Professor & Dean
A. Mickiewicz University, Poznan, Poland, Chemistry, Ph.D., 1982
A. Mickiewicz University, Poznan, Poland, Physics, M. S., 1979
Dalhousie University, University of Alberta, Georgia State University, Emory University,University
of Florida, Chemistry & Physics, Postdoc, 1985-1992
Office location: HUMB 118
Phone: (251) 460-6280
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 Curriculum Vitae
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.
Recent Publications & Collaborations:
Salter, E. A., Forbes, D. C., Wierzbicki, A. (2011). Relative stabilities of transition states determine diastereocontrol in sulfur ylide additions onto chiral N-sulfinyl imines. International Journal of Quantum Chemistry, 111: n/a. doi: 10.1002/qua.23020.
Madura, J. D., Wierzbicki, A., Cui, J., Battle, K. (2010). Antifreeze Proteins: Computational Perspective from the Past 10 Years. Steffen P. Graether (Ed) Biochemistry and Function of Antifreeze Proteins. Chapter 7 (pp.191-212). Nova Science Publishers.
Friddle, R. W., Weaver, M. L., Qiu, S. R., Wierzbicki, A., Casey, W. H., De Yoreo, J. J. (2010). Subnanometer Atomic Force Microscopy of
Peptide–Mineral Interactions Links Clustering and Competition to Acceleration and Catastrophe. PNAS. 107, 11–15.
Battle, K., Salter, E. A., Edmunds, R. W., Wierzbicki, A. (2010). 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.
Ruether, T., Huynh, T. D., Huang, J., Hollenkamp, A. F., Salter, E. A., Wierzbicki, A., Mattson, K., Lewis, A., Davis, J. H., Jr. (2010). Stable Cycling of Lithium Batteries using Novel Boronium Cation Based Ionic Liquids. Chem. Mater. 22, 1038–1045.
Dick, T. J., Wierzbicki, A., Madura, J. D. (2010). CO2(aq) Parameterization through Free Energy Perturbation/Monte Carlo Simulations for use
in CO2 Sequestration. Practical Aspects of Computational Chemistry Methods: Concepts and Applications. (Jerzy Leszczynski and Manoj
K. Shukla, eds.) Springer 337-357.
© 2012 University of South Alabama Mobile, AL 36688-0002
Phone: (251) 460-6181
Fax: (251) 460-7359