Transition states for cysteine redox processes modeled by DFT and solvent-assisted proton exchange.
نویسنده
چکیده
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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عنوان ژورنال:
- Organic & biomolecular chemistry
دوره 9 13 شماره
صفحات -
تاریخ انتشار 2011