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

来源：

DALTON TRANSACTIONS | 2024年 / 53卷 / 29期

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.

引用

页码：12152 / 12161

页数：10

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