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溶剂化参数模型在反相液相色谱中的应用。

Applications of the solvation parameter model in reversed-phase liquid chromatography.

作者信息

Poole Colin F, Lenca Nicole

机构信息

Department of Chemistry, Wayne State University, Detroit, MI 48202, USA.

Department of Chemistry, Wayne State University, Detroit, MI 48202, USA.

出版信息

J Chromatogr A. 2017 Feb 24;1486:2-19. doi: 10.1016/j.chroma.2016.05.099. Epub 2016 Jun 2.

Abstract

The solvation parameter model is widely used to provide insight into the retention mechanism in reversed-phase liquid chromatography, for column characterization, and in the development of surrogate chromatographic models for biopartitioning processes. The properties of the separation system are described by five system constants representing all possible intermolecular interactions for neutral molecules. The general model can be extended to include ions and enantiomers by adding new descriptors to encode the specific properties of these compounds. System maps provide a comprehensive overview of the separation system as a function of mobile phase composition and/or temperature for method development. The solvation parameter model has been applied to gradient elution separations but here theory and practice suggest a cautious approach since the interpretation of system and compound properties derived from its use are approximate. A growing application of the solvation parameter model in reversed-phase liquid chromatography is the screening of surrogate chromatographic systems for estimating biopartitioning properties. Throughout the discussion of the above topics success as well as known and likely deficiencies of the solvation parameter model are described with an emphasis on the role of the heterogeneous properties of the interphase region on the interpretation and understanding of the general retention mechanism in reversed-phase liquid chromatography for porous chemically bonded sorbents.

摘要

溶剂化参数模型被广泛用于深入了解反相液相色谱中的保留机制、进行柱表征以及开发用于生物分配过程的替代色谱模型。分离系统的性质由五个系统常数描述,这些常数代表了中性分子所有可能的分子间相互作用。通过添加新的描述符来编码这些化合物的特定性质,通用模型可以扩展到包括离子和对映体。系统图谱为方法开发提供了作为流动相组成和/或温度函数的分离系统的全面概述。溶剂化参数模型已应用于梯度洗脱分离,但理论和实践表明在此应谨慎对待,因为从其使用中得出的系统和化合物性质的解释是近似的。溶剂化参数模型在反相液相色谱中越来越多的应用是筛选用于估计生物分配性质的替代色谱系统。在对上述主题的讨论中,描述了溶剂化参数模型的成功之处以及已知和可能存在的不足,重点强调了相间区域的非均相性质在解释和理解多孔化学键合吸附剂反相液相色谱中一般保留机制方面的作用。

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