Structure-retention relationship study of diastereomeric (Z)- and (E)-2-alkylidene-4-oxothiazolidines
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Quantitative structure-retention relationship (QSRR) was developed for a series of the (Z)- and (E)-2-allcylidene-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.
Keywords:diastereomers / lipophilicity / multiple linear regression / quantitative structure retention relationship / RP-TLC
Source:Journal of Separation Science, 2007, 30, 14, 2241-2248
- Wiley-V C H Verlag Gmbh, Weinheim