Using ab initio methods and natural bond orbital analysis, negative hyperconjugation is shown to govern L-lactate oxidation chemistry and may help to determine its enzymatic dehydrogenation mechanism.

Does negative hyperconjugation assist enzymatic dehydrogenations?

TABACCHI, GLORIA;GAMBA, ALDO;FOIS, ETTORE SILVESTRO
2007

Abstract

Using ab initio methods and natural bond orbital analysis, negative hyperconjugation is shown to govern L-lactate oxidation chemistry and may help to determine its enzymatic dehydrogenation mechanism.
ab initio calculations • density functional calculations • enzymatic catalysis • hydroxyacids • negative hyperconjugation; NBO analysis
Tabacchi, Gloria; Vanoni, M. A.; Gamba, Aldo; Fois, ETTORE SILVESTRO
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11383/1708363
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