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Updated: Jul 26, 2026

Sheathless Capillary Electrophoresis–Mass Spectrometry for Metabolic Profiling of Biological Samples
Published on: October 1, 2016
Approaches to quantitative structure-enantioselectivity relationship modeling of chiral separations using capillary
J P Wolbach1, D K Lloyd, I W Wainer
1Analytical Research and Development, DuPont Pharmaceuticals, Wilmington, DE 19880-0353, USA.
Abstract:
Quantitative structure-enantioselectivity relationships (QSERs) have been developed to describe the resolution of a series of chiral arylpropionic acids using capillary electrophoresis. Native beta-cyclodextrin and two derivatized forms are used as the chiral resolving agents. The QSER models are developed using the results of molecular mechanics calculations as input to multivariate linear regression and also to neural networks. Single models are developed to predict the optimum cyclodextrin to resolve a given analyte, the migration order, and the magnitude of the separation. Models are also developed to predict only the optimum cyclodextrin.
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