title: A linear free energy analysis of PAMPA models for biological systems.
abstract: Equation coefficients in the Abraham linear free energy relationship have been obtained for a number of parallel artificial membrane permeability assays, PAMPA, and have been compared to equation coefficients for several biological processes and a large number of water-solvent partitions. From a principal component analysis of the equation coefficients we show that one particular PAMPA (Wohnsland and Faller, 2001) is a good model for human intestinal absorption, but we could find no PAMPA that was a good model for rat brain permeation, mouse brain permeation, blood-brain distribution, skin permeation or water-skin partition, although models that include PAMPA and other descriptors may be useful. The water-octanol system is a poor model for all the biological process we have studied, but water-nonpolar solvent partitions are good models for permeation through egg lecithin membranes.
authors.affiliation: State Key Laboratory of Environmental Criteria and Risk Assessment, Chinese Research Academy of Environmental Sciences, Beijing 100012, China.
authors.forename: Jia
authors.initials: J
authors.lastname: He
authors.affiliation: Department of Chemistry, University College London, 20 Gordon Street, London WC1H OAJ, UK. Electronic address: m.h.abraham@ucl.ac.uk.
authors.forename: Michael H
authors.initials: MH
authors.lastname: Abraham
authors.affiliation: Department of Chemistry, P.O. Box 305070, University of North Texas, Denton, TX 76203-5070, USA.
authors.forename: William E
authors.initials: WE
authors.lastname: Acree
authors.affiliation: State Environmental Protection Key Laboratory of Wetland Ecology and Vegetation Restoration, School of Environment, Northeast Normal University, Changchun, Jilin 130117, PR China.
authors.forename: Yuan H
authors.initials: YH
authors.lastname: Zhao
mesh_terms: D000818:Animals; D006801:Humans; D016014:Linear Models; D008567:Membranes, Artificial; D051379:Mice; D008954:Models, Biological; D010539:Permeability; D051381:Rats
chemical_list: D008567:Membranes, Artificial
keywords: Abraham equation; Linear free energy relationship; PAMPA; Principal component analysis; Water-solvent partitions