Toward improved models for predicting bioconcentration of well-metabolized compounds by rainbow trout using measured rates of in vitro intrinsic clearance

Environmental Toxicology and Chemistry

Volumn 32, Issue 7, 2013, Pages 1611-1622

  Nichols, John W ^a   Huggett, Duane B ^b   Arnot, Jon A ^c,d   Fitzsimmons, Patrick N ^a   Cowan Ellsberry, Christina E ^e  

^a U S ENVIRONMENTAL PROTECTION AGENCY   (United States)

^b UNIVERSITY OF NORTH TEXAS   (United States)

^c UNIVERSITY OF TORONTO   (Canada)

^d Arnot Research and Consulting   (Canada)

^e CE2 Consulting   (United States)

Author keywords

Bioaccumulation; Bioconcentration; Biotransformation; Fish; In vitro in vivo extrapolation

Indexed keywords

BIOCONCENTRATION; BIOTRANSFORMATION; CHEMICAL FRACTIONS; CLEARANCE RATES; CRITICAL RESEARCHES; MODEL PARAMETERS; PREDICTION MODEL; PROVIDE GUIDANCES;

BIOCHEMISTRY; BIOCONVERSION; EXTRAPOLATION; FISH; FORECASTING; RATE CONSTANTS;

BIOACCUMULATION;

ALGORITHM; BIOACCUMULATION; DATA ACQUISITION; FISH; HYDROPHOBICITY; METABOLISM; NUMERICAL MODEL; PARAMETERIZATION; POLLUTION EXPOSURE;

ALGORITHM; ALLOMETRY; ANIMAL EXPERIMENT; ARTICLE; BINDING AFFINITY; BIOACCUMULATION; BIOTRANSFORMATION; CHEMICAL BINDING; HYDROPHOBICITY; IN VITRO STUDY; LIVER CLEARANCE; LIVER METABOLISM; NONHUMAN; PRIORITY JOURNAL; RAINBOW TROUT; SENSITIVITY ANALYSIS;

ANIMALS; BIOTRANSFORMATION; HEPATOCYTES; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; KINETICS; LIVER; MODELS, BIOLOGICAL; MODELS, CHEMICAL; ONCORHYNCHUS MYKISS; WATER POLLUTANTS, CHEMICAL;

ANIMALIA; ONCORHYNCHUS MYKISS; SALMONIDAE;

EID: 84878735124     PISSN: 07307268     EISSN: 15528618     Source Type: Journal    
DOI: 10.1002/etc.2219     Document Type: Article

References (57)

