Estimation of the correlation between the retention of s-triazine derivatives and some molecular descriptors

• Published in: Acta Periodica Technologica Vol. 2011; no. 42; pp. 231 - 239
• Main Authors: Jevrić Lidija R., Koprivica Gordana B., Mišljenović Nevena M., Tepić Aleksandra N., Kuljanin Tatjana A., Jovanović Bratislav Ž.
• Format: Journal Article
• Language: English
• Published: Faculty of Technology, Novi Sad 01-01-2011
• Subjects: lipophilicity; multiple linear regression; s-triazine
• ISSN: 1450-7188
• DOI: 10.2298/APT1142231J

In this study, 14 newly synthesized s-triazine derivatives were investigated by means of reversed-phase thin-layer chromatography (TLC) on C-18 stationary and two different mobile phases: acetonitrile-water and methanol-water. Quantitative structure-retention relationship (QSRR) was developed for a series of s-triazine compounds by the multiple linear regression (MLR) analysis. An MLR procedure was used to model the relationships between molecular descriptors and retention of s-triazine derivatives. Physico-chemical molecular descriptors were calculated from the optimized structures. Statistically significant and physically meaningful QSRRs were obtained.