Characterization of the pharmacokinetics of gasoline using PBPK modeling with a complex mixtures chemical lumping approach

Inhalation Toxicology

Volumn 15, Issue 10, 2003, Pages 961-986

  Dennison, James E ^a   Andersen, Melvin E ^a   Yang, Raymond S H ^a  

^a Department of Environmental and Radiological Health Sciences   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE; ETHYLBENZENE; GASOLINE; HEXANE; ORTHO XYLENE; TERT BUTYL METHYL ETHER; TOLUENE;

ANIMAL EXPERIMENT; ARTICLE; COMPARTMENT MODEL; CONTROLLED STUDY; GAS CHROMATOGRAPHY; HEART OUTPUT; INHALATION; LIVER METABOLISM; LUNG VENTILATION; MALE; NONHUMAN; PARTITION COEFFICIENT; PHARMACOKINETICS; PHYSIOLOGICALLY BASED PHARMACOKINETIC MODEL; PRIORITY JOURNAL; RAT; SIMULATION; SUMMER; VALIDATION PROCESS; WINTER;

ANIMALIA;

EID: 0141458234     PISSN: 08958378     EISSN: None     Source Type: Journal    
DOI: 10.1080/08958370390215749     Document Type: Article

References (60)

1. Agrawal, A. K., Goel, S. K., Seth, P. K., and Pandya, K. P. 1985. Central nervous system effect of 2,5-hexane cliol. Neurotoxicology 6(3):53-59.
2. American Conference of Governmental Industrial Hygienists. 1999. 1999 TLVs and BEIs: Threshold limit values for chemical substances and physical agents; biological exposure indices. Cincinnati: ACGIH.
3. Ancheyta-Juarez, J., and Sotelo-Boyas, R. 2000. Estimation of kinetic constants of a five-lump model for fluid catalytic cracking process using simpler sub-models. Energy Fuels 14(6):1226-1231.
4. Ancheyta-Juarez, J., Lopez-Isunza, F., and Aguilar-Rodriguez, E. 1999. 5-Lump kinetic model for gas oil catalytic cracking. Appl. Catal. Gen. 177(2):227-235.
5. Andersen, M. E. 1991. Physiological modelling of organic compounds. Ann. Occup. Hyg. 35(3): 309-322.
6. Andersen, M. E., and Clewell, H. J. III. 1983. Pharmacokinetic interactions of mixtures. Paper read at 14th Annual Conference on Environmental Toxicology, November, Dayton, OH.
7. Backes, W. L., Cawley, G., Eyer, C. S., Means, M., Causey, K. M., and Canady, W. J. 1993. Aromatic hydrocarbon binding to cytochrome P450 and other enzyme binding sites: Are hydrophobic compounds drawn into the active site or pushed from the aqueous phase? Arch. Biochem. Biophys. 304(1):27-37.
8. Borghoff, S. J., Murphy, J. E., and Medinsky, M. A. 1996. Development of physiologically based pharmacokinetic model for methyl tertiary-butyl ether and tertiary-butanol in male Fisher-344 rats. Fundam. Appl. Toxicol. 30(2):264-275.
9. Brown, R. P., Delp, M. D., Lindstedt, S. L., Rhomberg, L. R., and Beliles, R. P. 1997. Physiological parameter values for physiologically based pharmacokinetic models. Toxicol. Ind. Health 13(4):407-484.
10. Cole, C. E., Tran, H. T., and Schlosser, P. M. 2001. Physiologically based pharmacokinetic modeling of benzene metabolism in mice through extrapolation from in vitro to in vivo. J. Toxicol. Environ. Health A 62(6):439-465.
11. Dement, J. M., Hensley, L., and Gitelman, A. 1997. Carcinogenicity of gasoline: A review of epidemiological evidence. Ann. NY Acad. Sci. 837:53-76.
12. Dobrev, I. D., Andersen, M. E., and Yang, R. S. 2001. Assessing interaction thresholds for trichloroethylene in combination with tetrachloroethylene and 1,1,1-trichloroethane using gas uptake studies and PBPK modeling. Arch. Toxicol. 75(3):134-144.
