Structure-retention relationship study of diastereomeric (Z)- and (E)-2-alkylidene-4-oxothiazolidines
Само за регистроване кориснике
Чланак у часопису (Објављена верзија)
МетаподациПриказ свих података о документу
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.
Кључне речи:diastereomers / lipophilicity / multiple linear regression / quantitative structure retention relationship / RP-TLC
Извор:Journal of Separation Science, 2007, 30, 14, 2241-2248
- Wiley-V C H Verlag Gmbh, Weinheim