1. Southworth GR, Keffer CC, Beauchamp JJ. 1980. Potential and realized bioconcentration. A comparison of observed and predicted bioconcentration of azaarenes in the fathead minnow (Pimephales promelas). Environ Sci Technol 14:1529-1531.
2. Oliver BG, Niimi AJ. 1985. Bioconcentration factors of some halogenated organics for rainbow trout: Limitations in their use for prediction of environmental residues. Environ Sci Technol 19:842-849.
3. Clark KE, Gobas FAPC, Mackay D. 1990. Model of organic chemical uptake and clearance by fish from food and water. Environ Sci Technol 24:1203-1213.
4. de Wolf W, de Bruijn JHM, Seinen W, Hermens J. 1992. Influence of biotransformation on the relationship between bioconcentration factors and octanol-water partition coefficients. Environ Sci Technol 26:1197-1201.
5. Arnot JA, Mackay D, Bonnell M. 2008. Estimating biotransformation rates in fish from laboratory data. Environ Toxicol Chem 27:341-351.
6. Arnot JA, Mackay D, Parkerton TF, Bonnell M. 2008. A database of fish biotransformation rates for organic chemicals. Environ Toxicol Chem 27:2263-2270.
7. Arnot JA, Meylan W, Tunkel J, Howard PH, Mackay D, Bonnell M, Boethling RS. 2009. A quantitative structure-activity relationship for predicting metabolic biotransformation rates for organic chemicals in fish. Environ Toxicol Chem 28:1168-1177.
8. US Environmental Protection Agency. 2012. Estimation Programs Interface Suite for Microsoft Windows. Washington, DC [cited 7 March 2013]. Available from: http://www.epa.gov/opptintr/exposure/pubs/episuite.htm.
9. Arnot JA, Gobas FAPC. 2003. A generic QSAR for assessing the bioaccumulation potential of organic chemicals in aquatic food webs. QSAR Comb Sci 22:337-345.
10. Dimitrov S, Dimitrova N, Parkerton T, Comber M, Bonnell M, Mekenyan O. 2005. Base-line model for identifying the bioaccumulation potential of chemicals. SAR QSAR Environ Res 16:531-554.
11. Han X, Nabb DL, Mingoia RT, Yang C-H. 2007. Determination of xenobiotic intrinsic clearance in freshly isolated hepatocytes from rainbow trout (Oncorhynchus mykiss) and rat and its application in bioaccumulation assessment. Environ Sci Technol 41:3269-3276.
12. Han X, Nabb DL, Yang C-H, Snajdr SI, Mingoia RT. 2009. Liver microsomes and S9 from rainbow trout (Oncorhynchus mykiss): Comparison of basal-level enzyme activities with rat and determination of xenobiotic intrinsic clearance in support of bioaccumulation assessment. Environ Toxicol Chem 28:481-488.
13. Cowan-Ellsberry CE, Dyer SD, Erhardt S, Bernhard MJ, Roe AL, Dowty ME, Weisbrod AV. 2008. Approach for extrapolating in vitro metabolism data to refine bioconcentration factor estimates. Chemosphere 70:1804-1817.
14. Dyer SD, Bernhard MJ, Cowan-Ellsberry C, Perdu-Durand E, Demmerle S, Cravedi J-P. 2008. In vitro biotransformation of surfactants in fish. Part I: Linear alkylbenze sulfonate (C12-LAS) and alcohol ethoxylate (C13EO8). Chemosphere 72:850-862.
15. Gomez CF, Constantine L, Huggett DB. 2010. The influence of gill and liver metabolism on the predicted bioconcentration of three pharmaceuticals in fish. Chemosphere 81:1189-1195.
16. Arnot JA, Gobas FAPC. 2006. A review of bioconcentration factor (BCF) and bioaccumulation factor (BAF) assessments for organic chemicals in fish. Environ Rev 14:257-297.
17. Organization for Economic Co-Operation and Development. 1996. Bioaccumulation: Flow-through fish test. OECD Guideline for the Testing of Chemicals No. 305. Paris, France.
18. American Society for Testing and Materials. 2007. Standard guide for conducting bioconcentration tests with fishes and saltwater bivalve mollusks. E 1022-94. West Conshohocken, PA.
19. Nichols JW, Schultz IR, Fitzsimmons PN. 2006. In vitro-in vivo extrapolation of hepatic biotransformation data for fish. I. A review of methods, and strategies for incorporating intrinsic clearance estimates into chemical kinetic models. Aquat Toxicol 78:74-90.
