Quantitative Structure--Retention Study of Some 2,4-dioksotetrahydro- 1,3--thiazole Derivatives Using the Partial Least Squares Method

Authors

TATJANA DJAKOVIC-SEKULIC
COSTEL SARBU
NADA PERISIC-JANJIC
ZAGORKA LOZANOV-CRVENKOVIC

DOI

10.3906/kim-0705-9

Abstract

Thin-layer chromatography on rice starch support and aqueous ammonia--organic modifier (methanol, dioxane, and acetone) mobile phases was 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 behaviour of the investigated compounds with 3 quite different organic solvents was used to explain the interactions between the 1,3-thiazoles and the mobile phases. Partial least-squares (PLS) regression was used to quantify differences between the observed data and recognize the molecular properties with the greatest effect on retention for each modifier. Good correlation was obtained between experimental and calculated retention data.

Keywords

2, 4-dioksotetrahydro-1, 3-thiazoles, Quantitative Structure-Retention Relationships (QSRR), Molecular descriptors, Partial Least Squares Regression (PLS)

First Page

149

Last Page

157

Recommended Citation

DJAKOVIC-SEKULIC, TATJANA; SARBU, COSTEL; PERISIC-JANJIC, NADA; and LOZANOV-CRVENKOVIC, ZAGORKA (2009) "Quantitative Structure--Retention Study of Some 2,4-dioksotetrahydro- 1,3--thiazole Derivatives Using the Partial Least Squares Method," Turkish Journal of Chemistry: Vol. 33: No. 1, Article 15. https://doi.org/10.3906/kim-0705-9
Available at: https://journals.tubitak.gov.tr/chem/vol33/iss1/15