A simple method for estimating in vitro air-tissue and in vivo blood-tissue partition coefficients

[Display omitted] •Air-to-tissue and blood-to-tissue partitions are estimated by LFERs.•The LFERs are simple, transparent, and calculations are trivial.•The LFERs apply to VOCs, to pesticides, to drugs and to common chemicals.•Other environmentally important processes can also be studied. A simple m...

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Bibliographic Details
Published in:Chemosphere (Oxford) 2015-02, Vol.120, p.188-191
Main Authors: Abraham, Michael H., Gola, Joelle M.R., Ibrahim, Adam, Acree, William E., Liu, Xiangli
Format: Article
Language:English
Subjects:
Abraham descriptors
Air-tissue partition
Biocompatibility
Biomedical materials
Blood-tissue partition
Estimating
Humans
In vitro testing
In vivo testing
In vivo tests
Models, Theoretical
Partitions
Pesticides - pharmacokinetics
Skin - metabolism
Skin Absorption
Surgical implants
Tissue Distribution
Toxicology - methods
Volatile organic compounds
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Summary:[Display omitted] •Air-to-tissue and blood-to-tissue partitions are estimated by LFERs.•The LFERs are simple, transparent, and calculations are trivial.•The LFERs apply to VOCs, to pesticides, to drugs and to common chemicals.•Other environmentally important processes can also be studied. 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.
ISSN:0045-6535
1879-1298
DOI:10.1016/j.chemosphere.2014.06.037