Solvation parameter model: Tutorial on its application to separation systems for neutral compounds
•Selection criteria for calibration compounds.•Operation details of the Solver method to estimate descriptors.•System maps and correlation diagrams for selectivity evaluation.•Model assessment using statistical criteria.•Practices for effective calculation of system constants. The solvation paramete...
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Veröffentlicht in: | Journal of Chromatography A 2021-05, Vol.1645, p.462108, Article 462108 |
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Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | •Selection criteria for calibration compounds.•Operation details of the Solver method to estimate descriptors.•System maps and correlation diagrams for selectivity evaluation.•Model assessment using statistical criteria.•Practices for effective calculation of system constants.
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. |
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ISSN: | 0021-9673 1873-3778 |
DOI: | 10.1016/j.chroma.2021.462108 |