Development of a list of reference chemicals for evaluating alternative methods to in vivo fish bioaccumulation tests

Environmental Toxicology and Chemistry

Volumn 33, Issue 12, 2014, Pages 2740-2752

  Rodriguez Sanchez, Neus ^a   Cronin, Mark Timothy David ^a   Lillicrap, Adam ^b   Madden, Judith Clare ^a   Piechota, Przemyslaw ^a   Tollefsen, Knut Erik ^b,c  

^a LIVERPOOL JOHN MOORES UNIVERSITY   (United Kingdom)

^b NORWEGIAN INSTITUTE FOR WATER RESEARCH   (Norway)

^c NORWEGIAN UNIVERSITY OF LIFE SCIENCES   (Norway)

Author keywords

Alternative testing; Bioaccumulation; Bioconcentration; In vitro; Reference list

Indexed keywords

BIOACCUMULATION; BIOMARKERS; FISH;

BIOACCUMULATION TESTS; BIOCONCENTRATION; BIOCONCENTRATION FACTOR; IN-VITRO; METABOLIC PROPERTIES; RAINBOW TROUTS (ONCORHYNCHUS MYKISS); REFERENCE COMPOUNDS; REFERENCE LIST;

METABOLISM;

TOXIC SUBSTANCE; ORGANIC COMPOUND;

BIOACCUMULATION; BIOTRANSFORMATION; CHEMICAL COMPOUND; CYPRINID; DATA SET; METABOLISM; PREDICTION; TOXICITY TEST;

ANIMAL TESTING ALTERNATIVE; ANIMAL TESTING REFINEMENT; ARTICLE; BIOACCUMULATION; BIOTRANSFORMATION; CARP; COMPUTER MODEL; HALF LIFE TIME; HYDROPHOBICITY; METABOLISM; MOLECULAR WEIGHT; NONHUMAN; PRIORITY JOURNAL; RAINBOW TROUT; ANIMAL; CHEMICAL PHENOMENA; CHEMISTRY; KINETICS; THEORETICAL MODEL;

ANIMALIA; CYPRINUS CARPIO; ONCORHYNCHUS MYKISS;

ANIMALS; BIOTRANSFORMATION; CARPS; HALF-LIFE; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; KINETICS; MODELS, THEORETICAL; MOLECULAR WEIGHT; ONCORHYNCHUS MYKISS; ORGANIC CHEMICALS;

EID: 84929134394     PISSN: 07307268     EISSN: 15528618     Source Type: Journal    
DOI: 10.1002/etc.2734     Document Type: Article

References (42)

