Dr. Andrzej Wierzbicki

▼   Research
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.
▼   Recent Publications & Collaborations

O’Brien, R.A., West, C.W., Hollingsworth, B.E., Stenson, A.C., Henderson, C.B., Mirjafari, A., & Wierzbicki, A. (2013). A simple and rapid route to novel tetra(4- thioalkyl)-ammonium bromides. RSC Adv., 3, 24612- 24617.

O’Brien, R.A., West, C.W., Hollingsworth, B.E., Stenson, A.C., Henderson, C.B., Mirjafari, A., & Wierzbicki, A. (2013). A simple and rapid route to novel tetra(4- thioalkyl)-ammonium bromides. RSC Adv., 3, 24612- 24617.

Tao, J., Salter, E.A., Chien, Y.C., Wierzbicki, A., & De Yoreo, J.J. (2013). Protein matrix self-assembly [Abstract]. Gordon Conference on Thin Film and Crystal Growth Mechanisms.

Tao, J., Battle, K.C., Pan, H., Salter E.A., Chien, Y.C., Wierzbicki, A., & De Yoreo, J.J. (2013). An energetic basis for the architecture of bone [Abstract]. International Materials Research Conference.

Tao, J., Friddle, R.W., Salter, E.A., Wierzbicki, A., & De Yoreo, J.J. (2013). The energetics of collagen hydroxyapatite interactions and its influence on the architecture of bone [Abstract]. Tissue Engineering and Regenerative Medicine International Society Annual Meeting.

Salter, E.A., & Wierzbicki, A. (2013). Analytic Two electron Properties for Many-Body Perturbation Theory and Coupled Cluster Models [Abstract]. 22nd Conference on Current Trends in Computational Chemistry.

Tao, J., Salter, E.A., Chien, Y.C., Wierzbicki, A., & De Yoreo, J.J. (2013, July). Protein matrix self-assembly. Paper presented at the Gordon Conference on Thin Film and Crystal Growth Mechanisms, Biddeford, ME

Tao, J., Battle, K.C., Pan, H., Salter, E.A., Chien, Y.C., Wierzbicki, A., & De Yoreo, J.J. (2013, August). An energetic basis for the architecture of bone. Paper presented at the International Materials Research Conference, Cancun, Mexico.

Tao, J., Friddle, R.W., Salter, E.A., Wierzbicki, A., & De Yoreo, J.J. (2013, November). The energetics of collagen-hydroxyapatite interactions and its influence on the architecture of bone. Paper presented at the Tissue Engineering and Regenerative Medicine International Society Annual Meeting, Atlanta, GA.

Salter, E.A., & Wierzbicki, A. (2013, November). Analytic two-electron properties for many-body perturbation theory and coupled cluster models. Paper presented at the 22nd Conference on Current Trends in Computational Chemistry. Jackson MS.

Wierzbicki, A. (PI)., Forbes, D.C. (Co-PI)., & Honkanen, R.E. (Co-PI). (2013, October) Proof of concept development of PP5 inhibitors, Abraham A. Mitchell Cancer Research Fund, $60,000.