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- Craig Bayse
- Professor
- Department of Chemistry & Biochemistry
- 402 Alfriend Chemistry Bldg
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Norfolk,
VA
23529
- 757-683-4097
- cbayse@odu.edu
- Web Page
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Education
- Cornell University,
2000
- Major: Organic Chemistry
- Degree: Post-doctoral Associate
- Texas A & M University,
1998
- Major: Chemistry (Physical Chemistry)
- Degree: Ph. D.
- Roanoke College,
1994
- Major: Chemistry
- Degree: B.S.
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Articles
- Dembo, M. D., Dunaway, L. E., Jones, J. S., Lepekhina, E. A., McCullough, S. M., Ming, J. L., Li, X., Baril-Robert, F., Patterson, H. H., Bayse, C. A., and Pike, R. D. Structure and luminescence of copper(I) cyanide-amine and-sulfide networks. Inorganica Chimica Acta
- Bayse, C. A., and Pavlou, A. The relationship between Se - - - N, O bond strength and the activity of glutathione peroxidase mimics: A DFT study incorporating
solvent-assisted proton exchange (SAPE). Journal of the American Chemical Society
- Bayse, C. A., and Rafferty, E. R. (2010). Is halogen bonding the basis for iodothyronine deiodinase activity?. Inorganic Chemistry, 49, (pp. 5365-5367).
- Bayse, C. A. (2010). Model mechanisms of sulfhydryl oxidation by methyl- and benzeneseleninic acids, inhibitors of zinc-finger transcription factors. Journal of Inorganic Biochemistry, 104, (pp. 1-8).
- Bayse, C. A. (2009). Density-functional theory models of xanthine oxidoreductase activity: comparison of substrate tautomerization and protonation. Dalton Transactions (pp. 2306-2314).
- Bayse, C. A., and Antony, S. (2009). Modeling the oxidation of ebselen and other organoselenium compounds using explicit solvent networks. Journal of Physical Chemistry A, 113, (pp. 5780-5785).
- Bayse, C. A., Brewster, T. P., and Pike, R. D. (2009). Photoluminescence of 1-D copper(I) cyanide chains: A theoretical description. Inorganic Chemistry, 48, (pp. 174-182).
- Bayse, C. A., and Antony, S. (2009). Theoretical studies of [2,3]-sigmatropic rearrangements of selenoxides and selenimides. Molecules, 14, (pp. 3229-3236).
- Antony, S., and Bayse, C. A. (2009). Theoretical studies of active site models of the tungstoenzyme acetylene hydratase. Organomettalics, 28, (pp. 4938-4944).
- Anzelloti, A. I., Bayse, C. A., and Farrell, N. P. (2008). Effects of nucleobase metallation on frontier molecular orbitals: Potential impolications for π-stacking interactions with
tryptophan. Inorganic Chemistry, 47, (pp. 10425-10431).
- Jimtaisong, A., Feng, L., Sreehari, S., Bayse, C. A., and Luck, R. L. (2008). Rational Synthesis of Molybdenum(V) Tetramers Consisting of [Mo2O4]2+ Dimers Held Together by Bridging Phosphinate Ligands
and the Tungsten(VI) Dimer [(CH3O)2(O)W(μ-O)(μ-O2PPh2)2W(O)(CH3O)2]: Structural and Theoretical Considerations. Journal of Cluster Science, 19, (pp. 181-195).
- Sanderson, J., and Bayse, C. A. (2008). The Lewis acidity of bismuth(III) halides: a DFT analysis. Tetrahedron, 64, (pp. 7685-7689).
- Bayse, C. A. (2007). A DFT study of the glutathione peroxidase-like activity of phenylselenol incorporating solvent-assisted proton exchange. Journal of Physical Chemistry A, 111, (pp. 9070-9075).
- Bayse, C. A., and Allison, B. D. (2007). Activation energies of selenoxide elimination from Se-substituted selenocysteine. Journal of Molecular Modeling, 13, (pp. 47-53).