1. Organisation for Economic Co-operation and Development. 1996. Test No. 305: Bioconcentration-Flow-through fish test. OECD Guidelines for the Testing of Chemicals. Paris, France.
2. Organisation for Economic Co-operation and Development. 2012. Test No. 305: Bioaccumulation in fish aqueous and dietary exposure. OECD Guidelines for the Testing of Chemicals. Paris, France.
3. European Commission. 2006. Regulation (EC) No. 1907/2006 of the European Parliament and Council of 18 December 2006 concerning the registration, evaluation, authorisation and restriction of chemicals (REACH), establishing a European Chemicals Agency, amending Directive 1999/45/EC and repealing Council Regulation (EEC) 793/93 and Commission Regulation (EC) No. 1488/94 as well as Council Directive 76/769/EEC and Commission Directives 91/155/EEC, 93/67/EEC, 93/105/EC and 2000/21/EC. Official J. Eur Union L396:1-849.
4. Russell WMS, Burch RL. 1959. The Principles of Humane Experimental Techniques. Methuen, London, UK.
5. Dearden JC. 2004. QSAR modeling of bioaccumulation. In Cronin MTD, Livingstone DJ, eds, Predicting Chemical Toxicity and Fate. CRC, Boca Raton, FL, USA, pp 333-355.
6. 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.
7. 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.
8. Arnot JA, Gobas FAPC. 2004. A food web bioaccumulation model for organic chemicals in aquatic ecosystems. Environ Toxicol Chem 23:2343-2355.
9. Armitage JM, Arnot JA, Wania F, Mackay D. 2013. Development and evaluation of a mechanistic bioconcentration model for ionogenic organic chemicals in fish. Environ Toxicol Chem 32:115-128.
10. Nichols J, Erhardt S, Dyer S, James M, Moore M, Plotzke K, Segner H, Schultz I, Thomas K, Vasiluk L, Weisbrod A. 2007. Use of in vitro absorption, distribution, metabolism, and excretion (ADME) data in bioaccumulation assessments for fish. Hum Ecol Risk Assess 13:1164-1191.
11. Nendza M, Müller M. 2007. Effects of molecular size and lipid solubility on bioaccumulation potential. FKZ 360 01 043. Final report. Institut Molekularbiologie und Angewandte Oekologie, Schmallenger, Germany.
12. Arnot JA, Arnot MI, Mackay D, Couillard Y, MacDonald D, Bonnell M, Doyle P. 2010. Molecular size cutoff criteria for screening bioaccumulation potential: Fact or fiction? Integr Enviro Assess Manage 6:210-224.
13. Dimitrov S, Dimitrova N, Georgieva D, Vasilev K, Hatfield T, Straka J, Mekenyan O. 2011. Simulation of chemical metabolism for fate and hazard assessment. III. New developments of the bioconcentration factor base-line model. SAR QSAR Environ Res 23:17-36.
14. Arnot JA, Meylan W, Tunkel WJ, 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.
15. Arnot JA, Mackay D, Bonnell M. 2008. Estimating metabolic biotransformation rates in fish from laboratory data. Environ Toxicol Chem 27:341-351.
16. Arnot JA, Mackay D, Parkerton TF, Bonnell M. 2008. A database of fish biotransformation rates for organic chemicals. Environ Toxicol Chem 27:2263-2270.
17. Brown TN, Arnot JA, Wania F. 2012. Iterative fragment selection: A group contribution approach to predicting fish biotransformation half-lives. Environ Sci Technol 46:8253-8260.
18. Nichols JW, Schultz IR, Fitzsimmons PN. 2006. In vitro-in vivo extrapolation of quantitative 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.
19. Nichols JW, Fitzsimmons PN, Burkhard LP. 2007. In vitro-in vivo extrapolation of quantitative hepatic biotransformation data for fish. II. Modeled effects on chemical bioaccumulation. Environ Toxicol Chem 26:1304-1319.
20. Johanning K, Hancock G, Escher B, Adekola A, Bernhard MJ, Cowan-Ellsberry C, Domoradzki J, Dyer S, Eickhoff C, Embry M, Erhardt S, Fitzsimmons P, Halder M, Hill J, Holden D, Johnson R, Rutishauser S, Segner H, Schultz I, Nichols J. 2012. Assessment of metabolic stability using the rainbow trout (Oncorhynchus mykiss) liver S9 fraction. In Current Protocols in Toxicology. Wiley, Hoboken, NJ, USA, pp 1-28.
21. Baron MG, Purcell WM, Jackson SK, Owen SF, Jha AN. 2012. Towards a more representative in vitro method for fish ecotoxicology: Morphological and biochemical characterisation of 3-dimensional spheroidal hepatocytes. Ecotoxicology 21:2419-2429.
22. European Chemicals Agency. 2008. Guidance on information requirements and chemicals safety assessment. Chapter R.7C: Endpoint specific guidance. Guidance for the implementation of REACH. Helsinki, Finland.
