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The yield of 2-vinylpyridine was 93% based on acrylonitrile

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A hybrid quantum mechanics/molecular mechanics (QM/MM) method was established to model the reaction energies of each cysteine with H 2 O 2 (Supplementary methods) According to this method, the activation energy ( E a ) for oxidization of deprotonated GLRX cysteine residues follows the following trend: E a (C8) ≃ E a (C83) Ser (−15.977 Da (C) and S-glutathionylation (+305.068 Da)