20. Rowland M, Benet LZ, Graham GG. 1973. Clearance concepts in pharmacokinetics. J Pharmacokinet Biopharm 1:123-136.
21. Wilkinson GR, Shand DG. 1975. A physiological approach to hepatic drug clearance. Clin Pharmacol Ther 18:377-390.
22. Obach RS. 1996. The importance of nonspecific binding in in vitro matrices, its impact on enzyme kinetic studies of drug metabolism reactions, and implications for in vitro-in vivo correlations. Drug Metab Dispos 24:1047-1049.
23. Obach RS. 1997. Nonspecific binding to microsomes: Impact on scale-up of in vitro intrinsic clearance to hepatic clearance as assessed through examination of warfarin, imipramine, and propranolol. Drug Metab Dispos 25:1359-1369.
24. Obach RS. 1999. Prediction of human clearance of twenty-nine drugs from hepatic microsomal intrinsic clearance data: An examination of in vitro half-life approach and nonspecific binding to microsomes. Drug Metab Dispos 27:1350-1359.
25. Austin RP, Barton P, Cockroft SL, Wenlock MC, Riley RJ. 2002. The influence of nonspecific microsomal binding on apparent intrinsic clearance, and its prediction from physicochemical properties. Drug Metab Dispos 30:1497-1503.
26. Escher BI, Cowan-Ellsberry CE, Dyer S, Embry M, Erhardt S, Halder M, Kwon J-H, Johanning K, Oosterwijk MTT, Rutishauser S, Segner H, Nichols J. 2011. Protein and lipid binding parameters in rainbow trout (Oncorhynchus mykiss) blood and liver fractions to extrapolate from an in vitro metabolic degradation assay to in vivo bioaccumulation potential of hydrophobic organic chemicals. Chem Res Toxicol 24:1134-1143.
27. Fitzsimmons PN, Fernandez JD, Hoffman AD, Butterworth BC, Nichols JW. 2001. Branchial elimination of superhydrophobic organic compounds by rainbow trout (Oncorhynchus mykiss). Aquat Toxicol 55:23-34.
28. Barron MG, Tarr BD, Hayton WL. 1987. Temperature-dependence of cardiac output and regional blood flow in rainbow trout, Salmo gairdneri Richardson. J Fish Biol 31:735-744.
29. Nichols JW, McKim JM, Andersen ME, Gargas ML, Clewell HJ III, Erickson RJ. 1990. A physiologically based toxicokinetic model for the uptake and disposition of waterborne organic chemicals in fish. Toxicol Appl Pharmacol 106:433-447.
30. Erickson RJ, McKim JM. 1990. A model for exchange of organic chemicals at fish gills: Flow and diffusion limitations. Aquat Toxicol 18:175-198.
31. Johanning K, Hancock G, Escher B, Adelbayo B, Bernhardt MJ, Dyer S, Eickhoff C, Erhardt S, Johnson R, Halder M, Holden D, Rutishauser S, Segner H, Embry M, Fitzsimmons P, Nichols J. 2012. Assessment of metabolic stability using rainbow trout (Oncorhynchus mykiss) liver S9 fractions. Current Protocols in Toxicology 14.10.1-28.
32. Carlile DJ, Zomorodi K, Houston JB. 1997. Scaling factors to relate drug metabolic clearance in hepatic microsomes, isolated hepatocytes, and the intact liver. Drug Metab Dispos 25:903-911.
33. Wilson ZE, Rostami-Hodjegan A, Burn JL, Tooley A, Boyle J, Ellis SW, Tucker GT. 2003. Inter-individual variability in levels of human microsomal protein and hepatocellularity per gram of liver. Br J Clin Pharmacol 56:433-440.
34. Smith R, Jones RDO, Ballard PG, Griffiths HH. 2008. Determination of microsome and hepatocyte scaling factors for in vitro/in vivo extrapolation in the rat and dog. Xenobiotica 38:1386-1398.
35. Hampton JA, Lantz RC, Hinton DE. 1989. Functional units in rainbow trout (Salmo Gairdneri, Richardson) liver. III. Morphometric analysis of parenchyma, stroma, and component cell types. Am J Anat 185:58-73.
36. Han X, Mingoia RT, Nabb DL, Yang C-H, Snajdr SI, Hoke RA. 2008. Xenobiotic intrinsic clearance in freshly isolated hepatocytes from rainbow trout (Oncorhynchus mykiss): Determination of trout hepatocellularity, optimization of cell concentrations and comparison of serum and serum-free incubations. Aquat Toxicol 89:11-17.
