230
Views
128
CrossRef citations to date
0
Altmetric
Original Articles

An algorithm for predicting tissue : Blood partition coefficients of organic chemicals from n‐octanol: Water partition coefficient data

&
Pages 117-129 | Received 04 Nov 1994, Accepted 03 Jan 1995, Published online: 19 Oct 2009

References

  • Abraham , M. H. , Kamlet , M. J. , Taft , R. W. , Doherty , R. M. and Weathersby , P. K. 1985 . Solubility properties in polymers and biological media. 2. The correlation and prediction of the solubilities of nonelectrolytes in biological tissues and fluids . J. Med. Chem. , 28 : 865 – 875 .
  • Behnke , A. R. 1964 . “ Role of fat in gross body composition and configuration ” . In Fat as a tissue , Edited by: Rodahl , K. and Issekutz , B. Jr. 285 – 313 . New York : McGraw Hill .
  • Featherstone , R. M. , Muehlbaecher , C. A. , Debon , F. L. and Forsaith , J. A. 1961 . Interactions of inert anaesthetic gases with proteins . Anaesthesiology , 22 : 977 – 981 .
  • Fiserova‐Bergerova , V. 1983 . “ Gases and their solubility: a review of fundamentals ” . In Modeling of inhalation exposure to vapors: Uptake, distribution and elimination , Edited by: Fiserova‐Bergerova , V. Vol. 1 , 3 – 28 . Boca Raton, Fla. : CRC Press .
  • Fiserova‐Bergerova , V. and Diaz , M. L. 1986 . Determination and prediction of tissue : gas partition coefficients . Int. Arch. Occup. Environ. Health , 58 : 75 – 87 .
  • Fiserova‐Bergerova , V. , Tichy , M. and Di Carlo , F. J. 1984 . Effects of biosolubility on pulmonary uptake and disposition of gases and vapors of lipophilic chemicals . Drug Metab. Rev. , 15 : 1033 – 1070 .
  • Gargas , M. L. , Burgess , R. J. , Voisard , D. E. , Cason , G. H. and Andersen , M. E. 1989 . Partition coefficients of low molecular weight volatile organic chemicals in various tissues and liquids . Toxicol. Appl. Pharmacol. , 98 : 87 – 99 .
  • Hansch , C. and Leo , A. 1979 . “ The fragment method of calculating partition coefficients ” . In Substituent constants for correlation analysis in chemistry and biology , Edited by: Hansch , C. and Leo , A. 18 – 43 . New York : John Wiley & Sons .
  • Howard , P. H. 1990 . Handbook of environmental fate and exposure data for organic chemicals , Vol. 2 , Chelsea, Mich. : Lewis .
  • Howard , P. H. 1993 . Handbook of environmental fate and exposure data for organic chemicals , Vol. 4 , Chelsea, Mich. : Lewis .
  • Kaneko , T. , Wang , P. Y. and Sato , A. 1994 . Partition coefficients of some acetate esters and alcohols in water, blood, olive oil and rat tissues . Occup. Environ. Med. , 51 : 68 – 72 .
  • Krishnan , K. and Andersen , M. E. 1994 . “ Physiologically based pharmacokinetic modeling in toxicology ” . In Principles and methods of toxicology, , 3rd ed. , Edited by: Hayes , W. A. 149 – 188 . New York : Raven Press .
  • Larson , C. P. Jr. , Eger , E. I. and Severinghaus , J. W. 1962 . The solubility of halothane in blood and tissue homogenates . Anaesthesiology , 23 : 349 – 355 .
  • Leahy , D. E. 1986 . Intrinsic molecular volume as a measure of the cavity term in linear solvation energy relationships, octanol : water partition coefficients, and aqueous solubilities . J. Pharm. Sci. , 75 : 629 – 636 .
  • Leo , A. , Hansch , C. and Elkins , D. 1971 . Partition coefficients and their uses . Chem. Rev. , 71 : 525 – 616 .
  • Le Roy , D. Jr. 1976 . “ Lipids ” . In Principles of food chemistry , Edited by: Fennema , O. R. 139 – 203 . New York : Marcel Dekker .
  • Long , C. 1961 . Biochemist's handbook , London : E & F Spon .
  • Madani , R. , Poulin , P. , Tardif , R. , Brodeur , J. and Krishnan , K. 1995 . “ Estimation of rat blood : air and tissue : air partition coefficients for some aliphatic monoketonic solvents ” . In preparation
  • Nichols , J. W. , McKim , M. , Lien , G. J. , Hoffman , A. D. and Bertelsen , S. L. 1991 . Physiologically based toxicokinetic modeling of three waterbone chloroethanes in rainbow trout . Toxicol. Appl. Pharmacol. , 110 : 374 – 389 .
  • OECD . 1987 . “ Guidelines for testing of chemicals. Partition coefficient (n‐octanol/water) ” . Organisation for Economic Cooperation and Development . Adopted 12.05.81, number 107
  • Paterson , S. and Mackay , D. 1989 . Correlation of tissue, blood and air partition coefficients of volatile organic chemicals . Br. J. Ind. Med. , 46 : 321 – 328 .
  • Perbellini , L. , Brugnone , F. and Maranelli , G. 1985 . Partition coefficients of some industrial aliphatic hydrocarbons (C5‐C7) in blood and human tissues . Br. J. Ind. Med. , 42 : 162 – 167 .
  • Poulin , P. and Krishnan , K. 1995a . A biologically‐based algorithm for predicting human tissue: blood partition coefficients of organic chemicals . Hum. Exp. Toxicol. , 14 : 273 – 280 .
  • Poulin , P. and Krishnan , K. 1995b . “ A mechanistically‐based algorithm for predicting blood : air partition coefficients of organic chemicals with the consideration of binding to protein ” . Submitted
  • Rouser , G. and Simon , G. 1969 . Species variations in phospholipid class of organs: Heart and skeletal muscle . Lipids , 4 : 607 – 614 .
  • Sato , A. and Nakajima , T. 1979 . Partition coefficients of some aromatic hydrocarbons and ketones in water, blood and oil . Br. J. Ind. Med. , 36 : 231 – 234 .
  • Semler , D. E. , Gad , S. C. and Chengelis , C. P. 1992 . “ The rat ” . In Animal models in toxicology , Edited by: Gad , S. C. and Chengelis , C. P. 21 – 143 . New York : Marcel Dekker .
  • Shapiro , B. 1977 . “ Adipose tissue ” . In Lipid metabolism in mammals , Edited by: Snyder , F. Vol. 1 , 287 – 308 . New York : Plenum Press .
  • Steward , A. , Allott , P. R. , Cowles , A. L. and Mapleson , W. W. 1973 . Solubility coefficients for inhaled anaesthetics for water, oil and biological media . Br. J. Anaesth. , 45 : 282 – 293 .
  • Williams , H. H. , Galbraith , H. , Kaucher , M. , Moyer , E. Z. , Richards , A. J. and Macy , I. G. 1945 . The effect of growth on the lipid composition of rat tissue . J. Biol. Chem. , 161 : 475 – 484 .

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.