Development and application of a generalized physiologically based pharmacokinetic model for multiple environmental contaminants

Environmental Toxicology and Chemistry

Volumn 22, Issue 1, 2003, Pages 26-34

  Cahill, Thomas M ^a   Cousins, Ian ^a   Mackay, Donald ^a  

^a TRENT UNIVERSITY   (Canada)

Author keywords

Phthalate; Physiologically based pharmacokinetic model; Styrene; Trichloroethene

Indexed keywords

ADSORPTION; DEPOSITION; ESTERS; IMPURITIES; METABOLITES; PARTICULATE EMISSIONS; PHYSIOLOGICAL MODELS; RISK ASSESSMENT; STYRENE;

PHARMACOLOGY;

ENVIRONMENTAL ENGINEERING;

PHTHALIC ACID BIS(2 ETHYLHEXYL) ESTER; PHTHALIC ACID DERIVATIVE; PHTHALIC ACID DIBUTYL ESTER; STYRENE; TRICHLOROETHYLENE;

TOXICOLOGY;

ARTICLE; CALIBRATION; CHEMICAL REACTION; ECOTOXICITY; ENVIRONMENTAL EXPOSURE; FECES ANALYSIS; HUMAN; MODEL; OCCUPATIONAL EXPOSURE; OCCUPATIONAL TOXICOLOGY; PARTITION COEFFICIENT; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; RISK ASSESSMENT; URINARY EXCRETION;

EID: 0037214026     PISSN: 07307268     EISSN: None     Source Type: Journal    
DOI: 10.1002/etc.5620220104     Document Type: Article

References (44)

