DR. Andrzej Wierzbicki
Andrzej Wierzbicki, Ph.D.
M.S., A. Mickiewicz University, 1979 Poznan, Poland
Ph.D. A. Mickiewicz University, 1982 Poznan, Poland
Postdoctoral Research: University of Florida, Emory University, Georgia State University, University of Alberta, Dalhousie University
University of South Alabama: 1993-present
Our primary scientific interests are focused on various aspects of structural chemistry. These in particular involve development of new quantum chemistry models to analyze infrared and microwave spectra of molecules performing large amplitude motions and theoretical and experimental studies in atomic and molecular spectroscopy. We utilize ab initio and Density Functional Theory approaches for determination of electronic, structural, and vibrational characteristics of organic, inorganic and organometallic compounds. Our scientific interests also include the application of quantum chemistry and molecular mechanics/dynamics to large macromolecular systems. In particular we are interested in structural aspects of enzyme inhibition.
Independently we are pursuing research in the area of surface science chemistry. Using both theoretical and experimental approaches, we are investigating structural and energetic aspects of adsorbate/surface interactions. On the theoretical side of this project, we are developing and applying new quantum chemistry models for the description of adsorption/desorption of atoms, small molecules, and macromolecules on crystal surfaces. We are using various experimental techniques, including crystal growth, polarized light microscopy and cryomicroscopy, scanning electron microscopy, single crystal x-ray crystallography and atomic force microscopy, to elucidate the adsorbate-crystal interactions that lead to control over crystal growth. These adsorbate-crystal interaction investigations involve, in particular, interactions between antifreeze proteins and ice crystals, polypeptide interactions with inorganic surfaces, design of inhibitors of kidney stones and inhibitors of arthritic degenerative calcification of joints in humans. Our interest in materials science also involves biomimetics and properties of magnetic materials with the emphasis on magnetic thin films
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C.S. Sikes. A.P, Wheeler, A. Wierzbicki, A.S. Mount and R.M.Dillaman, Nucleation and Growth of Calcite on Native versus Pyrolized Oyster Shell Folia. The Biological Bulletin. 198, 50-66 (2000).
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J.D. Madura, K. Baran and A. Wierzbicki. Molecular Recognition and Binding of Thermal Hysteresis Proteins to Ice. Journal of Molecular Recognition. 13, 101-113 (2000).
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Andrzej Wierzbicki, Charles A. Knight, Travis J. Rutland, Donald D. Muccio, Brandon S. Pybus, and C. Steven Sikes. Structure-Function Relationship in the Antifreeze Activity of Synthetic Alanine-Lysine Antifreeze Polypeptides. Biomacromolecules. 1(2), 268-274 (2000).
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A.Wierzbicki and H.S. Cheung. Molecular Modeling of Inhibition of Hydroxyapatite by Phosphocitrate. Journal of Molecular Structure (THEOCHEM). 529, 73-82 (2000).
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John D. Sallis, Andrzej Wierzbicki, and Herman Cheung. Calcium Pyrohosphate Crystal Salt Forms and the Influence of Phosphocitrate. In Advances in Crystal Growth Inhibition Technologies. Z. Amjad (ed.) Kluwer Academic/Plenum Publishers. New York. 57-70 (2000).
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A.E. Visser, R. P. Swatloski, W. M.Reichert, R. D. Rogers,R. Mayton, S. Sheff, A. Wierzbicki and J. H. Davis, Jr. Room Temperature Ionic Liquids Incorporate Derivatized Cations for the Extraction of Metal Ions from Aqueous Solutions. Chem. Comm. 135-136 (2001).
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M.D. Cao, L.V. Do, N.W. Hoffman, M-L Kwan, J.K. Little, J.M. McGilvray, C.B. Morris, B.C. Soderberg, A. Wierzbicki, T.R. Cundari, C.M. Lake, E.A. Valente. Kinetics of Substitution of Weakly Coordinating Nitrate by Chloride in (-Cp)Ru(CO)ER3ONO2(ER3=AsPh3,PH3,P(p-anisyl)3,PPh2(o-anisyl)P(OPH)3) in Dichloromethane. Organometallics. 20, 2270-2279 (2001).
