✍ Scribed by Cristina Onişor; Mihalj Poša; Slavko Kevrešan; Ksenija Kuhajda; Costel Sârbu
No coin nor oath required. For personal study only.
The main goal of this study was to estimate the lipophilicity and investigate the molecular mechanism of retention of bile acids and their derivatives in order to find an objective manner of quantitative comparison of different chemically bonded stationary phases for high performance TLC in terms of their (dis)similarities. Highly significant correlations were obtained between different experimental indices of lipophilicity (R M0 , S and the scores corresponding to the first principal component) estimated on CN F254s and RP-18 F254s and some computed log P values that combine electronic and topological aspects. The most statistically significant quantitative structure-property relationship models, using descriptors from Dragon software, multiple linear regression and genetic algorithm, were also obtained in the case of CN F254s and RP-18 F254s stationary phases. Cross-validation suggests a good reliability of the results. The contribution of 2D and 3D descriptors, which are related to atomic mass, together with reactivity parameters such as polarizability and electronegativity seem to control the chromatographic mechanism (lipophilicity) on all stationary phases.
📜 SIMILAR VOLUMES
## Abstract A comparative study is reported on separation of series of mono‐, di‐, and trisubstituted methyl 5β‐cholanates, which differ only in the position and stereochemistry of hydroxyl or keto groups at position and stereochemistry of hydroxyl or keto groups at positions C‐3, C‐7, and/or C‐12,
Thin-layer chromatography, two dimensional combination of non polar chemical bonded phase / silica gel separation of all bile acids on one chromatogram sensitivity of detection 25 ng for TCDC, GCDC, TDC, GDC, TC, phase GC