Quantitative structure–chromatographic retention correlations of quinoline derivatives

•Some one- and two- parameters QSRR-models for quinolines is proposed.•Sorbates properties influence on retention is evaluated.•The best models include combination of physico-chemical and geometrical parameters. The aim of our study was to investigate relationships between quinoline derivatives stru...

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Bibliographic Details
Published in:Journal of Chromatography A 2017-04, Vol.1492, p.55-60
Main Authors: Nekrasova, Nadezhda A., Kurbatova, Svetlana V.
Format: Article
Language:English
Subjects:
Porous graphitized carbon
QSRR
Quinoline
Retention models
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Summary:•Some one- and two- parameters QSRR-models for quinolines is proposed.•Sorbates properties influence on retention is evaluated.•The best models include combination of physico-chemical and geometrical parameters. The aim of our study was to investigate relationships between quinoline derivatives structure and their retention under reversed-phase liquid chromatography conditions. Retention factors of quinolines were experimentally measured and various geometrical and physicochemical parameters representing analytes molecular structure were calculated. Equations connecting chromatographic data with computed characteristics for the set of 17 investigated compounds were constructed. It was shown that the most precise dependencies include combination of physico-chemical and geometrical parameters.
ISSN:0021-9673
DOI:10.1016/j.chroma.2017.02.063