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

Lidija R. Jevrić | Zendy; Gordana Koprivica | Zendy; Nevena Mišljenović | Zendy; Aleksandra Tepić | Zendy; Tatjana Kuljanin | Zendy; Bratislav Jovanović | Zendy

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

Author(s) -

Lidija R. Jevrić,

Gordana Koprivica,

Nevena Mišljenović,

Aleksandra Tepić,

Tatjana Kuljanin,

Bratislav Jovanović

Publication year - 2011

Publication title -

acta periodica technologica

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.134

H-Index - 15

eISSN - 2406-095X

pISSN - 1450-7188

DOI - 10.2298/apt1142231j

Subject(s) - triazine , molecular descriptor , chemistry , chromatography , linear regression , retention time , linear correlation , quantitative structure–activity relationship , acetonitrile , mathematics , stereochemistry , organic chemistry , statistics

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

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