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Issue 13, 2011
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Transition states for cysteine redox processes modeled by DFT and solvent-assisted proton exchange

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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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Publication details

The article was received on 30 Mar 2011, accepted on 26 Apr 2011 and first published on 27 Apr 2011


Article type: Communication
DOI: 10.1039/C1OB05497J
Citation: 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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