identified by IR spectroelectrochemistry. Furthermore, the nitrosyl group shows a strong trans effect on the ruthenium-carbon bond. For example, we find that sulfur dioxide readily inserts into the Ru-C bonds to give the sulfinato derivatives in moderate to high yields.

47P. STABLE RUTHENIUM ANALOGUES OF NITROSYL HEME TYROSINATES; PREPARATION AND REDOX BEHAVIOR. Dennis Awasabisah, Nan Xu, Krishna P. Gautham, Douglas P. Powell, Michael J. Shaw, and George B. Richter-Addo, Department of Chemistry and Biochemistry, University of Oklahoma, Norman, OK 73019

The six coordinate O-bound ruthenium nitrosyl porphyrin compounds, (T(p- OMe)PP)Ru(NO)(OC6HF4) and (T(p-OMe)PP)Ru(NO)(O(C=O)CF3) (T(p-OMe)PP = 5, 10, 15, 20-tetra(p-methoxyphenyl)porphinato dianion) have been prepared from the reactions of (T(p-OMe)PP)Ru(NO)(O-i-C5H11) with 2,3,5,6-tetrafluorophenol and tetrafluoroacetic acid respectively. These compounds can serve as models for cytochrome P-450 and the enzyme catalase,. The compounds were characterized by IR spectroscopy, NMR spectroscopy, and X-ray crystallography. X-ray crystallography studies of these compounds reveal nearly linear Ru−N−O bond angles. The compounds are moderately stable in air at room temperature as solids. Cyclic voltammetry of the compounds show that they each undergo a reversible first oxidation and a partially reversible reduction in dichloromethane. Infrared spectroelectrochemistry of the compounds infer porphyrin-centered first oxidation and loss of both axial ligands after reduction.

The production of chemicals and fuels from renewable biomass resources is being sought as non- renewable fossil feedstocks dwindle and their costs increase. Prior studies demonstrated that soluble oxo-rhenium compounds can catalyze the deoxydehydration (DODH) of glycols to alkenes. We have discovered the first material capable of heterogeneous catalytic DODH.

Research in our laboratories, using model carbohydrate reactants such as tetradecanediol, has shown that a catalyst of ammonium perrhenate supported on activated carbon, in a hydrogen atmosphere, can produce high yields of alkenes. The results of initial optimization studies, the effects of operating parameters, and catalyst leaching and lifetime studies will be reported.

We have employed metal carbonyl cations as a catalyst and neutral metal carbonyls as a co- catalyst to convert diols to alkenes. As a part of screening a catalytic amount of metal carbonyl cation [CpFe(CO)2]+ was used to convert 1-phenyldiol under CO (50 psi) to styrene. Major product obtained from this reaction at 1500C appears to be styrene oxide with no apparent formation of styrene. As the temperature was raised to 2000C, a low percentage (10%) of styrene was observed. By adding a co-catalyst [CpFe(CO)2]2 the efficiency of this conversion to alkenes is increased by 5-6 fold. A possible mechanism of this conversion process while being suggested a detailed mechanistic study of this process is waiting for further study

50P. LOW-TEMPERATURE APPROACH FOR THE SYNTHESIS OF LEAD VANADATE. Ahmed M. Moneeb and Allen W. Apblett, Department of Chemistry, Oklahoma State University, Stillwater, OK 74075

Metal oxides are an important class of materials due to their wide range of applications. Nanoscale oxides have attracted great attention because of their interesting physical and chemical properties. Suspensions of lead metavanadate PbV2O6 nanoparticles were prepared at room temperature by the reaction of dilute aqueous solution of V2O5 with dilute aqueous solution of Pb(NO3)2. Particle size measurements using Nanoparticle Tracking Analysis (NTA) showed that the particles in the stable suspension are in the nanometric size range. The elemental analysis by Energy Dispersive Spectroscopy (EDS) indicated the presence of lead and vanadium metals in the crystalline nanostructure of the prepared ternary oxide. Transmission Electron Microscopy images of the product have shown that the nanocrystalline particles of lead vanadate are inserted into nanowire that has a diameter 2-3 times of the lead vanadate. The prepared materials were also characterized by spectroscopic techniques.

