A SIMPLE METHOD FOR CALCULATING ENANTIOMER RATIO AND EQUILIBRIUM CONSTANTS IN BIOCATALYTIC RESOLUTIONS

Article abstract of DOI:10.1016/0957-4166(95)00398-3

A computer programme for determination of equilibrium constant (K) and enantiomer ratio (E) in biocatalytic resolutions has been developed.The programme utilises experimental data, ee_s and ee_p measured at more than one conversion, and determines both K and E no matter whether the reaction is irreversible (K=0) or reversible (K>0).An estimation of errors in the calculations indicates that errors in E does not show a Gaussian distribution, while errors in K does.The usefulness of the programme has been tested in a lipase-catalysed transesterification of 1-phenoxy-2-propanol at various concentrations of acyl donor, with different solvents and at different water activities.