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Metabolic activation mechanism of 2,2′,3,3′,6,6′-hexachlorobiphenyl (PCB136) by cytochrome P450 2B6: A QM/MM approach

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Affiliation of Author(s):环境研究院

Journal:Science of The Total Environment

Key Words:Addition reactions;Biodegradation;Chemical activation;Degradation;Density functional theory;Ions;Organic pollutants;Polychlorinated biphenyls;Quantum theory;Metabolic activation mechanism;OH-PCB;P450 enzyme;PCB;QM/MM

First Author:朱乐东

Document Code:1395292565430865922

Volume:776

Page Number:145579

Number of Words:5000

Translation or Not:no

Date of Publication:2021-07-01

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