Theoretical Prediction and Experimental Verification of ees Versus Time in Biocatalytic Resolution and its Application in a Bioresolution-inversion Process

Abstract

A systematic theoretical derivation of bioresolution-inversion process was made. An equation was derived between the maximum ee value of final product (eef(max)) and enantiomeric ratio (E) of a reaction. The corresponding equations of conv.(max), eep(max), ees(max) versus E-value were also derivative and the interrelationships among eef(max), conv.(max), eep(max) and ees(max) were deduced. Furthermore, a simple equation was de-veloped to predict the enantiomeric excess of substrate (ees) at any other time of the whole reaction course based on the ees value which was determined at a certain reaction time. This equation of ees versus time was verified by three different experiments. Based on the equation of ees versus time, a new equation for predicting the time (t(max)) needed to reach the maximum enantiomeric excess of the final product (eef (max)) after the resolution-inversion was developed.

Keywords

• : theoretical prediction
• bioresolution-inversion
• epoxide hydrolase
• lipase