title: Estimation of the environmental properties of compounds from chromatographic measurements and the solvation parameter model.
abstract: This article provides an overview of chromatographic methods as surrogate models for environmental processes and for the determination of descriptors for compounds of environmental interest. The solvation parameter model is the link to the identification of suitable chromatographic models for the estimation of environmental properties using a set of tools that allow screening of chromatographic databases for the selection of candidate systems. As an alternative approach, many transport and distribution properties of environmental interest can be described directly by the solvation parameter model. Environmental properties for compounds with known descriptors can then be predicted through these models. The central role chromatographic methods, together with liquid-liquid partition coefficients, occupy in the determination of the six descriptors used in the solvation parameter model is detailed. There is a current need to accelerate efforts to expand the coverage of environmental process models by incorporating more complex molecules of contemporary environmental interest. For many of these molecules descriptor values are unavailable and their determination should be prioritized.
authors.affiliation: Department of Chemistry, Wayne State University, Detroit, MI 48202, USA. Electronic address: cfp@chem.wayne.edu.
authors.forename: Colin F
authors.initials: CF
authors.lastname: Poole
authors.forename: Thiloka C
authors.initials: TC
authors.lastname: Ariyasena
authors.forename: Nicole
authors.initials: N
authors.lastname: Lenca
mesh_terms: D002849:Chromatography, Gas; D002853:Chromatography, Liquid; D020374:Chromatography, Micellar Electrokinetic Capillary; D004785:Environmental Pollutants / Q000032:analysis*; D015233:Models, Statistical; D021281:Quantitative Structure-Activity Relationship
chemical_list: D004785:Environmental Pollutants
keywords: Environmental properties; Gas chromatography; Liquid chromatography; Micellar electrokinetic chromatography; Quantitative retention–property relationships; Solvation parameter model