37. Schenkman JB, Jansson I. 1998. Spectral analyses of cytochromes P450. In Phillips IR, Shepard EA, eds, Methods in Molecular Biology, Vol 107-Cytochrome P450 Protocols. Humana, Totowa, NJ, USA, pp 11-18.
38. Schultz IR, Hayton WL. 1999. Interspecies scaling of the bioaccumulation of lipophilic xenobiotics in fish: An example using trifluralin. Environ Toxicol Chem 18:1440-1449.
39. US Environmental Protection Agency. 2003. Methodology for deriving ambient water quality criteria for the protection of human health (2000) Technical support document, Vol 2: Development of national bioaccumulation factors. EPA 822/R-03/030. Washington, DC.
40. Burkhard LP. 2000. Estimating dissolved organic carbon partition coefficients for nonionic organic chemicals. Environ Sci Technol 34:4663-4668.
41. Seth R, Mackay D, Muncke J. 1999. Estimating the organic carbon partition coefficient and its variability for hydrophobic chemicals. Environ Sci Technol 33:2390-2394.
42. Fry FEJ. 1957. The aquatic respiration of fishes. In Brown ME, ed, The Physiology of Fishes, Vol 1. Academic, New York, NY, USA, pp. 1-63.
43. Ultsch GR. 1973. A theoretical and experimental investigation of the relationships between metabolic rate, body size, and oxygen exchange capacity. Respiration Physiology 18:143-160.
44. Mitz SV, Newman MC. 1989. Allometric relationship between oxygen consumption and body weight of mosquitofish, Gambusia affinis. Environ Biol Fishes 24:267-273.
45. Franklin CE, Johnston IA, Crockford T, Kamunde C. 1995. Scaling of oxygen consumption of Lake Magaki tilapia, a fish living at 37°C. J Fish Biol 46:829-834.
46. Fabian Vaca H, White CR. 2010. Environmental modulation of metabolic allometry in ornate rainbowfish Rhadinocentrus ornatus. Biol Lett 6:136-138.
47. Killen SS, Atkinson D, Glazier DS. 2010. The intraspecific scaling of metabolic rate with body mass in fishes depends on lifestyle and temperature. Ecol Lett 13:184-193.
48. Ohlberger J, Mehner T, Staaks G, Hölker F. 2012. Intraspecific temperature dependence of the scaling of metabolic rate with body mass in fishes and its ecological implications. Oikos 121:245-251.
49. Barber MC. 2003. A review and comparison of models for predicting dynamic chemical bioconcentration in fish. Environ Toxicol Chem 22:1963-1992.
50. Barber MC. 2008. Dietary uptake models used for modeling the bioaccumulation of organic contaminants in fish. Environ Toxicol Chem 27:755-777.
51. Brooke DN, Crookes MJ, Merckel DAS. 2012. Methods for predicting the rate constant for uptake of organic chemicals from water by fish. Environ Toxicol Chem 31:2465-2471.
52. Grime K, Riley RJ. 2006. The impact of in vitro binding on in vitro-in vivo extrapolations, projections of metabolic clearance and clinical drug-drug interactions. Curr Drug Metab 7:251-266.
53. Gibaldi M, Perrier D. 1982. Pharmacokinetics. Marcel Dekker, New York, NY, USA.
54. Nichols JW, Bonnell M, Dimitrov SD, Escher BI, Han X, Kramer NI. 2009. Bioaccumulation assessment using predictive approaches. Integr Environ Assess Manag 5:577-597.
55. de Wolf W, Comber M, Bouben P, Gimeno S, Holt M, Léonard M, Lillicrap A, Sijm D, van Egmond R, Weisbrod A, Whale G. 2007. Animal use replacement, reduction, and refinement: Development of an integrated testing strategy for bioconcentration of chemicals in fish. Integr Environ Assess Manag 3:3-17.
56. Schlenk D, Celander M, Gallagher EP, George S, James M, Kullman SW, van den Hurk P, Willett K. 2008. Biotransformation in fishes. In Di Giulio RT, Hinton DE, eds, The Toxicology of Fishes. CRC, Boca Raton, FL, USA, pp 153-234.
57. OW and tissue lipid content as predictors of chemical partitioning to fish tissues. Environ Toxicol Chem 17:1447-1455.