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使用动态涂层毛细管柱通过微乳液电动色谱法估算中性和弱酸性化合物的正辛醇-水分配系数

Estimation of octanol-water partition coefficients for neutral and weakly acidic compounds by microemulsion electrokinetic chromatography using dynamically coated capillary columns.

作者信息

Poole Salwa K, Patel Sneha, Dehring Karen, Workman Heather, Dong Jessica

机构信息

Discovery Technologies, Pfizer Global Research and Development, Ann Arbor Laboratories, 2800 Plymouth Road, Ann Arbor, MI 48105, USA.

出版信息

J Chromatogr B Analyt Technol Biomed Life Sci. 2003 Aug 15;793(2):265-74. doi: 10.1016/s1570-0232(03)00321-0.

DOI:10.1016/s1570-0232(03)00321-0
PMID:12906900
Abstract

Microemulsion electrokinetic chromatography (MEEKC) using dynamically coated capillary columns is shown to be suitable for estimating the octanol-water partition coefficient (log P) for neutral and weakly acidic compounds at pH 3. The solvation parameter model is used to demonstrate that the retention properties of sodium dodecyl sulfate (1.4% w/v), n-butanol (8% v/v) and n-heptane (1.2% v/v) microemulsion are strongly correlated with the octanol-water partition system. For compounds of varied structure and log P values from 0.3 to 5.15, the correlation model is able to estimate log P to better than 0.25 log units. The dynamically coated columns consisting of a bilayer of poly(vinylsulfonate) adsorbed on top of polybrene provide a suitable electroosmotic flow at pH 3 without interfering in the retention properties of the microemulsion. For automated measurements the microemulsion run buffer should be replenished after 10 runs to maintain a stable cycle time and the coated columns replaced after 40-70 runs, depending on sample properties.

摘要

使用动态涂层毛细管柱的微乳液电动色谱法(MEEKC)被证明适用于在pH 3时估算中性和弱酸性化合物的正辛醇-水分配系数(log P)。溶剂化参数模型用于证明十二烷基硫酸钠(1.4% w/v)、正丁醇(8% v/v)和正庚烷(1.2% v/v)微乳液的保留特性与正辛醇-水分配体系密切相关。对于结构各异且log P值在0.3至5.15之间的化合物,该相关模型能够将log P估算至优于0.25 log单位。由吸附在聚乙烯亚胺之上的聚(乙烯磺酸盐)双层组成的动态涂层柱在pH 3时提供了合适的电渗流,且不会干扰微乳液的保留特性。对于自动测量,微乳液运行缓冲液应在10次运行后补充以维持稳定的循环时间,涂层柱应在40 - 70次运行后更换,具体取决于样品性质。

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