A series of reactions between tetra-n-butyl ammonium octahalodirhenate and 1,4,8,11- Tetraazacyclotetradecane (Cyclam) were screened in order to determine the optimal conditions for the addition of Cyclam without cleavage of the dirhenium unit. Both the Octachlorodirhenate and the Octabromodirhenate tend to react with Cyclam to make complexes of limited solubility. Characterization of the products with Nuclear Magnetic Resonance and electrospray Mass Spectroscopy indicate Cylam bonded to dimeric rhenium species. The reactions were carried out in a variety of solvents, at a variety of temperatures, and in the presence or absence of Potassium hexafluorophosphate. The most promising results were obtained from refluxing Dichloromethane in the presence of KPF6.

52P. PHOSPHATE REMEDIATION USING IRON OXYHYDROXIDE IN AQUEOUS SYSTEMS. Travis Reed and Allen W. Apblett, Department of Chemistry, Oklahoma State University, Stillwater, OK 74075

Phosphate is normally the limiting reagent for eutrification of natural waters so that entry of phosphate into waters from sewage or agriculture run-off can have a strong negative influence on water quality. Due to this the remediation of phosphate from waste water from commercial uses is of great concern. Furthermore, phosphate is a natural resource that would ideally be captured and used as a fertilizer. High surface area nanocrystalline iron oxyhydroxide is easily synthesized from the calcination of iron pyruvate acid oxime at low temperature. This precursor is designed to decompose at relatively low temperature to small volatile fragments (acetonitrile, carbon dioxide, and water) while depositing reactive metal oxides. In this study the uptake of aqueous phosphates by the iron oxyhydroxide thus produced will be discussed.

53P. ORGANOALUMINUM CRYSTAL STRUCTURES. Tomasz Klis, Lukasz Wojtas, Rudolf J. Wehmschulte, and Douglas R. Powell, Department of Chemistry, University of Oklahoma, Norman, OK 73019-5251

Cationic organoaluminum compounds were first reported in 1987 with the synthesis of [AlMe2(18-crown-6)]+, [AlMe2(15-crown-5)]+,1 and [Al{2-Me3Si)2C}C5H4N]+. The first practical application of these types of compounds was demonstrated by Bochmann and Dawson who showed that [AlCp2]+ can serve as an initiator for the polymerization of isobutene. Two recent applied examples involve the hydrodefluorination of nonactivated C-F bonds with the simple dialkylaluminum cations [R2Al]+ (R = Et, iBu).4,5 The coordinative unsaturation of the cationic aluminum centers in these compounds is crucial for the catalytic activity and the high level of Lewis acidity. This catalytic activity can be achieved by separation of cation and anion and the avoidance of donor solvents.

EDUCATION 54P. NANOEXPLORERS: A HIGH SCHOOL SUMMER SCIENCE ACADEMY REPORT ON CHEMISTRY ACTIVITIES. Rayjon Brown, Adam Coffey, Preston Farmer, Dalton Hallum, Ryan Orland, Joshua Rancourt, Chioma Ikedionwu, Stephanie Diamond, Amanda Hulen,

Katie Le, Madi Mayer, Kaitlyn Stevens, E. Ann Nalley and Ramiro Moro, Cameron University, Lawton, OK 73505

The Department of Physical Sciences at Cameron University hosted a high school summer science academy known as, “NanoExplorers: A High School Summer Science Academy,” during the summer of 2011. The academy was a ten day residential academy where students lived at Cameron for the two week period. There were 24 high school students who participated in the program. The academy introduced students to those concepts necessary to understand why very small systems exhibit unique behavior. Activities were divided evenly between chemistry and physics activities and concepts. This poster will summarize the chemistry activities.

56P. INSPIRING CHEMICAL EDUCATION FROM A CCPA PERSPECTIVE. Donna J. Nelson and E. Ann Nalley, Department of Chemistry and Biochemistry, University of Oklahoma, Norman, OK and Department of Physical Sciences, Cameron University, Lawton, OK.

Recent activities, goals, and programs of CCPA (Committee on Chemistry and Public Affairs), which are known to or are designed to inspire Chemical Education innovation will be presented.

