UTSA Department of Chemistry Faculty Grant Merrill


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	Grant N. Merrill Assistant Professor: 2004-Present, Department of Chemistry, University of Texas at San Antonio, TX Senior Scientist: 2000-2003, Covalent Partners, LLC, Burlingame, CA Assistant Professor: 1998-2000, Department of Chemistry, University of Missouri at Rolla, Rolla, MO Postdoctoral research associate: 1996-1998, Iowa State University Ph.D., Chemistry: 1996, University of Minnesota, Twin Cities B.A., Anthropology: 1986, University of California, Los Angeles Research Interests Heterogeneous Catalysis: The development of hydrogen storage devices has been hampered by a trial-and-error approach to the problem. In collaboration with experimental material scientists, we are fostering a rational design strategy that is predicated upon first-principle and semi-empirical calculations. By developing a molecular mechanistic understanding of the processes of physisorption and chemisorption, these computational studies aid in the selection of novel materials. Biomolecular Structure-Activity Relationships: The kinetics of most chemical reactions in biological systems are exceedingly slow. To overcome these barriers, polypeptide structures known as enzymes have evolved. We are interesting in using modeling methods to abstract to essential aspects enzymes that confer catalytic activity. Specifically, we are designing artificial metalloenzymes that may be incorporated in polypeptides. These proposed compounds then serve as synthetic targets for our experimental collaborators. From the detailed mechanistic understanding we gain from these studies, novel therapeutic approaches to metabolic disorders can be developed. Courses Taught CHE 2604 Organic Chemistry I CHE 2623 Organic Chemistry II CHE 3804 Physical Chemistry I CHE 3824 Physical Chemistry II CHE 7833 Quantum Chemistry Positions Available I am always looking for motivated scientists with whom to collaborate. If you are an undergraduate or graduate student and are interested in the above areas of research, please feel to contact me. Opportunities for financial support are available on a competitive basis. Merrill Group 2008 (left to right) Mr. Michael Miller, Mr. Emanuel Silva, Dr. Grant Merrill, Mr. Jacob Cavazos, Ms. Elizabeth Trimble
Selected Publications
21. Miller, M. A.; Merrill, G. N. "The Role of Low-Frequency Plasmons in Molecular Adsorption: A Theoretical and Spectroscopic Studies of Gold and Titanium Compounds", J. Phys. Chem. C 2008, 112, 6939-6946. 20. Merrill, G. N.; Fletcher, G. D. "A Microsolvation Approach to the Prediction of the Relative Enthalpies and Free Energies of Hydration for Ammonium Ions", Theo. Chem. Accts. 2008, 120, 5-22. 19. Merrill, G.N.; Fletcher, G.D. "The Prediction of Gas-Phase and Aqueous Basicities for Alkyl Amines", J. Mol. Struct.: THEOCHEM 2008, 849, 84 - 97. 18. Shields, E. S.; Merrill, G. N. "A Computational Study into the Reactivity of Epichlorohydrin and Epibromohydrin under Acidic Conditions in the Gas Phase and Aqueous Solution", J. Phys. Org. Chem. 2007, 20, 1058-1071. 17. Ding, Y.; Mora, M. F.; Merrill, G. N.; Garcia, C. D. "The Effects of Alkyl Sulfates on the Analysis of Phenolic Compounds by Microchip Capillary Electrophoresis with Pulsed Amperometric Detection", The Analyst, 2007, 132, 997-1004. 16. Bach, S. B. H; Green, C. E.; Nagore, L. I.; Sepeda, T. G.; Merrill, G. N., "Complexes of Dichloro(ethylenediamine)palladium(II) Observed from Aqueous Solutions by Electrospray Mass Spectrometry", J. Am. Soc. Mass Spectrom. 2007, 18, 669-777. 15. Merrill, G. N. "A Computational Study into the Reactivity of Epichlorohydrin and Epibromohydrin under Basic Conditions in the Gas Phase and Solution", J. Phys. Org. Chem. 2007, 20, 19-29. 14. Bach, S. B. H; Sepeda, T. G.; Merrill, G. N.; Walmsley, J. A., "Complexes of Dibromo(ethylenediamine)palladium(II) Observed from Aqueous Solutions by Electrospray Mass Spectrometry", J. Am. Soc. Mass Spectrom. 2005, 16, 1461-1469.