Determination of the lipophilicity of Salvia miltiorrhiza Radix et Rhizoma (danshen root) ingredients by microemulsion liquid chromatography: optimization using cluster analysis and a linear solvation energy relationship-based method

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• 作者：Liangxing Li ; Jianrui Yang ; Hongzhang Huang ; Liyuan Xu ; Chongkai Gao and Ning Li
• 刊名：Biomedical Chromatography
• 出版年：2016
• 出版时间：July 2016
• 年：2016
• 卷：30
• 期：7
• 页码：996-1006
• 全文大小：337K
• ISSN：1099-0801

文摘

We evaluated 26 microemulsion liquid chromatography (MELC) systems for their potential as high-throughput screening platforms capable of modeling the partitioning behaviors of drug compounds in an n-octanol–water system, and for predicting the lipophilicity of those compounds (i.e. logP values). The MELC systems were compared by cluster analysis and a linear solvation energy relationship (LSER)-based method, and the optimal system was identified by comparing their Euclidean distances with the LSER coefficients. The most effective MELC system had a mobile phase consisting of 6.0% (w/w) Brij35 (a detergent), 6.6% (w/w) butanol, 0.8% (w/w) cyclohexane, 86.6% (w/w) buffer solution and 8 mm cetyltrimethyl ammonium bromide. The reliability of the established platform was confirmed by the agreement between the experimental data and the predicted values. The logP values of the ingredients of danshen root (Salvia miltiorrhiza Radix et Rhizoma) were then predicted. Copyright