Mechanistic Studies on the Decoupled Desaturation and Epoxidation Catalyzed by AsqJ Enzyme

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：melhy

【摘要】

：

　　Here,we performed a QM/MM studies to explore both the desaturation and epoxidation processes of AsqJ enzyme from Aspergillus nidulans,which have been propos

【作者】

：

苏浩;刘永军;

【机构】

：

山东大学理论化学研究所济南市历城区山大南路27号 250100

【出处】

：

第十三届全国量子化学会议

【发表日期】

：

2017年期

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　　Here,we performed a QM/MM studies to explore both the desaturation and epoxidation processes of AsqJ enzyme from Aspergillus nidulans,which have been proposed to be a dioxygenase.[1] The ground state of the FeIV-oxo is quintet state,and the following reaction occurs on the quintet state surface.

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Mechanistic Studies on the Decoupled Desaturation and Epoxidation Catalyzed by AsqJ Enzyme

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