Solvation parameter model: Tutorial on its application to separation systems for neutral compounds

被引:41
作者
Poole, Colin F. [1 ]
机构
[1] Wayne State Univ, Dept Chem, Detroit, MI 48202 USA
关键词
Chromatography; Liquid-liquid partition; Quantitative structure-retention; relationships; System constants; Descriptors; System maps; GAS-CHROMATOGRAPHY; CONSTANT DATABASE; LIQUID; DESCRIPTORS; PARTITION; RETENTION; SOLVENT; CONSTRUCTION; SELECTIVITY;
D O I
10.1016/j.chroma.2021.462108
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
The solvation parameter model affords a useful tool to model distribution properties of neutral compounds in biphasic separation systems. Common applications include column characterization and method development in gas chromatography; reversed-phase, micellar and hydrophilic interaction liquid chromatography; supercritical fluid chromatography; and micellar electrokinetic chromatography. The characterization of the distribution properties of liquid-liquid partition systems is another major application of this model. This tutorial is aimed at establishing good practices for the application of the model to separation systems. Suitable experimental protocols to determine system constants by multiple linear regression analysis and descriptors by the Solver method are presented; statistical tools to evaluate model quality are discussed; and model-specific data analysis tools based on system maps and correlation diagrams are described. (c) 2021 Elsevier B.V. All rights reserved.
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页数:12
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