PBPK modeling for PFOS and PFOA: Validation with human experimental data

Toxicology Letters

Volumn 230, Issue 2, 2014, Pages 244-251

  Fàbrega, Francesc ^a   Kumar, Vikas ^a   Schuhmacher, Marta ^a   Domingo, José L ^a   Nadal, Martí ^a  

^a UNIVERSITAT ROVIRA I VIRGILI   (Spain)

Author keywords

Perfluorooctane sulfonate (PFOS); Perfluorooctanoic acid (PFOA); Physiologically based pharmacokinetic (PBPK) model; Target tissues; Toxicokinetic modeling

Indexed keywords

DRINKING WATER; PERFLUOROOCTANESULFONIC ACID; PERFLUOROOCTANOIC ACID; ALKANESULFONIC ACID; FLUOROCARBON; OCTANOIC ACID DERIVATIVE;

ADIPOSE TISSUE; ARTICLE; AUTOPSY; BLOOD; BRAIN; FOOD; INTESTINE; KIDNEY; LIVER; LUNG; TOXICOKINETICS; BIOLOGICAL MODEL; HUMAN; VALIDATION STUDY;

ALKANESULFONIC ACIDS; CAPRYLATES; FLUOROCARBONS; HUMANS; MODELS, BIOLOGICAL;

EID: 84907178308     PISSN: 03784274     EISSN: 18793169     Source Type: Journal    
DOI: 10.1016/j.toxlet.2014.01.007     Document Type: Article

References (58)