1. Mackay D. 2001. Multimedia Environmental Models: The Fugacity, Approach, 2nd Ed. Lewis, Boca Raton, FL, USA.
2. Cowan CE, Mackay D, Feijtel TCJ, van de Meent D, Di Guardo A, Davies J, Mackay N. 1994. The Multi-Media Fate Model: A Vital Tool for Predicting the Fate of Chemicals. SETAC, Pensacola, FL, USA.
3. Van de Meent D. 1993. SimpleBox: A Generic Multi-Media Fate Evaluation Model. RIVM Report 6727200001. Institute of Public Health and the Environment, Bilthoven, The Netherlands.
4. McKone TE. 1993. CalTOX, a Multi-Media Total-Exposure Model for Hazardous Wastes Sites. Part II: The Dynamic Multi-Media Transport and Transformation Model. UCRL-CR-111456PtII. Department of Toxic Substances Control, Sacramento, CA, USA.
5. Jarvinen AW, Ankley GT. 1999. Linkage of Effects to Tissue Residues: Development of a Comprehensive Database for Aquatic Organisms Exposed to Inorganic and Organic Chemicals. SETAC, Pensacola, FL, USA.
6. Ramsey JC, Andersen ME. 1984. A physiologically based description of the inhalation pharmacokinetics of styrene in rats and humans. Toxicol Appl Pharmacol 73:159-175.
7. Menzel DB. 1987. Physiological pharmacokinetic modeling. Environ Sci Technol 21:944-950.
8. Welling PG. 1986. Pharmacokinetics: Processes and Mathematics. ACS Monograph 185. American Chemical Society, Washington, DC.
9. Wen YH, Kalff J, Peters RH. 1999. Pharmacokinetic modeling in toxicology: A critical perspective. Environ Rev 7:1-18.
10. Gargas ML, Burgess RJ, Voisard DE, Cason GH, Andersen ME. 1989. Partition coefficients of low-molecular-weight volatile chemicals in various liquids and tissues. Toxicol Appl Pharmacol 98:87-99.
11. Poulin P, Krishnan K. 1996. Molecular structure-based prediction of the partition coefficients of organic chemicals for physiological pharmacokinetic models. Toxicol Methods 6:117-137.
12. Dulfer WJ, Govers HAJ, Groten JP. 1998. Kinetics and conductivity parameters of uptake and transport of polychlorinated biphenyls in the CACO-2 intestinal cell line model. Environ Toxicol Chem 17:493-501.
13. Carpenter RL, Eger EI, Johnson BH, Unadkat JD, Sheiner LB. 1987. Does the duration of anesthetic administration affect the pharmacokinetics or metabolism of inhaled anesthetics in humans? Anesth Analg 66:1-8.
14. You L, Gazi E, Archibeque-Engle S, Casanova M, Conolly RB, Heck H. 1999. Transplacental and lactational transfer of p.p'DDE in Sprague-Dawley rats. Toxicol Appl Pharmacol 157:134-144.
15. Poulin P, Krishnan K. 1995. An algorithm for predicting tissue: Blood partition coefficients of organic chemicals from n-octanol: Water partition coefficient data. J Toxicol Environ Health 46:117-129.
16. Moser GA, McLachlan MS. 2001. The influence of dietary concentration on the absorption and excretion of persistent lipophilic organic pollutants in the human intestinal track. Chemosphere 45:201-211.
17. Poulin P, 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 136:131-137.
18. Cousins I, Mackay D. 2000. Correlating the physical-chemical properties of phthalate esters using the "three solubility" approach. Chemosphere 41:1389-1399.
19. Astill BD. 1989. Metabolism of DEHP: Effects of prefeeding and dose variation, and comparative studies in rodents and the Cynomolgus monkey (CMA studies). Drug Metab Rev 21:35-53.
20. Lake BG, Gray TJB, Foster JR, Stubberfield CR, Gangolli SD. 1984. Comparative studies on di-(2-ethylhexyl) phthalate-induced hepatic peroxisome proliferation in the rat and hamster. Toxicol Appl Pharmacol 72:46-60.
21. Daniel JW, Bratt H. 1974. The absorption, metabolism and tissue distribution of di(2-ethylhexyl) phthalate in rats. Toxicology 2:51-65.
22. Lyman WJ, Reehl WF, Rosenblatt DH. 1990. Handbook of Chemical Property Estimation Methods. American Chemical Society, Washington, DC.
23. Huber WW, Grasl-Kraupp B, Schulte-Hermann R. 1996. Hepatocarcinogenic potential of di(2-ethylhexyl)phthalate in rodents and its implications on human risk. Crit Rev Toxicol 26:365-481.
24. Ramsey JC, Young JD. 1978. Pharmacokinetics of inhaled styrene in rats and humans. Scand J Work Environ Health 4(Suppl. 2):84-91.
25. Monster AC, Boersma G, Duba WC. 1979. Kinetics of trichloroethylene in repeated exposure of volunteers. Int Arch Occup Environ Health 42:283-292.
26. Brown SK, Sim MR, Abramson MJ, Gray CN. 1994. Concentrations of volatile organic compounds in indoor air - A review. Indoor Air 4:123-134.
27. U.S. Environmental Protection Agency. 1994. Semivolatile organic compounds in the general U.S. population: NHATS FY86 results, Vols 1 and 2. EPA-747-R-94-001. Washington, DC.
28. Blount BC, Silva MJ, Caudill SP, Needham LL, Pirkle JL, Sampson EJ, Lucier GW, Jackson RJ, Brock JW. 2000. Levels of seven urinary phthalate metabolites in a human reference population. Environ Health Perspect 108:979-982.
29. David RM. 2000. Exposure to phthalate esters. Environ Health Perspect 108:A440.
30. Fisher JW. 2000. Physiologically based pharmacokinetic models for trichloroethylene and its oxidative metabolites. Environ Health Perspect 108(Suppl. 2):265-273.
31. Clewell HJ, Gentry PR, Covington TR, Gearhart JM. 2000. Development of a physiologically based pharmacokinetic model of trichloroethylene and its metabolites for use in risk assessment. Environ Health Perspect 108(Suppl. 2):283-305.
32. Keys DA, Wallace DG, Kepler TB, Conolly RB. 2000. Quantitative evaluation of alternative mechanisms of blood disposition of di(n-butyl) phthalate and mono(n-butyl) phthalate in rats. Toxicol Sci 53:173-184.
33. Keys DA, Wallace DG, Kepler TB, Conolly RB. 1999. Quantitative evaluation of alternative mechanisms of blood and testes disposition of di(2-ethylhexyl) phthalate and mono(2-ethylhexyl) phthalate in rats. Toxicol Sci 49:172-185.
34. Leung HW, Paustenbach DJ, Murray FJ, Andersen ME. 1990. A physiological pharmacokinetic description of the tissue distribution and enzyme-inducing properties of 2,3,7,8-tetrachlorodibenzo-p-dioxin in the rat. Toxicol Appl Pharmacol 103:399-410.
35. Van der Molen GW, Kooijman SALM, Slob W. 1996. A generic toxicokinetic model for persistent lipophilic compounds in humans: An application to TCDD. Fundam Appl Toxicol 31:83-94.
36. Mackay D, Shiu WY, Ma KC. 2000. Physical-Chemical Properties and Environmental Fate Handbook. CRC, Boca Raton, FL, USA.
37. Tanaka A, Matsumoto A, Yamaha T. 1978. Biochemical studies on phthalic esters. III. Metabolism of dibutyl phthalate (DBP) in animals. Toxicology 9:109-123.
38. Lake BG, Phillips JC, Linnell JC, Gangolli SD. 1977. The in vitro hydrolysis of some phthalate diesters by hepatic and intestinal preparations from various species. Toxicol Appl Pharmacol 39:239-248.
39. Rowland IR, Cottrell RC, Phillips JC. 1977. Hydrolysis of phthalate esters by the gastro-intestinal contents of the rat. Food Cosmet Toxicol 15:17-21.
40. Rowland IR. 1974. Metabolism of di-(2-ethylhexyl) phthalate by the contents of the alimentary tract of the rat. Food Cosmet Toxicol 12:293-302.
41. 14C in the rat. J Agric Food Chem 23:854-858.
42. Foster PMD, Cook MW, Thomas LV, Walters DG, Gangolli SD. 1982. Differences in urinary metabolic profile from di-n-butyl phthalate treated rats and hamsters. Drug Metab Dispos 11:59-61.
43. Tanaka A, Adachi T, Takahashi T, Yamaha T. 1975. Biochemical studies on phthalic esters I. Elimination, distribution and metabolism of di-(2-ethylhexyl) phthalate in rats. Toxicology 4:253-264.
44. Clark K, Cousins I, Mackay D. 2001. Multimedia Modelling and Exposure Assessment for Phthalate Esters - Estimation of Human Exposure. American Chemistry Council, Washington, DC.