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C.A. Orme, A. Noy, A. Wierzbicki, M. McBride, M. Grantham, P.M. Dove, and J.J. DeYoreo. Selective Binding of Chiral Amino Acids to the Atomic Steps of Calcite. Nature. 441, 775-779 (2001).
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Andrzej Wierzbicki, E. Alan Salter, Eugene A. Cioffi and Edwin D. Stevens. Density Functional Theory and X-Ray Investigations of P- and M- Hexamethylene Triperoxide Diamine and Its Dialdehyde Derivative. Journal of Physical Chemistry A. 105, 8763-8768 (2001).
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Charles A. Knight, Andrzej Wierzbicki, Richard A. Laursen and Wei Zhang. Adsorption of Biomolecules to Ice and their Effect upon Ice Growth. I. Measuring Adsorption Orientation and Initial Results. Crystal Growth and Design. 1, 429-438 (2001).
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Charles A. Knight, Andrzej Wierzbicki, Adsorption of Biomolecules to Ice and their Effect upon Ice Growth. II Discussion of the Basic Mechanism of the "Antifreeze" Phenomena. Crystal Growth and Design. 1, 439-446 (2001).
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J.D. Madura, E.A. Salter, A. Wierzbicki, P. Dalal, and J.P. Harrington. Homology Models for the Tertameric Dodecameric Complexes of Lumbricus Terrestris Hemoglobin. Journal of Molecular Structure THEOCHEM. 592, 173-181 (2002).
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Scott P. Wilkins, Andrew J. Blum, Travis J. Rutland, Andrzej Wierzbicki, Michelle Kelly and Mark T. Hamann.. Isolation of an Antifreeze Peptide from the Antarctic Sponge Homaxinella Balfourensis Cellular and Molecular Life Sciences. 59, 2210-2215 (2002).
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A. Wierzbicki and J. D. Madura. Modeling of Molecular Adsorption at Crystal Surfaces and Interfaces. (Xiang Yang Liu and Jim DeYoreo eds.) Nanosale Structure and Assembly at Solid-Fluid Interfaces, Vol II: Assembly in Hybrid and Biological Systems. Kluwer, New York. 1-55 (2004).
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E. A. Salter, A. Wierzbicki, G. Sperl, and W. J. Thompson. Quantum Mechanical Study of the Syn and Anti Conformations of Solvated Cyclic GMP. Structural Chemistry. 14(5), 527-533 (2003).
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E. A. Salter, A. Wierzbicki, G. Sperl, and W. J. Thompson, Homology Models of the Catalytic Sites of Phosphodiesterase Types 5A and 10A and Molecular Docking of Selective Apoptotic Antineoplastic Drugs (SAANDs). Int. Journal of Quantum Chemistry. 96, 402-410 (2004).
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Andrzej Wierzbicki, Pranav Dalal, Jeffry D. Madura, and Herman S. Cheung. Molecular Dynamics Simulation of Crystal Induced Membranolysis. Journal of Physical Chemistry B. 107, 12346-12351 (2003).
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S.R. Qiu, A. Wierzbicki, C.A. Orme, A.M. Cody, J.R. Hoyer, G.H. Nancollas, S. Zepeda, J.J. De Yoreo. Molecular Modulation of Calcium Oxalate Crystallization by Osteopontin and Citrate. Proceedings of the National Academy of Sciences. 101, 1811-1815 (2004).
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E.A. Salter, A. Wierzbicki, and T, Land. Ab initio Studies of Stepped {100} surfaces of KDP Crystals. International Journal of Quantum Chemistry. 100, 740-745 (2004).
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E.A. Salter, A. Wierzbicki, and T, Land. Ab initio Study of Al(III) Adsorption on Stepped {100} Surfaces of KDP Crystals. Structural Chemistry. 16, 111-116 (2005).
