Air to Muscle and Blood/Plasma to Muscle Distribution of Volatile Organic Compounds and Drugs: Linear Free Energy Analyses

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Article on air to muscle and blood/plasma to muscle distribution of volatile organic compounds and drugs and linear free energy analyses.

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8 p.

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Abraham, M. H. (Michael H.); Ibrahim, Adam & Acree, William E. (William Eugene) April 20, 2006.

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Article on air to muscle and blood/plasma to muscle distribution of volatile organic compounds and drugs and linear free energy analyses.

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8 p.

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Abstract: Distribution coefficients, Kmus, from the gas phase to the muscle have been collected for volatile organic compounds (VOCs). For 114 VOCs, a linear free energy relationship (LFER) yields an equation for log Kmus with R2 = 0.944 and SD = 0.267; construction of a training and test set shows that the LFER can predict further values to around 0.30 log units. The combination of the log Kmus values with values for air to blood yields distribution coefficients from blood to muscle, log Pmus, for 110 VOCs; the corresponding LFER has R2 = 0.537 and SD = 0.207 and a predictive capability of 0.22 log units. We also collected data on the distribution of drugs from blood or plasma to muscle and showed that the two sets of data can be combined. A LFER for blood/plasma to muscle for 59 drugs has R2 = 0.745 and SD = 0.253 and a predictive capability of 0.25 log units. Finally, we show that the in vitro data on VOCs and the in vivo data on drugs can be combined; a LFER on the total data for 163 compounds has R2 = 0.595, SD = 0.220, and a predictive capability of about 0.25 log units.

Reprinted with permission from the Chemical Research in Toxicology. Copyright 2006 American Chemical Society.

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  • Chemical Research in Toxicology, 2006, Washington D.C.: American Chemical Society, pp. 801-808

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  • Publication Title: Chemical Research in Toxicology
  • Volume: 19
  • Issue: 6
  • Page Start: 801
  • Page End: 808
  • Peer Reviewed: Yes

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  • April 20, 2006

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  • Oct. 23, 2014, 12:02 p.m.

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  • Jan. 9, 2015, 5:20 p.m.

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Abraham, M. H. (Michael H.); Ibrahim, Adam & Acree, William E. (William Eugene). Air to Muscle and Blood/Plasma to Muscle Distribution of Volatile Organic Compounds and Drugs: Linear Free Energy Analyses, article, April 20, 2006; [Washington, D.C.]. (digital.library.unt.edu/ark:/67531/metadc406343/: accessed October 17, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT College of Arts and Sciences.