23. Fay KA, Mingoia RT, Goeritz I, Nabb DL, Hoffman AD, Ferrell BD, Peterson HM, Nichols JW, Segner H, Han X. 2014. Intra- and interlaboratory reliability of a cryopreserved trout hepatocyte assay for the prediction of chemical bioaccumulation potential. Environ Sci Technol 48:8170-8178.
24. Balls M, Blaauboer BJ, Fentem JH, Bruner L, Robert CD. 1995. Practical aspects of the validation of toxicity test procedures. ATLA-Altern Lab Anim 23:129-147.
25. Nabb DL, Szostek B, Himmelstein MW, Mawn MP, Gargas ML, Sweeney LM, Stadler JC, Buck RC, Fasano WJ. 2007. In vitro metabolism of 8-2 fluorotelomer alcohol: Interspecies comparison and metabolic pathway refinement. Toxicol Sci 100:333-344.
26. Schlenk D, Celander M, Gallagher EP, George S, James M, Kullman SW, van den Hurk P, Willett K. 2008. Biotransformation in fishes. In Giulio RT, Hinton DE, eds, The Toxicology of Fishes. CRC, Boca Raton, FL, USA, pp 53-234.
27. Sijm DTHM, Rikken MGJ, Rorije E, Trass TP, McLachlan MS, Peijnenburg WJGM. 2007. Transport, accumulation and transformation processes. In Van Leeuwen CJ, ed, Risk Assessment of Chemicals: An Introduction. Springer, Dordrecht, The Netherlands, pp 73-158.
28. Arnot JA, Gobas FAPC. 2006. A review of bioconcentration factor (BCF) and bioaccumulation factor (BAF) assessments for organic chemicals in aquatic organisms. Environ Rev 14:257-297.
29. Versonnen B, Jeliazkova-Nikolova N, Arijs K, Iaccino F, Vangheluwe M. 2006. Establishing a fish bioconcentration factor gold standard database. European Chemical Industry Council Long-range Research Initiative. [cited 2014 April 11]. Available from: http://www.cefic-lri.org/lri-toolbox/bcf.
30. Piechota P, Cronin MTD, Hewitt M, Madden JC. 2013. Pragmatic approaches to using computational methods to predict xenobiotic metabolism. J Chem Inf Model 53:1282-1293.
31. Bintein S, Devillers J, Karcher W. 1993. Nonlinear dependence of fish bioconcentration on n-octanol/water partition coefficient. SAR QSAR Environ Res 1:29-39.
32. Nendza M, Aldenberg T, Benfenati E, Benigni R, Cronin MTD, Escher S, Fernandez A, Gabbert S, Giralt F, Hewitt M, Hrovat M, Jeram S, Kroese D, Madden JC, Mangelsdorf I, Rallo R, Roncaglioni A, Rorije E, Segner H, Simon-Hettich B, Vermeire T. 2010. Data quality assessment for in silico methods: A survey of approaches and needs. In Cronin MTD, Madden JC, eds, In Silico Toxicology: Principles and Applications. Royal Society of Chemistry, Cambridge, UK, pp 59-117.
33. Leach AR, Gillet VJ. 2003. An Introduction to Chemoinformatics. Kluwer Academic, Dordrecht, The Netherlands, pp 123-145.
34. Schirmer K, Tanneberger K, Kramer NI, Völker D, Scholz S, Hafner C, Lee LEJ, Bols NC, Hermens JLM. 2008. Developing a list of reference chemicals for testing alternatives to whole fish toxicity tests. Aquat Toxicol 90:128-137.
35. Pazos P, Pellizzer C, Stummann TC, Hareng L, Bremer S. 2010. The test chemical selection procedure of the European Centre for the Validation of Alternative Methods for the EU Project ReProTect. Reprod Toxicol 30:161-199.
36. Weisbrod AV, Burkhard LP, Arnot JA, Mekenyan O, Howard PH, Russom C, Boethling R, Sakuratani Y, Traas T, Bridges T, Lutz C, Bonnell M, Woodburn K, Parkerton T. 2007. Workgroup report: Review of fish bioaccumulation databases used to identify persistent, bioaccumulative, toxic substances. Environ Health Perspect 115:255-261.
37. Roberts SC, Noyes PD, Gallagher EP, Stapleton HM. 2011. Species-specific differences and structure-activity relationships in the debromination of PBDE congeners in three fish species. Environ Sci Technol 45:1999-2005.
38. Fisk AT, Norstrom RJ, Cymbalisty CD, Muir DCG. 1998. Dietary accumulation and depuration of hydrophobic organochlorines: Bioaccumulation parameters and their relationship with the octanol/water partition coefficient. Environ Toxicol Chem 17:951-961.
39. Feng C, Xu Y, He Y, Luo Q, Zha J, Wang Z. 2010. Debrominated and methoxylated polybrominated diphenyl ether metabolites in rainbow trout (Oncorhynchus mykiss) after exposure to decabromodiphenyl ether. J Environ Sci 22:1425-1434.
40. Lazartigues A, Thomas M, Brun-Bellut J, Feidt C. 2010. Bioaccumulation of PAHs and their hydroxylated metabolites in common carp (Cyprinus carpio Linnaeus 1758) in controlled environment. Polycycl Aromat Comp 30:141-152.
41. Stapleton HM, Letcher RJ, Li J, Baker JE. 2004. Dietary accumulation and metabolism of polybrominated diphenyl ethers by juvenile carp (Cyprinus carpio). Environ Toxicol Chem 23:1939-1946.
42. Riedl J, Altenburger R. 2007. Physicochemical substance properties as indicators for unreliable exposure in microplate-based bioassays. Chemosphere 67:2210-2220.