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使用胶束色谱法对1,2,4-三唑类化合物的亲脂性进行定量分析。

Quantification of Lipophilicity of 1,2,4-Triazoles Using Micellar Chromatography.

作者信息

Janicka Małgorzata, Stępnik Katarzyna, Pachuta-Stec Anna

出版信息

Chromatographia. 2012 May;75(9-10):449-456. doi: 10.1007/s10337-012-2227-3. Epub 2012 Apr 8.

DOI:10.1007/s10337-012-2227-3
PMID:22593604
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3336053/
Abstract

High-performance liquid chromatography (HPLC), over-pressured-layer chromatography (OPLC) and thin-layer chromatography (TLC) techniques with micellar mobile phases were proposed to evaluate the lipophilicity of 21 newly synthesized 1,2,4-triazoles, compounds of potential importance in medicine or agriculture as fungicides. Micellar parameters log k(m) were compared with extrapolated R(M0) values determined from reversed-phase (RP) TLC experimental data obtained on RP-8 stationary phases as well as with log P values (Alog Ps, AClog P, Alog P, Mlog P, KowWin, xlog P2 and xlog P3) calculated from molecular structures of solutes tested. The results obtained by applying principal component analysis (PCA) and linear regression showed considerable similarity between partition and retention parameters as alternative lipophilicity descriptors, and indicated micellar chromatography as a suitable technique to study lipophilic properties of organic substances. In micellar HPLC, RP-8e column (Purospher) was applied, whereas in OPLC and TLC, RP-CN plates were applied, which was the novelty of this study and allowed the use of micellar effluents in planar chromatography measurements.

摘要

有人提出采用高效液相色谱法（HPLC）、超压薄层色谱法（OPLC）以及具有胶束流动相的薄层色谱法（TLC）来评估21种新合成的1,2,4-三唑类化合物的亲脂性，这些化合物在医药或农业领域作为杀菌剂具有潜在的重要性。将胶束参数log k(m)与根据在RP-8固定相上获得的反相（RP）TLC实验数据推断出的R(M0)值以及根据所测试溶质的分子结构计算出的log P值（Alog Ps、AClog P、Alog P、Mlog P、KowWin、xlog P2和xlog P3）进行比较。通过主成分分析（PCA）和线性回归获得的结果表明，作为替代亲脂性描述符的分配参数和保留参数之间具有相当大的相似性，并表明胶束色谱法是研究有机物质亲脂特性的合适技术。在胶束HPLC中，使用了RP-8e柱（Purospher），而在OPLC和TLC中，使用了RP-CN板，这是本研究的新颖之处，并且允许在平面色谱测量中使用胶束流出物。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ec9e/3336053/b6ed33a58ebb/10337_2012_2227_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ec9e/3336053/53c634396e74/10337_2012_2227_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ec9e/3336053/b6ed33a58ebb/10337_2012_2227_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ec9e/3336053/53c634396e74/10337_2012_2227_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ec9e/3336053/b6ed33a58ebb/10337_2012_2227_Fig2_HTML.jpg

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