Quantitative structure—retention relationships of some steroid and phenanthrene derivatives on cyano-, reversed-phase, and normal-phase thin-layer chromatography stationary phases

Abstract

In the presented study, quantitative structure—retention relationships (QSRR) methodology was used to investigate the relationship between the chemical structures of steroids and phenanthrene derivatives, their physicochemical properties, and the chromatographic retention. Normal-, reversed-phase and cyano-bonded silica stationary phases were tested with five binary mobile phases (acetonitrile—water, acetonitrile—dimethyl sulfoxide (DMSO), acetonitrile— methanol, acetone—petroleum ether, and acetone—water). The study was based on multiple linear regression, and the results are presented as QSRR equations. Additionally, principal component analysis and cluster analysis were performed. They have been carried out based on retention parameters and molecular descriptors, which were calculated from the optimized structures by use of HyperChem and ChemAxon software. The high correlation coefficients (r), F-values, and low values of the standard deviation indicate that the obtained QSRR equations present well the...