- Bayse, C. A., and Ortwine, K. N. (2007). Calculation of photoelectron spectra of molybdenum and tungsten complexes using Green's functions methods. Journal of Physical Chemistry A, 111, (pp. 7841-7847).
- Schroden, J. J., Davis, H. F., and Bayse, C. A. (2007). Experimental and theoretical studies of the reactions of Y (a^2D) + H_{2}CO and Y (a^2D) + CH_{3}CHO. Journal of Physical Chemistry A, 111, (pp. 11421-11429).
- Bayse, C. A., and Antony, S. (2007). Molecular modeling of bioactive selenium compounds. Main Group Chemistry, 6, (pp. 185-200).
- Bayse, C. A. (2006). Theoretical studies of the "very rapid" Mo(V) species generated in the oxidation of xanthine oxidase. Inorganic Chemistry, 45, (pp. 2199-2202).
- Bayse, C. A. (2005). Considerations for reliable calculation of ^77Se chemical shifts. Journal of Chemical Theory and Computation, 1, (pp. 1119-1127).
- Ritchey, J. A., Davis, B. M., Pleban, P. A., and Bayse, C. A. (2005). Experimental and theoretical evidence for cyclic selenurane formation during selenomethionine oxidation. Organic and Biomolecular Chemistry, 3, (pp. 4337-4342).
- Ritchey, J. A., Davis, B. M., Pleban, P. A., and Bayse, C. A. (2005). Experimental and Theoretical Evidence for Cyclic Selenurane Formation during Selenomethionine Oxidation. Org. Biomol. Chem., 3, (pp. 4337-4342).
- Bayse, C. A., Baker, R. A., and Ortwine, K. N. (2005). Relative strengths of Se --- N,O interactions: Implications for glutathione peroxidase activity. Inorganica Chimica Acta, 358, (pp. 3849-3854).
- Bayse, C. A., Jimtaisong, A., Kandalam, A. K., Luck, R. L., Pandey, R., and Stevens, M. A. (2005). Structure of MoO(O_{2})_{2}(H_{2}O)(hmpa), hmpa = hexamethylphosphoramide assessed by crystallographic and theoretical Means. Journal of Molecular Structure, 754, (pp. 96-99).
- Bayse, C. A. (2004). The theoretical ^77Se chemical shift as a probe of the selenium state in selenoproteins and their mimics. Inorganic Chemistry, 43, (pp. 1208-1210).
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Presentations
- Structural characterization of copper-selenium complexes relevant to the antioxidant activity of selenium
- Conference Name:
- Location: San Juan, Puerto Rico
- Authors/Presenters:
Riggs-Gelasco, P.
Bayse, C. A.
Brumaghim, J.
- Molecular modeling of cysteine oxidation
- Conference Name:
- Location: Wilmington, DE
- Date: April, 2010
- Authors/Presenters:
Bayse, C. A.
- Time-dependent DFT studies of the photoluminescence of amine-decorated 1-D CuCN chains
- Conference Name:
- Location: Wilmington, DE
- Date: April, 2010
- Authors/Presenters:
Ming, J.
Pike, R. D.
Bayse, C. A.
- Luminescent detection of amines and imines using copper(I) cyanide
- Conference Name:
- Location: Washington, DC
- Date: August, 2009
- Authors/Presenters:
Pike, R. D.
Ley, A. N.
Jones, J. S.
Dunaway, L. E.
Dembo, M. D.
Bayse, C. A.
Baril-Robert, F.
- Modeling the effect of coordination on fenton-type chemistry of copper(I)
- Conference Name:
- Location: Washington, DC
- Date: August, 2009
- Authors/Presenters:
Riahi, M.
Pothen, J.
Bayse, C. A.
- Modeling the mechanism of the glutathione peroxidase mimic ebselen
- Conference Name:
- Location: Washington, DC
- Date: August, 2009
- Authors/Presenters:
Antony, S.
