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Structure–retention relationship study of diastereomeric (Z)- and (E)-2-alkylidene-4-oxothiazolidines

✍ Scribed by Maja Natić; Rade Marković; Dušanka Milojković-Opsenica; Živoslav Tešić

Publisher: John Wiley and Sons
Year: 2007
Tongue: English
Weight: 558 KB
Volume: 30
Category: Article
ISSN: 1615-9306
DOI: 10.1002/jssc.200700152

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✦ Synopsis

Abstract

Quantitative structure–retention relationship (QSRR) was developed for a series of the (Z)‐ and (E)‐2‐alkylidene‐4‐oxothiazolidine derivatives by the multiple linear regression (MLR) analysis. Full geometry optimization based on Austin Model 1 (AM1) semiempirical molecular orbital method was carried out and a set of physicochemical molecular descriptors was calculated from the optimized structures. In order to obtain useful experimental parameters, the lipophilic character of analytes was measured by RP‐TLC, and lipophilicity parameters were correlated with physicochemical structural descriptors. Statistically significant and physically meaningful structure–retention relationships were obtained.

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