Mechanism of non-phenolic substrate oxidation by the fungal laccase Type 1 copper site from Trametes versicolor: the case of benzo[a]pyrene and anthracene

被引:2
|
作者
Orlando, Carla [1 ,3 ]
Rizzo, Isabella Cecilia [1 ]
Arrigoni, Federica [1 ]
Zampolli, Jessica [1 ]
Mangiagalli, Marco [1 ]
Di Gennaro, Patrizia [1 ]
Lotti, Marina [1 ]
De Gioia, Luca [1 ]
Marino, Tiziana [3 ]
Greco, Claudio [2 ]
Bertini, Luca [1 ]
机构
[1] Univ Milano Bicocca, Dept Biotechnol & Biosci, Piazza Sci 2, I-20126 Milan, Italy
[2] Univ Milano Bicocca, Dept Earth & Environm Sci, Piazza Sci 1, I-20126 Milan, Italy
[3] Univ Calabria, Dept Chem & Chem Technol, Cubo 14c, I-87036 Arcavacata Di Rende, CS, Italy
关键词
POLYCYCLIC AROMATIC-HYDROCARBONS; NATURAL MEDIATORS; ELECTRON-TRANSFER; BASIS-SETS; DEGRADATION; BIODEGRADATION; RECALCITRANT; RECOGNITION; INSIGHTS; ENZYMES;
D O I
10.1039/d4dt01377h
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
Laccases (EC 1.10.3.2) are multicopper oxidases with the capability to oxidize diverse phenolic and non-phenolic substrates. While the molecular mechanism of their activity towards phenolic substrates is well-established, their reactivity towards non-phenolic substrates, such as polycyclic aromatic hydrocarbons (PAHs), remains unclear. To elucidate the oxidation mechanism of PAHs, particularly the activation mechanism of the sp(2) aromatic C-H bond, we conducted a density functional theory investigation on the oxidation of two PAHs (anthracene and benzo[a]pyrene) using an extensive model of the T1 copper catalytic site of the fungal laccase from Trametes versicolor.
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页码:12152 / 12161
页数:10
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