57P. PREVENTING ACADEMIC DISHONESTY IN ONLINE HOMEWORK. Donna Nelson, Bryan Chen, Antoinette Davis, Kellie Hickey, and Thinh Nguyen, Department of Chemistry and Biochemistry, University of Oklahoma, Norman, OK 73019

This poster deals with points concerning academic dishonesty in online homework, such as the significance of the rise of new methods of academic dishonesty. A specific example of academic misconduct on online homework from a recent Fall 2011 Organic Chemistry course is given. Weaknesses of online homework programs are discussed as well as methods of detecting

53 academic misconduct online. Simple policy solutions for closing loopholes and selecting stronger online homework programs are provided.

This poster provides information on the five sections of the American Chemical Society located in or partially in Oklahoma and their annual ACS Pentasectional Meeting. A map of Oklahoma graphically displays which counties in the state correspond to each of the five ACS sections. Officer positions for each section as well as their contact information are provided as well. In addition to information about each individual section, a history of the Oklahoma's Annual Pentasectional Meeting is given as well.

Lack of agreement in the contect of concepts presented in undergraduate organic chemistry textbooks was observed during organic chemsitry class lecture preparation. This poster will analyze and compare the topics of cyclehexane conformers, carbonyl reactions, and substitution and elimination across all current comprehensive undergraduate organic chemistry textbooks. Our results revealed that no particular textbook excelled in the topics studied. It is recommended that a consistent convention be utilized for each topic to prevent confusion should students cross- reference textbooks.

60P. NATIONAL ANALYSIS OF DIVERSITY IN SCIENCE AND ENGINEERING FACULTIES AT RESEARCH UNIVERSITIES. Donna J. Nelson, Antoinette Davis, Kellie Hickey, and Linfan Jin Department of Chemistry and Biochemistry, University of Oklahoma, Norman, OK, 73019

Demographics of faculty in 15 science and engineering disciplines at top 50 and at top 100 departments at research universities, as ranked by the National Science Foundation, are presented. Preliminary results from an ongoing survey are compared against analogous surveys conducted during FY2002 and during FY2005. Data in bar graphs compare the representation of faculty disaggregated by race (White, Black, Asian, Hispanic, and Native American), by gender, by rank, and by discipline for FY2002 versus FY2012. Tablulated data reveal the representation of faculty in the top 100 departments from the FY2005 versus the FY2012.

61P. ENGAGING ELEMENTARY SCHOOL STUDENTS IN SCIENCE THROUGH SERVICE LEARNING. Lois A Ablin and Gary L Ritzhaupt

Department of Biology and Chemistry, Oral Roberts University, Tulsa, OK 74171

For several years chemistry and biology students at Oral Roberts University have been performing hands-on science experiments and demonstrations in various elementary schools in the Tulsa community. The targeted schools have been in lower income neighborhoods with a large percentage of minority groups. The project components and corresponding experiments will be presented. Positive feedback has been received from principals, teachers, and students.

The ACS Science Coaches program is intended to inspire high school students into entering chemistry as a career. Dr. Nelson and undergraduates from her Organic Chemistry class applied for and won one of 75 Science Coaches grants given nationally. We used this ACS Science Coaches program to coach chemistry students at Norman High School (NHS) during Fall 2011. In order to initiate the program, we met with NHS to discuss our role in their classrooms The ACS Science Coaches program provided $500 for our activities supporting the NHS teachers. NHS teachers responded to the program, as an overall improvement of the productivity in the classroom. With the $500 award, the Chemistry department acquired three new printers, which helped increase productivity. The science coaches program created by ACS made a significant contribution to the chemistry Department of Norman High School.

Acknowledgements

Thanks to the support of: Cengage Learning (Breakfast and refreshments) Pearson Education(Breakfast and refreshments) Cameron University Department of Physical Sciences Cameron University Wichita Falls-Duncan ACS Section Halliburton Duncan Technology Center (not confirmed) Cameron University ACS Student Affiliates Cameron University Chemistry Club Cameron University Office of Dean of Science and Technology

Sylvia Cleary Seth Geiger Godsfavour Umoru JeanMarie Charles Levi Pettijohn Erin France Emvia Calixte Kristen Worthen