Bayse, C. A.
- Modeling the mechanisms of selenium participation in biochemical signaling
- Conference Name:
- Location: Washington, DC
- Date: August, 2009
- Authors/Presenters:
Bayse, C. A.
- Molecular modeling of intermediates in the mechanism of the tungsten enzyme acetylene hydratase
- Conference Name:
- Location: Washington, DC
- Date: August, 2009
- Authors/Presenters:
Antony, S.
Bayse, C. A.
- Conference Name:
- Location: Biddeford, ME
- Date: June, 2009
- Authors/Presenters:
Bayse, C. A.
- Using theoretical chemistry to understand the biological activity of the trace elements
- Sponsoring Organization: University of North Carolina
- Location: Wilmington, NC
- Date: April 17, 2009
- Authors/Presenters:
Bayse, C. A.
- Using theoretical chemistry to understand the biological activity of the trace elements
- Sponsoring Organization: Hampton University
- Location: Hampton, VA
- Date: February 26, 2009
- Authors/Presenters:
Bayse, C. A.
- Molecular modeling of mimics of the selenoprotein glutathione peroxidase
- Sponsoring Organization: Clemson University
- Location: Clemson, SC
- Date: October 9, 2008
- Authors/Presenters:
Bayse, C. A.
- Molecular modeling of mimics of glutathione peroxidase using solvent-assisted proton exchange
- Conference Name:
- Location: Philadelphia, PA
- Date: August, 2008
- Authors/Presenters:
Bayse, C. A.
- Molecular modeling of the tungstoenzyme acetylene hydratase
- Conference Name:
- Location: Philadelphia, PA
- Date: August, 2008
- Authors/Presenters:
Bayse, C. A.
Antony, S.
- Molecular modeling of selenium-based chemotherapeutics for prevention of oxidative stress
- Conference Name:
- Location: Andover, NH
- Date: July, 2008
- Authors/Presenters:
Bayse, C. A.
- Molecular modeling of ebselen and other mimics of the selenoprotein glutathione peroxidase
- Conference Name:
- Location: Burlington, VT
- Date: June, 2008
- Authors/Presenters:
Bayse, C. A.
Antony, S.
- Comparison of the reactivity of ebselen and selenurane compounds using SAPE and DFT methods
- Conference Name:
- Location: Hampton, VA
- Date: May, 2008
- Authors/Presenters:
Bayse, C. A.
- Molecular modeling of mimics of the selenoprotein glutathione peroxidase
- Sponsoring Organization: Howard University
- Location: Washington, DC
- Date: April 4, 2008
- Authors/Presenters:
Bayse, C. A.
- Using theoretical chemistry to understand the biological activity of the trace elements
- Sponsoring Organization: Shenandoah University
- Location: Winchester, VA
- Date: November 2, 2007
- Authors/Presenters:
Bayse, C. A.
- Molecular modeling of mimics of the selenoprotein glutathione peroxidase
- Sponsoring Organization: University of Louisville
- Location: Louisville, KY
- Date: October 19, 2007
- Authors/Presenters:
Bayse, C. A.
- Computational modeling of bioactive selenium compounds
- Sponsoring Organization: Centre College
- Location: Danville, KY
- Date: October 18, 2007
- Authors/Presenters:
Bayse, C. A.
- Vibrational vs. translational energy in promoting transition metal atom + hydrocarbon reactivity
- Conference Name:
- Location: Arachon, France
- Date: June, 2007
- Authors/Presenters:
Proctor, D.
Schroden, J.
Bayse, C. A.
Davis, H. F.
- DFT modeling of glutathione peroxidase mimics using solvent-assisted proton exchange
- Conference Name:
- Location: Chicago, IL
- Date: March, 2007
- Authors/Presenters:
Bayse, C. A.
- Computational modeling of bioactive selenium compounds
- Sponsoring Organization: College of William and Mary
- Location: Williamsburg, VA
- Date: February 9, 2007
- Authors/Presenters:
Bayse, C. A.