13. Economides, N. 2002. Testimony of Nicholas Economides to U.S. House of Representatives, April 23, 2002. U.S. House of Representatives, N/A 2002 [cited October 22 2002]. Available from http://reform.house.gov/reg/hearings/testimony/042302economides.htm.
14. Fiserova-Bergerova, V., and Diaz, M. L. 1986. Determination and prediction of tissue-gas partition coefficients. Int. Arch. Occup. Environ. Health 58(1):75-87.
15. Gargas, M. L., Andersen, M. E., and Clewell, H. J. D. 1986. A physiologically based simulation approach for determining metabolic constants from gas uptake data. Toxicol. Appl. Pharmacol. 86(3):341-352.
16. Gargas, M. L., Burgess, R. J., Voisard, D. E., Cason, G. H., and Andersen, M. E. 1989. Partition coefficients of low-molecular-weight volatile chemicals in various liquids and tissues. Toxicol. Appl. Pharmacol. 98(1):87-99.
17. Graham, D. G., Amarnath, V., Valentine, W. M., Pyle, S. J., and Anthony, D. C. 1995. Pathogenetic studies of hexane and carbon disulfide neurotoxicity. Crit. Rev. Toxicol. 25(2):91-112.
18. Guengerich, F. P., and Shimada, T. 1991. Oxidation of toxic and carcinogenic chemicals by human cytochrome P-450 enzymes. Chem. Res. Toxicol. 4(4):391-407.
19. Haddad, S., Tardif, R., Charest-Tardif, G., and Krishnan, K. 1999. Physiological modeling of the toxicokinetic interactions in a quaternary mixture of aromatic hydrocarbons. Toxicol. Appl. Pharmacol. 161(3):249-257.
20. Hakkola, M., and Saarinen, L. 1996. Exposure of tanker drivers to gasoline and some of its components. Ann. Occup. Hyg. 40(1):1-10.
21. Hakkola, M. A., and Saarinen, L. H. 2000. Customer exposure to gasoline vapors during refueling at service stations. Appl. Occup. Environ. Hyg. 15(9):677-680.
22. Hargreaves, M. B., Jones, B. C., Smith, D. A., and Gescher, A. 1994. Inhibition of p-nitrophenol hydroxylase in rat liver microsomes by small aromatic and heterocyclic molecules. Drug Metab. Dispos. 22(5):806-810.
23. Harley, R. A., Russell, A. G., and Cass, G. R. 1993. Mathematical-modeling of the concentrations of volatile organic compounds-model performance using a lumped chemical mechanism. Environ. Sci. Technol. 27(8):1638-1649.
24. Hilderbrand, R. L., and Andersen, M. E. 1981. In vivo kinetic constants for the metabolism of inhaled hydrocarbon toxicants as determined by gas uptake methods. Toxicologist 1:86-87.
25. IARC. 2002. IARC Monogr. Prog. Eval. Carcinogen. Risks Hum. [cited October 15]. Available from http://monographs.iarc.fr/.
26. INEGI. 2002. Gasoline production volume, by selected countries, 1995-1999. National Institute of Statistics, Geography and Informatics [cited October 22]. Available from http://www.inegi.gob.mx/estadistica/ingles/economia/internacional/ine_10.html.
27. Johanson, G., and Filser, J. G. 1992. Experimental data from closed chamber gas uptake studies in rodents suggest lower uptake rate of chemical than calculated from literature values on alveolar ventilation. Arch. Toxicol. 66(4):291-295.
28. Kenyon, E. M., Kraichely, R. E., Hudson, K. T., and Medinsky, M. A. 1996. Differences in rates of benzene metabolism correlate with observed genotoxicity. Toxicol. Appl. Pharmacol. 136(1):49-56.
29. King, R. W. 1992. Automotive gasoline-its composition and manufacture-Past, present, and future. J. Expos. Anal. Environ. Epidemiol. 2(1):9-22.
