engleski

Modelling of yeast alcohol dehydrogenase catalysed production of chiral alcohols

A model for predicting and interpreting stereoselectivity of alcohol dehydrogenase catalysed oxidation and reduction of 2-butanone was formulated based on kinetic data. The model took into consideration the simple double substrate Michaelis-Menten kinetic. The kinetic parameters that characterised the kinetic models were estimated by non-linear regression analysis using the rate equations. Estimates of parameters and of their standard errors were obtained by fitting the rate equations to the experimental data using nonlinear least squares in the computer program NLO written for this purpose. The developed model was used to calculate enantiomeric excess (ee) in three types of reactors: batch, single continuous stirred tank reactor (CSTR) and a two-stage CSTR cascade. The cascade of two CSTRs in series seemed to be the most suitable solution for the continuous resolutionj of (R,S)-2-butanol. The reduction of 2-butanone could be conveniently performed continuously in CSTR by using a cofactor-regenerating enzyme.

enzyme; stereoselectivity; modelling; YADH catalysed oxidation; YADH catalysed reduction

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