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Comparative study and multiple linear regression analysis for assessment of chromatographic behavior of structurally related β‐blockers on different stationary phases
Author(s) -
Faried Abdel Hakiem Ahmed,
Khairy Hamdy Ahmed,
Safwat Aboraia Ahmed
Publication year - 2019
Publication title -
journal of separation science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.72
H-Index - 102
eISSN - 1615-9314
pISSN - 1615-9306
DOI - 10.1002/jssc.201900687
Subject(s) - chemistry , chromatography , linear regression , dimethylformamide , acetic acid , silica gel , retention time , solvent , analytical chemistry (journal) , organic chemistry , machine learning , computer science
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.