Quantitative Structure-Retention Relationships (QSRR) of Biogenic Amine Neurotransmitters and their Metabolites on RP-18 Plates in Thin-Layer Chromatography

摘要

The possibility of using molecular descriptors to predict both the retention behavior and the mechanism of retention of biogenic amine neurotransmitters and some of their metabolites in TLC has been examined. QSRR analysis was achieved by simultaneous solution of a set of linear equations. Basic correlations were found between retention and molecular descriptors calculated by means of semi-empirical methods of quantum chemistry. The functions obtained provided insight into the mechanism of chromatographic retention on a molecular level. Experimentally obtained retention data for biogenic amine neurotransmitters and their derivatives also served as a basis for cluster analysis of these TLC systems.