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Morgan E. Lawrenz, E. Alan Salter, Andrzej Wierzbicki, and Joseph W. Thompson. Molecular Modeling Study of Binding to the Catalytic Site of PDE4 Enzymes of a Novel Class of Inhibitors. International Journal of Quantum Chemistry. 105(4), 410-415 (2005).
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S.R. Qiu, A. Wierzbicki, Alan Salter, S. Zepeda, C.A. Orme, J.R. Hoyer, G.H. Nancollas, A.M. Cody, J.J. De Yoreo. Modulation of calcium oxalate monohydrate crystallization by citrate molecule through selective binding to atomic steps. Journal of the American Chemical Society. 127(25), 9036-9044 (2005).
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Phillip A. Fox, Scott T. Griffin, W. Matthew Reichert, E. Alan Salter, Ashley B. Smith, Morgan D. Tickell, Benjamin Wicker, Eugene A. Cioffi, James H. Davis, Jr., Robin D. Rogers and Andrzej Wierzbicki. Exploiting Isolobal relationships to Create New Ionic Liquids: Novel Room Temperature Ionic Liquids Based Upon (N-alkylimidazole)(amine)BH2+ “Boronium” Ions. Chem. Commun. 3679-3681 (2005).
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Pranav Dalal, Kimberly Zanotti, Andrzej Wierzbicki, Jeffry D. Madura, and Herman S. Cheung. Molecular Dynamics Simulation Studies of the Effect Phosphocitrate on Crystal-Induced Membranolysis. Biophysical Journal. 89(4), 2251-2257 (2005).
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S. Elhadj, A. Salter, A. Wierzbicki, J. J. De Yoreo, N. Han, P. M. Dove. Peptide Controls on Calcite Mineralization: Polyaspartate Chain Length Affects Growth Kinetics and Acts as a Stereochemical Switch on Morphology. Crystal Growth and Design. 6(1), 197-201 (2006).
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Anna Blice-Baum, Aaron Van Dyke, Ian Sigmon, E. Alan Salter, Andrzej Wierzbicki, Y. Pocker, and Greg T. Spyridis. Computational and Spectroscopic Studies Concerning the Solvatochromic Behavior of 1,3-Disubstituted Azulenes. International Journal of Quantum Chemistry. 106, 2331-2238 (2006).
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Herman S. Cheung, John D. Sallis, Konstantino D. Demadis, and Andrzej Wierzbicki. Phosphocitrate Blocks Calcification-induced Articular Joint Degeneration. Arthritis and Rheumatism. 54, 2452-2461 (2006).
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James H. Davis, Jr., Richard D. Sykora, D'Arco McCreary, Andrzej Wierzbicki, E. Alan Salter, Eugene A. Cioffi, Morgan D. Soutullo (neé Tickell), and Carl Odom. A stable boronium ion incorporating a primary amine: Synthesis and characterization by X-ray diffraction. Inorganica Chimica Acta. 360, 3099-3102 (2007).
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Kerrie A. O'Brien, E.A. Salter, and A. Wierzbicki. ONIOM Quantum Chemistry Study of Cyclic Nucleotide Recognition in Phosphodiesterase. International Journal of Quantum Chemistry. 107, 2197-2203 (2007).
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E. Alan Salter and Andrzej Wierzbicki. A Computational Study of Cyclic Nucleotide Hydrolysis in the Phosphodiesterase Catalytic Site. J. Phys. Chem. B. 111, 4547-4552 (2007).
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Andrzej Wierzbicki, Pranav Dalal, Thomas E. Cheatham, III, Jared E. Knickelbein, A.D.J. Haymet, and Jeffry D. Madura. Antifreeze Proteins at the Ice/Water Interface: Three calculated discriminating properties for orientation of Type I proteins. Biophysical Journal. 93, 1442-1451 (2007).
