Journal
ORGANIC & BIOMOLECULAR CHEMISTRY
Volume 9, Issue 13, Pages 4748-4751Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c1ob05497j
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Funding
- National Science Foundation [CHE-0750413]
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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.
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