1Rni69xgMvMIXVwsN5QHkJ1cAbPSTqhCfRuZdAHN9M1ybtRW9uGyTCljgeQ5
Current position: Home >> Scientific Research >> Paper Publications

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

Hits:

Institution:环境研究院

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

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

Release Time:2024-12-18

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

Next One:The reaction of Criegee intermediates with formamide and its implication to atmospheric aerosols