30. Korsak, Z., Swiercz, R., and Jedrychowski, R. 1993. Effects of acute combined exposure to n-butyl alcohol and m-xylene. Pol. J. Occup. Med. Environ. Health 6(1):35-41.
31. Kreamer, D. K., and Stetzenbach, K. J. 1990. Development of a standard, pure-compound base gasoline mixture for use as a reference in field and laboratory experiments. Ground Water Monit. Remed. 10(2):135-145.
32. Krishnan, K., Clewell, H. J., and Andersen, M. E. 1994. Physiologically-based pharmacokinetic analyses of simple mixtures. Environ. Health Perspect. 102:151-155.
33. Kumarathasan, P., Vincent, R., Tardif, R., Potvin, M., Bjarnason, S., Poon, R., Moir, D., and Chu, I. 1996. Experimental atmosphere monitoring in gasoline vapor inhalation studies. Toxicol. Methods 6(2):65-82.
34. MacDonald, A. J., Rostami-Hodjegan, A., Tucker, G. T., and Linkens, D. A. 2002. Analysis of solvent central nervous system toxicity and ethanol interactions using a human population physiologically based kinetic and dynamic model. Regul. Toxicol. Pharmacol. 35(2 Pt 1):165-176.
35. Macey, R. I., and Oster, G. F. 2002. Berkeley Madonna. Berkeley, CA: University of California. Available: http://www.berkeleymadonna.com/ [accessed 20 September 2002].
36. Medinsky, M. A., Sabourin, P. J., Lucier, G., Birnbaum, L. S., and Henderson, R. F. 1989. A physiological model for simulation of benzene metabolism by rats and mice. Toxicol. Appl. Pharmacol. 99(2):193-206.
37. Muller, J., and Greff, G. 1984. Research on the relationships between toxicity of chemicals of industrial interest and physico-chemical properties: Irritation test of the upper respiratory tract applied to four chemical families. Food Chem. Toxicol. 22(8):661-664.
38. Nakajima, T., Elovaara, E., Park, S. S., Gelboin, H. V., Hietanen, E., and Vainio, H. 1989. Immunochemical characterization of cytochrome P-450 isozymes responsible for benzene oxidation in the rat liver. Carcinogenesis 10(9):1713-1717.
39. NIOSH. 1999. Poster entitled Mixed exposures. NIOSH 1999 [cited December 11]. Available from http://www.cdc.gov/niosh/psmixed.html.
40. Office of Environmental Health Hazard Assessment. 1997a. Public health goal for ethylbenzene in drinking water. Sacramento, CA: OEHHA, California Environmental Protection Agency, Pesticide and Environmental Toxicology Section.
41. Office of Environmental Health Hazard Assessment. 1997b. Public health goal for xylene in drinking water. Sacramento, CA: OEHHA, California Environmental Protection Agency, Pesticide and Environmental Toxicology Section.
42. Office of Environmental Health Hazard Assessment. 1999. Public health goal for toluene in drinking water. Sacramento, CA: OEHHA, California Environmental Protection Agency, Pesticide and Environmental Toxicology Section.
43. Perbellini, L., Mozzo, P., Brugnone, F., and Zedde, A. 1986. Physiologicomathematical model for studying human exposure to organic solvents: Kinetics of blood/tissue n-hexane concentrations and of 2,5-hexanedione in urine. Br. J. Ind. Med. 43(11):760-768.
44. Pierce, C. H., Dills, R. L., Morgan, M. S., Nothstein, G. L., Shen, D. D., and Kalman, D. A. 1996. Interindividual differences in 2H8-toluene toxicokinetics assessed by semiempirical physiologically based model [see comments]. Toxicol. Appl. Pharmacol. 139(1):49-61.