1. Andersen M.E., Clewell H.J., Tan Y.M., Butenhoff J.L., Olsen G.W. Pharmacokinetic modeling of saturable, renal resorption of perfluoroalkylacids in monkeys-Probing the determinants of long plasma half-lives. Toxicology 2006, 227:156-164.
2. Austin M.E., Kasturi B.S., Barber M., Kannan K., MohanKumar P.S., MohanKumar S.M.J. Neuroendocrine effects of perfluorooctane sulfonate in rats. Environmental Health Perspectives 2003, 111:1485-1489.
3. Barry V., Winquist A., Steenland K. Perfluorooctanoic acid (PFOA) exposures and incident cancers among adults living near a chemical plant. Environmental Health Perspectives 2013, 1306615. 10.1289/eh.
4. Barton H.A., Chiu W.A., Woodrow Setzer R., Andersen M.E., Bailer A.J., Bois F.Y., DeWoskin R.S., Hays S., Johanson G., Jones N., Loizou G., MacPhail R.C., Portier C.J., Spendiff M., Tan Y.M. Characterizing uncertainty and variability in physiologically based pharmacokinetic models: State of the science and needs for research and implementation. Toxicological Sciences 2007, 99:395-402.
5. Borg D., Lund B.O., Lindquist N.G., Hakansson H. Cumulative health risk assessment of 17 perfluoroalkylated anc polyfluoroalkylated substances (PFASs) in the Swedish population. Environment International 2013, 59:112-123.
6. Brown R.P., Delp M.D., Lindstedt S.L., Rhomberg L.R., Beliles R.P. Physiological parameter values for physiologically based pharmacokinetic models. Toxicology and Industrial Health 1997, 13:407-484.
7. Chaemfa C., Barber J.L., Huber S., Breivik K., Jones K.C. Screening for PFOS and PFOA in European air using passive samplers. Journal of Environmental Monitoring 2010, 12:1100-1109.
8. Chang S.C., Noker P.E., Gorman G.S., Gibson S.J., Hart J.A., Ehresman D.J., Butenhoff J.L. Comparative pharmacokinetics of perfluorooctanesulfonate (PFOS) in rats, mice, and monkeys. Reproductive Toxicology 2012, 33:428-440.
9. Chiu W.A., Barton H.A., DeWoskin R.S., Schlosser P., Thompson C.M., Sonawane B., Lipscomb J.C., Krishnan K. Evaluation of physiologically based pharmacokinetic models for use in risk assessment. Journal of Applied Toxicology 2007, 27:218-237.
10. Clewell R.A., Clewell H.J. Development and specification of physiologically based pharmacokinetic models for use in risk assessment. Regulatory Toxicology and Pharmacology 2008, 50:129-143.
11. Cui L., Zhou Q.F., Liao C.Y., Fu J.J., Jiang G.B. Studies on the toxicological effects of PFOA and PFOS on rats using histological observation and chemical analysis. Archives of Environmental Contamination and Toxicology 2009, 56:338-349.
12. Domingo J.L. Health risks of dietary exposure to perfluorinated compounds. Environment International 2012, 40:187-195.
13. Domingo J.L., Jogsten I.E., Eriksson U., Martorell I., Perello´ G., Nadal M., van Bavel B. Human dietary exposure to perfluoroalkyl substances in Catalonia. Spain. Temporal trend. Food Chemistry 2012, 135:1575-1582.
14. Domingo J.L., Ericson-Jogsten I., Perello´ G., Nadal M., van Bavel B., Ka¨rrman A. Human exposure to perfluorinated compounds in Catalonia, Spain: Contribution of drinking water and fish and shellfish. Journal of Agricultural and Food Chemistry 2012, 60:4408-4415.
15. Ehresman D.J., Froehlich J.W., Olsen G.W., Chang S.C., Butenhoff J.L. Comparison of human whole blood, plasma, and serum matrices for the determination of perfluorooctanesulfonate (PFOS), perfluorooctanoate (PFOA), and other fluorochemicals. Environmental Research 2007, 103:176-184.
16. Ericson I., Go´mez M., Nadal M., van Bavel B., Lindstro¨m G., Domingo J.L. Perfluorinated chemicals in blood of residents in Catalonia (Spain) in relation to age and gender: A pilot study. Environment International 2007, 33:616-623.
17. Ericson Jogsten I., Nadal M., van Bavel B., Lindstro¨m G., Domingo J.L. Per- and polyfluorinated compounds (PFCs) in house dust and indoor air in Catalonia, Spain: implications for human exposure. Environment International 2012, 39:172-180.
18. European Commission Directive 2013/39/EU of the European Parliament and of the Council of 12 August 2013 amending Directives 2000/60/EC and 2008/105/EC as regarding priority substances in the field of water policy. Office Journal of the European Union 2013, L226 1-L226 17.
19. Fromme H., Tittlemier S.A., Vo¨lkel W., Wilhelm M., Twardella D. Perfluorinated compounds-exposure assessment for the general population in western countries. International Journal of Hygiene and Environmental Health 2009, 212:239-270.
