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Guangcai Ma, Yulin Li, Lixin Wei, Yongjun Liu and Chengbu Liu A density functional theory study on the catalytic mechanism of hydroxycinnamoyl-CoA hydratase-lyase International Journal of Quantum Chemistry 114

Version of Record online: 23 SEP 2013 | DOI: 10.1002/qua.24551

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Vanillin, a leading flavoring compound used in the food industry, is synthesized from the biologically abundant ferulic acid through twostep enzyme catalysis. This work examines the catalysis mechanism of the responsible enzyme in the second step. The second step is in turn found to consist of two constituent steps. This work is expected lend insight into the precise nature of reactants responsible for this commercially important reaction.

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