Modelling the biokinetic resolution of diastereomers present in unequal initial amounts

The enantiomeric ratio (E) is commonly used to evaluate enzyme-catalysed kinetic resolutions. Chen et al. (1982) proposed a model for the enantiomeric ratio. which relates the extent of substrate conversion and the enantiomeric excess. The model, however, does not apply to cases where the substrate initially contains unequal amounts of enantiomers. This paper describes the adaptation of Chen's model to cases where the reagent consists of a mixture of diastereomers present in unequal initial amounts and gives product as a single diastereomer. Diastereomeric 'resolutions' of (+)-limonene-1,2-epoxide and of (-)-carveol were used to validate this model. (C) 2002 Elsevier Science Ltd. All rights reserved.