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Kinetic Simulation of Methane and Ethane Hydroxylation by Methane Monooxygenase

机译:甲烷单加氧酶对甲烷和乙烷进行羟化反应的动力学模拟

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摘要

According to the mechanism of alkane hydroxylation, whose main postulate is the formation of an intermediate complex containing pentacoordinated carbon, the hydroxylation of methane and ethane by methane monooxygenase was kinetically simulated by the numerical method. The published data on the kinetic isotope effects of oxidation of deuterium-substituted methane molecules (CHD_3, CH_2D_2, and CH_3D) and the distribution of products of chiral ethane (R- and S-MeCHDT) oxidation by methane monooxygenase were examined. The kinetic models proposed for the oxidation of isotopically substituted methane and ethane are in good agreement with experimental data.
机译:根据烷烃羟基化的机理,其主要假设是形成含有五配位碳的中间配合物,利用数值方法动力学模拟了甲烷单加氧酶对甲烷和乙烷的羟基化反应。研究了已发表的有关氘代甲烷分子(CHD_3,CH_2D_2和CH_3D)氧化的动力学同位素效应以及甲烷单加氧酶氧化手性乙烷(R-和S-MeCHDT)的产物分布的数据。提出的用于同位素取代的甲烷和乙烷氧化的动力学模型与实验数据非常吻合。

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