Classification of biphasic solvent systems according to Abraham descriptors for countercurrent chromatography

The method development of liquid-liquid chromatography, either countercurrent chromatography or centrifugal partition chromatography, is slowed down by the selection of the biphasic solvent system that constitutes its column. This paper introduces a classification of 19 solvent systems, including the most popular systems based on heptane/ethyl acetate/methanol/water, some non-aqueous systems and some greener systems. This classification is based on Abraham descriptors determined through the partition coefficients of 43 probes. Among 21 determined models, nine of them allow an accurate prediction of partition coefficients from solute descriptors and another ten provide a description of the chromatographic interactions at the 5% significance level. A graphical tool (spider diagram) is built for the comparison of the chromatographic columns previously characterized with the solvation parameter model. The position of a solvent system in this spider diagram relates to the interactions at stake, thus the selection of columns offering similar or orthogonal interactions is facilitated, with no previous knowledge of the solute required. This semi-empirical strategy cannot fully predict the retention behavior but can judiciously orientate the user towards a limited number of solvent systems to be experimentally tested. (C) 2020 Elsevier B.V. All rights reserved.