Partial Least-Squares Study of the Effects of Organic Modifier and Physicochemical Properties on the Retention of Some Thiazoles

被引：0
作者：
Tatjana Djaković-Sekulić
Nada Perišić-Janjić
Costel Sârbu
Zagorka Lozanov-Crvenković
机构：
[1] University of Novi Sad,Department of Chemistry, Faculty of Sciences
[2] Babes-Bolyai University Cluj-Napoca,Faculty of Chemistry and Chemical Engineering, Department of Analytical Chemistry
[3] University of Novi Sad,Department of Mathematics and Informatics, Faculty of Sciences
来源：
JPC – Journal of Planar Chromatography – Modern TLC | 2007年 / 20卷
关键词：
2,4-Dioxotetrahydro-1,3-thiazoles; Quantitative structure-retention relationships (QSRR); Molecular descriptors; Principal-component analysis (PCA); Partial least-squares (PLS) regression;
D O I：
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中图分类号：
学科分类号：
摘要：
Reversed-phase (RP) HPTLC with aqueous ammonia-organic modifier (acetonitrile, dioxane, acetone) mobile phases has been used to study the effect on retention of the chromatographic system and the physicochemical properties of twelve 2,4-dioxotetrahydro-1,3-thiazoles. A multivariate approach to the retention behavior of these 1,3-thiazoles with three quite different organic solvents was used to explain the interactions between the analytes and the mobile phases. Principal-component analysis (PCA) and partial least-squares (PLS) regression were used to determine the molecular properties with the greatest effect on retention for each modifier. Good correlation was obtained between experimental and calculated retention data.
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页码：251 / 257
页数：6
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