Effect of Hydrogen Bonding and Partial Deprotonation on the Oxidation of Peptides
In a recent computational study, we found that hydrogen bonding/partial deprotonation facilitates subsequent electron transfer from amides to HO•. We have now analyzed these and related reactions with a glycine derivative as a model peptide, investigating not only reaction energies but also barriers for the individual steps. We find that partial deprotonation not only assists subsequent electron transfer (a sequential proton-loss electron-transfer (SPLET)-type reaction pathway) but also...[Show more]
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|Source:||Journal of Physical Chemistry A|
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