title: Quantitative structure-chromatographic retention correlations of quinoline derivatives.
abstract: 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.
authors.affiliation: Department of Physical Chemistry and Chromatography, Samara National Research University Named after Academician S.P. Korolev, 34 Moskovskoye Shosse, 443086, Samara, Russia; Samara Center for Theoretical Materials Science, 34 Moskovskoye Shosse, 443086, Samara, Russia. Electronic address: nkrsvn@gmail.com.
authors.forename: Nadezhda A
authors.initials: NA
authors.lastname: Nekrasova
authors.affiliation: Department of Physical Chemistry and Chromatography, Samara National Research University Named after Academician S.P. Korolev, 34 Moskovskoye Shosse, 443086, Samara, Russia.
authors.forename: Svetlana V
authors.initials: SV
authors.lastname: Kurbatova
mesh_terms: D002851:Chromatography, High Pressure Liquid; D056148:Chromatography, Reverse-Phase; D021281:Quantitative Structure-Activity Relationship; D011804:Quinolines / Q000737:chemistry* / Q000302:isolation & purification
chemical_list: D011804:Quinolines
keywords: Porous graphitized carbon; QSRR; Quinoline; Retention models