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• W2066891745 abstract "Proton assisted O-O bond splitting of cytochromes' P450 hydroperoxo Compound 0 has been investigated by density functional theory, showing a barrier for the slightly endothermic formation of the iron-oxo Compound I. The barrier and the endothermicity increase with decreasing acidity of the distal proton source. Protonation of the proximal iron heme ligand favors the O-O bond scission and provides an important regulatory component in the catalytic cycle. The Compound 0 --> I conversion is slightly exothermic for the peroxidase and catalase models. Implications of the energetic relationship between the two reactive intermediates are discussed in terms of possible oxidative pathways." @default.
• W2066891745 created "2016-06-24" @default.
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• W2066891745 creator A5032478580 @default.
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• W2066891745 date "2007-04-19" @default.
• W2066891745 modified "2023-09-27" @default.
• W2066891745 title "Proton Assisted Oxygen−Oxygen Bond Splitting in Cytochrome P450" @default.
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• W2066891745 doi "https://doi.org/10.1021/ja0685654" @default.
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