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Morgan D. Sautullo, Carl I. Odom, E. Alan Salter, Alexandra C. Stenson, Richard E. Sykora, Andrzej Wierzbicki, and James H. Davis, Jr. Ultra-easy access to NH2-functionalized TSILs, their potential as volume-efficient electrophile scavengers, and insights into the electronics of Girard's Reagent T, a venerable chemical "work horse". Journal of Combinatorial Chemistry. 9, 571-573 (2007).
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James J. De Yoreo, Andrzej Wierzbicki, and Patricia M. Dove. New insights into mechanisms of biomolecular control on growth of inorganic crystals. CrystEngComm. 9, 1144-1152 (2007).
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E.A. Salter, Kerrie A. O'Brien, R. Wesley Edmunds, and A. Wierzbicki. ONIOM Investigation of Nucleotide Selectivity in Phosphodiesterases 3 and 4. International Journal of Quantum Chemistry. 107, 2197-2203 (2007).
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James J. De Yoreo, Patricia M. Dove, Andrzej Wierzbicki, and John R. Hoyer. Modification of calcium carbonate and calcium oxalate growth morphology and kinetics by carboxyl-rich biomolecules. Journal of the Japanese Association for Crystal Growth. 35, 24-30 (2008).
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Lijun Wang, Xiangying Guan, Ruikang Tang, John R. Hoyer, Andrzej Wierzbicki, James J. De Yoreo, and George H. Nancollas. Phosphorylation of Osteopontin Is Required for Inhibition of Calcium Oxalate Crystallization. J. Phys. Chem. B. 112, 9151-9157 (2008).
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Andrzej Wierzbicki, Charles A. Knight, E. Alan Salter, Camden N. Henderson, and Jeffry D. Madura. The Role of Non-Polar Amino Acid Functional Groups in the Surface-Orientation-Dependent Adsorption of Natural and Synthetic Antifreeze Peptides on Ice. Crystal Growth & Design. 8, 3420-3429 (2008).
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Jun Cui, Keith Battle, Andrzej Wierzbicki, and Jeffry D. Madura. Investigations of Structure and Dynamics of Water Solvation of the Type I Antifreeze Protein. International Journal of Quantum Chemistry. 109, 73-80 (2008).
- Thomas J. Dick, Andrzej Wierzbicki, and Jeffry D. Madura. CO2(aq) Parameterization through Free Energy Perturbation/Monte Carlo Simulations for use in CO2 Sequestration. In Practical Aspects of Computational Chemistry Methods: Concepts and Applications. (Jerzy Leszczynski and Manoj K. Shukla, eds.) Springer 337-357 (2010).
- Thomas J. Dick, Andrzej Wierzbicki, and Jeffry D. Madura. Free Energy Perturbation Monte Carlo Simulations of Salt Influences on Aqueous Freezing Point Depression. In Practical Aspects of Computational Chemistry Methods: Concepts and Applications. (Jerzy Leszczynski and Manoj K. Shukla, eds.) Springer 359-370 (2010).
- Thomas Ruether, Thuy D. Huynh, Junhua Huang, Anthony F. Hollenkamp, E. Alan Salter, A. Wierzbicki, Kaila Mattson, Adam Lewis, and James H. Davis, Jr. Stable Cycling of Lithium Batteries using Novel Boronium Cation Based Ionic Liquids. Chem. Mater. 22, 1038–1045 (2010).
- Keith Battle, E. Alan Salter, R. Wesley Edmunds, Andrzej Wierzbicki. Potential of Mean Force Calculation of the Free Energy of Adsorption of Type I Winter Flounder Antifreeze Protein on Ice. Journal of Crystal Growth. 312, 1257–1261 (2010).
- R. W. Friddle, M. L. Weavera, S. R. Qiu, A. Wierzbicki, W. H. Casey and J. J. De Yoreo. Subnanometer Atomic Force Microscopy of Peptide–Mineral Interactions Links Clustering and Competition to Acceleration and Catastrophe. PNAS. 107, 11–15 (2010).
