Surrogate chromatographic models and the solvation parameter model

• Solvation parameter model provides a link between chromatographic and partition processes. • A visualization technique and d -parameter combination is a practical approach to identify surrogate chromatography systems. • Surrogate chromatographic systems are a cost effective approach in estimating partition properties of interest. Many partition processes of interest have been characterised using Abraham's solvation parameter model. However, to estimate physicochemical, environmental, or biophysical properties of compounds requires reliable solute descriptors. Exploitation of the correlation of partition processes and chromatographic retention data is an alternative approach to estimate properties of interest without relying on solute descriptors. The system constants of the solvation parameter model, along with screening tools such as Cos θ, d -parameter, D -parameter, principal component analysis, and hierarchical cluster analysis, facilitate the identification of similarities between partitioning and chromatographic systems. In this review we discuss various screening tools to identify similarities between partitioning and chromatographic systems as well as applications of surrogate chromatographic models to estimate physicochemical, environmental, and biophysical properties of interest.

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Publication Details

Journal
Journal of Chromatography Open
Published
2025-11-21
DOI
https://doi.org/10.1016/j.jcoa.2025.100292
Citations
2
Primary Topic
Analytical Chemistry and Chromatography
Type
article
Field-Weighted Citation Impact
1.51
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article

Surrogate chromatographic models and the solvation parameter model

2 citations
Journal of Chromatography Open
Analytical Chemistry and Chromatography
1.51
article

Surrogate chromatographic models and the solvation parameter model

article en
2 citations

Abstract

• Solvation parameter model provides a link between chromatographic and partition processes. • A visualization technique and d -parameter combination is a practical approach to identify surrogate chromatography systems. • Surrogate chromatographic systems are a cost effective approach in estimating partition properties of interest. Many partition processes of interest have been characterised using Abraham's solvation parameter model. However, to estimate physicochemical, environmental, or biophysical properties of compounds requires reliable solute descriptors. Exploitation of the correlation of partition processes and chromatographic retention data is an alternative approach to estimate properties of interest without relying on solute descriptors. The system constants of the solvation parameter model, along with screening tools such as Cos θ, d -parameter, D -parameter, principal component analysis, and hierarchical cluster analysis, facilitate the identification of similarities between partitioning and chromatographic systems. In this review we discuss various screening tools to identify similarities between partitioning and chromatographic systems as well as applications of surrogate chromatographic models to estimate physicochemical, environmental, and biophysical properties of interest.

Journal of Chromatography OpenVol. 9
Wayne State University (US), CanAm Bioresearch (Canada) (CA)
Life in Land
Openalex Percentile: Top 15%
Analytical Chemistry and Chromatography
1.51
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