Molecular structure-based prediction of the toxicokinetics of inhaled vapors in humans

International Journal of Toxicology

Volumn 18, Issue 1, 1998, Pages 7-18

  Poulin, Patrick ^a   Krishnan, Kannan ^a  

^a UNIVERSITÉ DE MONTRÉAL   (Canada)

Author keywords

PBPK Modeling; Pharmacokinetics; QSAR; QST(k)R; Toxicokinetics; VOCs

Indexed keywords

1,1,1 TRICHLOROETHANE; DICHLOROMETHANE; ETHYLBENZENE; TOLUENE; TRICHLOROETHYLENE; VOLATILE ORGANIC COMPOUND; XYLENE;

AIR POLLUTION; ARTICLE; CHEMICAL STRUCTURE; DOSE TIME EFFECT RELATION; HUMAN; HUMAN CELL; LIVER METABOLISM; MATHEMATICAL MODEL; MOLECULAR MODEL; PARTITION COEFFICIENT; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SIMULATION; TISSUE DISTRIBUTION; TOXICOKINETICS;

ANIMALIA;

EID: 0032412479     PISSN: 10915818     EISSN: None     Source Type: Journal    
DOI: 10.1080/109158199225756     Document Type: Article

References (17)

1. Andersen, M. E., H. J. Clewell, III, and M. L. Gargas. 1991. Physiologically based pharmacokinetic modeling with dichloromethane, its metabolite carbon monoxide, and blood carboxyhemoglobin in rats and humans. Toxicol. Appl. Pharmacol. 108:14-27.
2. Fiserova-Bergerova, V. 1985. Toxicokinetics of organic solvents. Scand. J. Work. Environ. Health 11 (suppl 1-7):7-21.
3. Fiserova-Bergerova, V., J. Vlach, and J. C. Cassady. 1980. Predictable "individual differences" in uptake and excretion of gases and lipid soluble vapors simulation study. Br. J. Ind. Med. 37:42-49.
4. Hine, J., and P. K. Mookerjee. 1975. The intrinsic hydrophilic character of organic compounds: Correlations in terms of structural contributions. J. Org. Chem. 40:292-298.
5. Johanson, G., and P. H. Naslund. 1988. Spreadsheet programming: a new approach in physiologically based modeling of solvent toxicokinetics. Toxicol. Lett. 41:115-127.
6. Jorgensen, S. E. 1990. Estimation of physical-parameters in ecotoxicology. In Modeling in ecotoxicology: Developments in environmental modeling, ed. S. E. Jorgensen, 51-68. Amsterdam: Elsevier.
7. Krishnan, K., and M. E. Andersen. 1994. Physiologically-based pharmacokinetic modeling in toxicology. In Principles and methods of toxicology, 3rd ed., ed. W. A. Hayes, 149-188. New York: Raven Press.
8. Labaune, J. P. 1987. Pharmacocinétique, principes fondamentaux, 2nd ed. Paris: Masson.
9. Laparé, S., R. Tardif, and J. Brodeur. 1995. Effect of various exposure scenarios on the biological monitoring of organic solvents in alveolar air, II. 1,1,1-trichloroethane and trichloroethylene. Int. Arch. Occup. Environ. Health 67:375-394.
10. Meylan, W. M., and P. H. Howard. 1997. LOGKOW Program. Estimation of log octanol:water partition coefficient. Computer software, MS DOS & MS Windows 3.1, version 1.54. Syracuse, NY: Syracuse Research Corporation, Environmental Science Center.
11. Pelekis, M., D. Krewski, and K. Krishnan. 1997. Physiologically-based algebraic expressions for predicting steady-state toxicokinetics of inhaled vapors. Toxicol. Methods 7:207-228.
12. 8-toluene toxicokinetic assessed by a semiempirical physiologically based model. Toxicol. Appl. Pharmacol. 139:49-61.
13. Poulin, P., and K. Krishnan. 1996. Molecular structure-based predictions of the partition coefficients of organic chemicals for physiological pharmacokinetic models. Toxicol. Methods 6:117-137.
14. Poulin, P., and K. Krishnan. 1998. A quantitative structure-toxicokinetic relationship model for highly metabolized chemicals. ATLA, 26:45-59.
15. Tardif, R., G. Charest-Tardif, J. Brodeur, and K. Krishnan. 1997. Physiologically-based pharmacokinetic modeling of a ternary mixture of alkyl benzene in rats and humans. Toxicol. Appl. Pharmacol. 144:120-134.
16. Wilkinson, G. R., and D. G. Shand. 1975. A physiological approach to hepatic drug clearance. Clin. Pharmacol. Ther. 18:377-390.
17. Yamaguchi, T., M. Yabuki, S. Saito, T. Watanabe, H. Nishimura, N. Isobe, F. Shono, and M. Matsuo. 1996. Research to develop a predicting system of mammalian subacute toxicity (3) construction of a predictive toxicokinetics model. Chemosphere 33:2441-2468.