- DFT modeling of mimics of glutathione peroxidase
- Conference Name:
- Location: Augusta, GA
- Date: November, 2006
- Authors/Presenters:
Bayse, C. A.
- Computational modeling of bioactive selenium compounds
- Sponsoring Organization: Georgetown University
- Location: Washington, DC
- Date: November 9, 2006
- Authors/Presenters:
Bayse, C. A.
- Computational modeling of bioactive selenium compounds
- Sponsoring Organization: Auburn University
- Location: Auburn, AL
- Date: November 6, 2006
- Authors/Presenters:
Bayse, C. A.
- Calculation of photoelectron spectra of organometallic complexes using Green's functions methods
- Conference Name:
- Location: Newport, RI
- Date: July, 2006
- Authors/Presenters:
Bayse, C. A.
Ortwine, K. N.
- The role of Se-N,O interactions in the glutathione peroxidase-like mechanism of organoselenium compounds
- Conference Name:
- Location: College Park, MD
- Date: June, 2006
- Authors/Presenters:
Bayse, C. A.
- Computational modeling of biologically active organoselenium compounds
- Conference Name:
- Location: Washington, DC
- Date: August, 2005
- Authors/Presenters:
Bayse, C. A.
- Determination of selenomethonine oxidation products by theoretical 77-Se NMR
- Conference Name:
- Location: Washington, DC
- Date: August, 2005
- Authors/Presenters:
Bayse, C. A.
- Theoretical studies of potential glutathione peroxidase mimetics
- Conference Name:
- Location: Washington, DC
- Date: August, 2005
- Authors/Presenters:
Bayse, C. A.
Ortwine, K. N.
- Identification of a Selenourane during Oxidation of Selenomethionine using 77Se NMR and Theoretical Shifts
- Conference Name: ACS
- Sponsoring Organization: ACS
- Location: Philadelphia, PA
- Date: 2004
- Authors/Presenters:
Ritchey, J. A.
Bayse, C. A.
Pleban, P. A.
- Identification of a Selenourane during Oxidation of Selenomethionine using 77Se NMR
- Conference Name: ACS
- Sponsoring Organization: ACS
- Location: Research Triangle Park, NC
- Date: 2004
- Authors/Presenters:
Ritchey, J. A.
Pleban, P. A.
Bayse, C. A.
- Applications of the theoretical ^77Se chemical shifts
- Conference Name:
- Location: Research Triangle Park, NC
- Date: November, 2004
- Authors/Presenters:
Bayse, C. A.
- Identification of selenurane during oxidation of selenomethionine using ^77Se NMR
- Conference Name:
- Location: Research Triangle Park, NC
- Date: November, 2004
- Authors/Presenters:
Ritchey, J. A.
Pleban, P. A.
Bayse, C. A.
- Computational modeling of biologically active organoselenium compounds
- Sponsoring Organization: Virginia Commonwealth University
- Location: Richmond, VA
- Date: October 28, 2004
- Authors/Presenters:
Bayse, C. A.
- Identification of selenurane during oxidation of selenomethionine using ^77Se NMR and theoretical shifts
- Conference Name:
- Location: Philadelphia, PA
- Date: August, 2004
- Authors/Presenters:
Ritchey, J. A.
Bayse, C. A.
Pleban, P.
- Applications of the theoretical 77-Se chemical shift to biological systems (sci-mix)
- Conference Name:
- Location: Anaheim, CA
- Date: March, 2004
- Authors/Presenters:
Bayse, C. A.
- Theoretical modeling of the Se-N interaction in selenoenzyme mimics
- Conference Name:
- Location: Anaheim, CA
- Date: March, 2004
- Authors/Presenters:
Bayse, C. A.
- 1999: Celanese Award
- 1996: Graduate Fellowship, Robert A. Welch Foundation
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Contracts, Grants and Sponsored Research