20. Fuentes S., Colomina M.T., Rodriguez J., Vicens P., Domingo J.L. Interactions in developmental toxicology: concurrent exposure to perfluorooctane sulfonate (PFOS) and stress in pregnant mice. Toxicology Letters 2006, 164:81-89.
21. Fuentes S., Colomina M.T., Vicens P., Domingo J.L. Influence of maternal restraint stress on the long-lasting effects induced by prenatal exposure to perfluorooctane sulfonate (PFOS) in mice. Toxicology Letters 2007, 171:162-170.
22. Fuentes S., Vicens P., Colomina M.T., Domingo J.L. Behavioral effects in adult mice exposed to perfluorooctane sulfonate (PFOS). Toxicology 2007, 242:123-129.
23. Fujii S., Polprasert C., Tanaka S., Lien N.P.H., Qiu Y. New POPs in the water environment: Distribution, bioaccumulation and treatment of perfluorinated compounds-a review paper. Journal of Water Supply: Research and Technology-AQUA 2007, 56:313-326.
24. Gueorguieva I.I., Nestorov I.A., Rowland M. Fuzzy simulation of pharmacokinetic models: case study of whole body physiologically based model of diazepam. Journal of Pharmacokinetics and Pharmacodynamics 2004, 31:185-213.
25. Grasty R.C., Bjork J.A., Wallace K.B., Lau C.S., Rogers S.M. Effects of prenatal perfluorooctane sulfonate (PFOS) exposure on lung maturation in the perinatal rat. Birth Defects Research Part B: Developmental and Reproductive Toxicology 2005, 74:405-416.
26. Han X., Snow T.A., Kemper R.A., Jepson G.W. Binding of perfluorooctanoic acid to rat and human plasma proteins. Chemical Research in Toxicology 2003, 16:775-781.
27. Hu Q., Franklin J.N., Bryan I., Morris E., Wood A., DeWitt J.C. Does developmental exposure to perflurooctanoic acid (PFOA) induce immunopathologies commonly observed in neurodevelopmental disorders?. Neurotoxicology 2012, 33:1491-1498.
28. Huizer D., Oldenkamp R., Ragas A.M.J., van Rooij J.G.M., Huijbregts M.A.J. Separating uncertainty and physiological variability in human PBPK modelling: the example of 2-propanol and its metabolite acetone. Toxicology Letters 2012, 214:154-165.
29. Hundley S.G., Sarrif A.M., Gl K. Absorption, distribution, and excretion of ammonium perfluorooctanoate (APFO) after oral administration to various species. Drug and Chemical Toxicology 2006, 29:137-145.
30. Ka¨rrman A., Domingo J.L., Llebaria X., Nadal M., Bigas E., van Bavel B., Lindstro¨m G. Biomonitoring perfluorinated compounds in Catalonia, Spain: concentrations and trends in human liver and milk samples. Environmental Science and Pollution Research 2010, 17:750-758.
31. Kim H.Y., Kim S.K., Kang D.M., Hwang Y.S., Oh J.E. The relationships between sixteen perfluorinated compound concentrations in blood serum and food, and other parameters, in the general population of South Korea with proportionate stratified sampling method. Science of the Total Environment 2013, 470-471:1390-1400.
32. Knaak J.B., Al-Bayati M.A., Raabe O.G. Development of partition coefficients V(max) and K(m) values, and allometric relationships. Toxicology Letters 1995, 79:87-98.
33. Kumar V., Mari M., Schuhmacher M., Domingo J.L. Partitioning total variance in risk assessment: application to a municipal solid waste incinerator. Environmental Modelling and Software 2009, 24:247-261.
34. Lau C., Anitole K., Hodes C., Lai D., Pfahles-Hutchens A., Seed J. Perfluoroalkyl acids: a review of monitoring and toxicological findings. Toxicological Sciences 2007, 99:366-394.
35. Lau C., Butenhoff J.L., Rogers J.M. The developmental toxicity of perfluoroalkyl acids and their derivatives. Toxicology and Applied Pharmacology 2004, 198:231-241.
36. Lau C. Perfluoroalkyl acids: recent research highlights. Reproductive Toxicology 2012, 33:405-409.
37. Loccisano A.E., Campbell J.L., Andersen M.E., Clewell H.J. Evaluation and prediction of pharmacokinetics of PFOA and PFOS in the monkey and human using a PBPK model. Regulatory Toxicology and Pharmacology 2011, 59:157-175.
38. Loccisano A.E., Longnecker M.P., Campbell J.L., Andersen M.E., Clewell H.J. Development of PBPK models for PFOA and PFOS for human pregnancy and lactation life stages. Journal of Toxicology and Environmental Health-Part A: Current Issues 2013, 76:25-57.