45. Popp, W., Rauscher, D., Muller, G., Angerer, J., and Norpoth, K. 1994. Concentrations of benzene in blood and S-phenylmercapturic and t,t-muconic acid in urine in car mechanics. Int. Arch. Occup. Environ. Health 66(1):1-6.
46. Poulin, P., and Krishnan, K. 1996. A mechanistic algorithm for predicting blood: air partition coefficients of organic chemicals with the consideration of reversible binding in hemoglobin. Toxicol. Appl. Pharmacol. 136(1):131-137.
47. Purcell, K. J., Cason, G. H., Gargas, M. L., Andersen, M. E., and Travis, C. C. 1990. In vivo metabolic interactions of benzene and toluene. Toxicol. Lett. 52(2):141-152.
48. Ramsey, J. C., and Andersen, M. E. 1984. A physiologically based description of the inhalation pharmacokinetics of styrene in rats and humans. Toxicol. Appl. Pharmacol. 73(1):159-175.
49. Rao, H. V., and Ginsberg, G. L. 1997. A physiologically-based pharmacokinetic model assessment of methyl t-butyl ether in groundwater for a bathing and showering determination. Risk Anal. 17(5):583-598.
50. Tardif, R., Lapare, S., Krishnan, K., and Brodeur, J. 1993. Physiologically based modeling of the toxicokinetic interaction between toluene and m-xylene in the rat. Toxicol. Appl. Pharmacol. 120(2): 266-273.
51. Tardif, R., Charest-Tardif, G., Brodeur, J., and Krishnan, K. 1997. Physiologically based pharmacokinetic modeling of a ternary mixture of alkyl benzenes in rats and humans. Toxicol. Appl. Pharmacol. 144(1):120-134.
52. Thrall, K. D., and Poet, T. S. 2000. Determination of biokinetic interactions in chemical mixtures using real-time breath analysis and physiologically based pharmacokinetic modeling. J. Toxicol. Environ. Health A 59(8):653-670.
53. Thrall, K. D., Callahan, P. J., Weitz, K. K., Edwards, J. A., Brinkman, M. C., and Kenny, D. V. 2001. Design and evaluation of a breath-analysis system for biological monitoring of volatile compound. Aihaj 62(1):28-35.
54. Toftgard, R., Haaparanta, T., Eng, L., and Halpert, J. 1986. Rat lung and liver microsomal cytochrome P-450 isozymes involved in the hydroxylation of n-hexane. Biochem. Pharmacol. 35(21):3733-3738.
55. Travis, C. C., Quillen, J. L., and Arms, A. D. 1990. Pharmacokinetics of benzene. Toxicol. Appl. Pharmacol. 102(3):400-420.
56. Travis, C. C., Fox, M. T., Simmons, W. M., and Lyon, B. F. 1992. Co-exposure to gasoline vapor decreases benzene metabolism in Fischer-344 rats. Toxicol. Lett. 62(2-3):231-240.
57. U.S. Environmental Protection Agency. 2002. Recommendations and actions. USEPA 2002 [cited 10/15/02]. Available from http://www.epa.gov/mtbe/action.htm.
58. Verhaar, H. J., Morroni, J. R., Reardon, K. F., Hays, S. M., Gaver, D. P., Jr., Carpenter, R. L., and Yang, R. S. 1997. A proposed approach to study the toxicology of complex mixtures of petroleum products: The integrated use of QSAR, lumping analysis and PBPK/PD modeling. Environ. Health Perspect. 105(suppl. 1):179-195.
59. Wixtrom, R. N., and Brown, S. L. 1992. Individual and population exposures to gasoline. J. Expos. Anal. Environ. Epidemiol. 2(1):23-78.
60. Yu, X. Z., Johanson, G., Ichihara, G., Shibata, E., Kamijima, M., Ono, Y., and Takeuchi, Y. 1998. Physiologically based pharmacokinetic modeling of metabolic interactions between n-hexane and toluene in humans. J. Occup. Health 40(4):293-301.