RETENTION OF SUBSTITUTED INDOLE COMPOUNDS ON RP-HPLC: CORRELATION WITH MOLECULAR CONNECTIVITY INDICES AND QUANTUM CHEMICAL DESCRIPTORS
Jiayin Dai, Shuchun Yao, Yanbing Ding, Liansheng Wang · Journal of Liquid Chromatography & Related Technologies · 1999
The capacity factors (k′) were determined by reversed phased high-performance liquid chromatography (RP-HPLC) on a C18 column for 18 substituted indoles. The linear relationship between the (k′) values and the percentage of the methanol in the eluent was tested for each compound. The molecular connectivity indices and quantum chemical parameters were calculated for the tested chemicals and used to develop quantitative structure-retention relationships (QSRR). Results demonstrated that the molecular connectivity indices and quantum chemical parameters could be used to predict the k′ for all of the test compounds, and the molecular connectivity indices MCI method was more accurate.