39. Loizou G., Spendiff M., Barton H.A., Bessems J., Bois F.Y., d'Yvoire M.B., Buist H., Clewell Iii H.J., Meek B., Gundert-Remy U., Goerlitz G., Schmitt W. Development of good modelling practice for physiologically based pharmacokinetic models for use in risk assessment: the first steps. Regulatory Toxicology and Pharmacology 2008, 50:400-411.
40. Maestri L., Negri S., Ferrari M., Ghittori S., Fabris F., Danesino P., Imbriani M. Determination of perfluorooctanoic acid and perfluorooctanesulfonate in human tissues by liquid chromatography/single quadrupole mass spectrometry. Rapid Communications in Mass Spectrometry 2006, 20:2728-2734.
41. Mariussen E. Neurotoxic effects of perfluoroalkylated compounds: Mechanisms of action and environmental relevance. Archives of Toxicology 2012, 86:1349-1367.
42. Nadal M., Fa`brega F., Schuhmacher M., Domingo J.L. PCDD/Fs in plasma of individuals living near a hazardous waste incinerator. a comparison of measured levels and estimated concentrations by PBPK modeling. Environmental Science and Technology 2013, 47:5971-5978.
43. Pe´rez F., Nadal M., Navarro-Ortega A., Fa`brega F., Domingo J.L., Farre´ M., Barcelo´ D. Accumulation of perfluoroalkyl substances in human tissues. Environment International 2013, 59:354-362.
44. Pe´ry A.R.R., Brochot C., Zeman F.A., Mombelli E., Desmots S., Pavan M., Fioravanzo E., Zaldi´var J.M. Prediction of dose-hepatotoxic response in humans based on toxicokinetic/toxicodynamic modeling with or without in vivo data: a case study with acetaminophen. Toxicology Letters 2013, 220:26-34.
45. Post G.B., Louis J.B., Cooper K.R., Boros-Russo B.J., Lippincott R.L. Occurrence and potential significance of perfluorooctanoic acid (PFOA) detected in New Jersey public drinking water systems. Environmental Science and Technology 2009, 43:4547-4554.
46. Post G.B., Cohn P.D., Cooper K.R. Perfluorooctanoic acid (PFOA), an emerging drinking water contaminant: a critical review of recent literature. Environmental Research 2012, 116:93-117.
47. Rumsby P.C., McLaughlin C.L., Hall T. Perfluorooctane sulphonate and perfluorooctanoic acid in drinking and environmental waters. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 2009, 367:4119-4136.
48. Sato I., Kawamoto K., Nishikawa Y., Tsuda S., Yoshida M., Yaegashi K., Saito N., Liu W., Jin Y. Neurotoxicity of perfluorooctane sulfonate (PFOS) in rats and mice after single oral exposure. Journal of Toxicological Sciences 2009, 34:569-574.
49. Shi Y., Pan Y., Wang J., Cai Y. Distribution of perfluorinated compounds in water, sediment, biota and floating plants in Baiyangdian Lake, China. Journal of Environmental Monitoring 2012, 14:636-642.
50. Stahl T., Mattern D., Brunn H. Toxicology of perfluorinated compounds. Environmental Sciences Europe 2011, 23:38.
51. Tan Y.M., Clewell Iii H.J., Andersen M.E. Time dependencies in perfluorooctylacids disposition in rat and monkeys: a kinetic analysis. Toxicology Letters 2008, 177:38-47.
52. Thompson M.D., Beard D.A., Wu F. Use of partition coefficients in flow-limited physiologically-based pharmacokinetic modeling. Journal of Pharmacokinetics and Pharmacodynamics 2012, 39:313-327.
53. US EPA Exposure factors handbook. EPA/600/R-09/052F 2011, US Environmental Protection Agency, Washington, DC.
54. Vanden Heuvel J.P., Kuslikis B.I., Van Rafelghem M.J., Peterson R.E. Tissue distribution, metabolism, and elimination of perfluorooctanoic acid in male and female rats. Journal of Biochemical Toxicology 1991, 6:83-92.
55. WHO/IPCS Characterization and application of physiologically based pharmacokinetic models in risk assessment. IPCS Harmonization Project Document No. 9 2010, WHO/IPCS, Geneva, Switzerland.
56. Yahia D., El-Nasser M.A., Abedel-Latif M., Tsukuba C., Yoshida M., Sato I., Tsuda S. Effects of perfluorooctanoic acid (PFOA) exposure to pregnant mice on reproduction. Journal of Toxicological Sciences 2010, 35:527-533.
57. Yeung L.W.Y., Guruge K.S., Taniyasu S., Yamashita N., Angus P.W., Herath C.B. Profiles of perfluoroalkyl substances in the liver and serum of patients with liver cancer and cirrhosis in Australia. Ecotoxicology and Environmental Safety 2013, 96:139-146.
58. Zareitalabad P., Siemens J., Hamer M., Amelung W. Perfluorooctanoic acid (PFOA) and perfluorooctanesulfonic acid (PFOS) in surface waters, sediments, soils and wastewater-a review on concentrations and distribution coefficients. Chemosphere 2013, 91:725-732.