title: A simple method for estimating in vitro air-tissue and in vivo blood-tissue partition coefficients.
abstract: A simple method is reported for the estimation of in vivo air-tissue partition coefficients of VOCs and of in vitro blood-tissue partition coefficients for volatile organic compounds and other compounds. Linear free energy relationships for tissues such as brain, muscle, liver, lung, kidney, heart, skin and fat are available and once the Abraham descriptors are known for a compound, no more than simple arithmetic is required to estimate air-tissue and blood-tissue partitions.
authors.affiliation: Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, UK. Electronic address: ucca16a@ucl.ac.uk.
authors.forename: Michael H
authors.initials: MH
authors.lastname: Abraham
authors.affiliation: Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, UK.
authors.forename: Joelle M R
authors.initials: JM
authors.lastname: Gola
authors.affiliation: Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, UK.
authors.forename: Adam
authors.initials: A
authors.lastname: Ibrahim
authors.affiliation: Department of Chemistry, 1155 Union Circle Drive #305070, University of North Texas, Denton, TX 76203-5017, USA.
authors.forename: William E
authors.initials: WE
authors.lastname: Acree
authors.affiliation: School of Pharmacy, University of Bradford, Bradford BD7 1DP, UK.
authors.forename: Xiangli
authors.initials: X
authors.lastname: Liu
mesh_terms: D006801:Humans; D008962:Models, Theoretical; D010575:Pesticides / Q000493:pharmacokinetics*; D012867:Skin / Q000378:metabolism*; D012869:Skin Absorption; D014018:Tissue Distribution; D014116:Toxicology / Q000379:methods*
chemical_list: D010575:Pesticides
keywords: Abraham descriptors; Air-tissue partition; Blood-tissue partition; Volatile organic compounds