Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
7607620 | Journal of Chromatography A | 2018 | 21 Pages |
Abstract
A novel stochastic model was derived which takes both the separation and the interconversion into account at the molecular level - thus the effects of the parameters affecting the separation can be investigated. The novel model was used for the study of quetiapine, a drug molecule that interconverts during the separation to evaluate the rate constant based on the enantiomerization. Various flow rates and temperatures were used, and good agreement was obtained with the rate constant obtained from optical rotation experiments and with the software written by Trapp [1]. The most important result we concluded is the need of mild conditions during the separation to ascertain the rate constant the most accurately (low flow rates and temperatures where the enantiomerization process is limited to a few interconversions). The comparison of the rate constants of the on-column and the off-column experiments should be done by considering the stationary phase effects that are absent in the off-column experiments.
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
Annamária Sepsey, Dóra Rita Németh, Gábor Németh, Attila Felinger,