Issue 13, 2011
From the journal:

Organic & Biomolecular Chemistry

Transition states for cysteine redox processes modeled by DFT and solvent-assisted proton exchange†

Craig A. Bayse*a  

* Corresponding authors

a Department of Chemistry and Biochemistry, Old Dominion University, Norfolk, Virginia, United States
E-mail: cbayse@odu.edu
Fax: +1 757 683 4628
Tel: +1 757 683 4097

Abstract

Oxidation and disulfide coupling of cysteine, processes central to oxidative stress and biochemical signaling, are modeled using DFT and solvent-assisted proton exchange, a method of microsolvation. Calculated barriers are consistent with experimental kinetics and observed product ratios and suggest a dependence on the polarity of the surrounding medium.

Graphical abstract: Transition states for cysteine redox processes modeled by DFT and solvent-assisted proton exchange

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Article information

DOI
https://doi.org/10.1039/C1OB05497J
Article type
Communication
Submitted
30 Mar 2011
Accepted
26 Apr 2011
First published
27 Apr 2011

Org. Biomol. Chem., 2011,9, 4748-4751

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Transition states for cysteine redox processes modeled by DFT and solvent-assisted proton exchange

C. A. Bayse, Org. Biomol. Chem., 2011, 9, 4748 DOI: 10.1039/C1OB05497J

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