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

J Chromatogr A. 2021 May 24:1645:462108. doi: 10.1016/j.chroma.2021.462108. Epub 2021 Mar 26.

Abstract

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.

Keywords: Chromatography; Descriptors; Liquid-liquid partition; Quantitative structure-retention relationships; System constants; System maps.

MeSH terms

  • Chromatography, Gas*
  • Chromatography, Liquid*
  • Linear Models
  • Liquid-Liquid Extraction*
  • Models, Chemical*