Comparative study and multiple linear regression analysis for assessment of chromatographic behavior of structurally...

A quantitative structure-retention relationship study was performed by thin layer chromatography on a number of β-blockers using 315 molecular descriptors of which nine were selected to be having the most important physicochemical properties. These descriptors provide good correlations with chromatographic behavior of the studied structurally related drugs. This research was completed on three pretreated silica gel plates via impregnation in urea, sodium dodecyl sulfate, and dimethylformamide, hence it possesses varying interplay mechanisms and polarities. The retention parameters were obtained by utilizing four solvent systems of two additives of variable ratios, consequently specific polarities in addition to imparted different pH values using either glacial acetic acid or liquid ammonia. Calculated theoretical approaches prove good correlations between investigated descriptors and retention factors. Some correlations show excellent predicting models, which might be critical for toning better know-how relationships between chemical structures and retention of β-blockers.