Improved method for estimating bioconcentration/bioaccumulation factor from octanol/water partition coefficient

Environmental Toxicology and Chemistry

Volumn 18, Issue 4, 1999, Pages 664-672

  Meylan, William M ^a   Howard, Philip H ^a   Boethling, Robert S ^b   Aronson, Dallas ^a   Printup, Heather ^a   Gouchie, Sybil ^a  

^a SYRACUSE RESEARCH CORPORATION   (United States)

^b U S ENVIRONMENTAL PROTECTION AGENCY   (United States)

Author keywords

Bioconcentration; Bioconcentration factor; Estimation; Octanol water partition coefficient

Indexed keywords

HEXACHLOROBENZENE; MERCURY; OCTANOL; TIN; WATER;

ALGORITHM; AQUATIC FAUNA; ARTICLE; BIOACCUMULATION; CARP; CHEMICAL STRUCTURE; MATHEMATICAL ANALYSIS; PARTITION COEFFICIENT; PRIORITY JOURNAL; RAINBOW TROUT;

ANIMALIA; CYPRINUS CARPIO; ONCORHYNCHUS MYKISS; SALMONIDAE;

EID: 0033037957     PISSN: 07307268     EISSN: None     Source Type: Journal    
DOI: 10.1002/etc.5620180412     Document Type: Article

References (51)

1. Barron MG. 1990. Bioconcentration. Environ Sci Technol 24: 1612-1618.
2. Bysshe SE. 1982. Bioconcentration factor in aquatic organisms. In Lyman WJ, Reehl WF, Rosenblatt DH, eds. Handbook of Chemical Property Estimation Methods. McGraw-Hill, New York, NY, USA, pp 5-1, 5-30.
3. U.S. Environmental Protection Agency. 1997. Exposure Factors Handbook. EPA/600/P-95/002F. Washington, DC.
4. U.S. Environmental Protection Agency. 1992. Guidelines for exposure assessment. Fed Reg 57:22888-22938.
5. U.S. Environmental Protection Agency. 1996. Fish BCF, OPPTS 850.1730. EPA/712-C-96-129. Draft. Washington, DC.
6. U.S. Environmental Protection Agency. 1996. Oyster BCF, OPPTS 850.1710. EPA/712-C-96-127. Draft Report. Washington, DC.
7. European Centre for Ecotoxicology and Toxicology of Chemicals. 1996. The Role of bioaccumulation in environmental risk assessment: The aquatic environment and related food webs. Technical Report 67. ECETOC, Brussels, Belgium.
8. Ministry of Environment and Energy for Ontario. 1992. Candidate substances list for bans or phase-outs. Ontario, Canada.
9. U.S. Environmental Protection Agency. 1997. Waste minimization prioritization tool, beta test version 1.0, user's guide and system documentation. EPA/530-R-97-019. Draft Report. Washington, DC.
10. Veith GD, DeFoe DL, Bergstedt BV. 1979. Measuring and estimating the bioconcentration factor of chemicals in fish. J Fish Res Board Can 36:1040-1048.
11. Veith GD, Macek KJ, Petrocelli SR, Carroll J. 1980. An evaluation of using partition coefficients and water solubility to estimate bioconcentration factors for organic chemicals in fish. In Eaton JG, Parrish PR, Hendricks AC, eds, Aquatic Toxicology. STP 707. American Society for Testing and Materials, Philadelphia, PA, pp 116-129.
12. Mackay D. 1982. Correlation of bioconcentration factors. Environ Sci Technol 16:274-278.
13. Isnard P, Lambert S. 1988. Estimating bioconcentration factors from octanol-water partition coefficient and aqueous solubility. Chemosphere 17:21-34.
14. Veith GD, Kosian P. 1983. Estimating bioconcentration potential from octanol/water partition coefficients. In Mackay D, et al, eds, Physical Behavior of PCBs in the Great Lakes. Ann Arbor Science, Ann Arbor, MI, USA, pp 269-282.
15. 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.
16. Connell DW, Hawker DW. 1988. Use of polynomial expressions to describe the bioconcentration of hydrophobic chemicals by fish. Ecotoxicol Environ Saf 16:242-257.
17. Bintein S, Devillers J, Karcher W. 1993. Nonlinear dependence of fish bioconcentration on n-octanol/water partition coefficient. SAK QSAR Environ Res 1:29-39.
18. Kubinyi H. 1979. Nonlinear dependence of biological activity on hydrophobic character: The bilinear model. Farmaco 34:247-276.
19. U.S. Environmental Protection Agency. 1995. Aquatic Toxicity Information Retrieval AQUIRE Database. Duluth, MN.
20. Chemicals Inspection and Testing Institute, Japan. 1992. Data of Existing Chemicals Based on the CSCL, Japan. Japan Chemical Industry Ecology and Toxicology Information Center, Tokyo, Japan.
21. National Institutes of Health. 1995. Hazardous Substances Data Bank. HSDB Database. National Library of Medicine, Bethesda, MD, USA.
22. Howard PH, Sage GW, LaMacchia A, Colb A. 1982. The development of an environmental fate database. J Chem Inf Comput Sci 22:38-44.
23. Howard PH, et al. 1986. BIOLOG, BIODEG, and FATE/EXPOS: New files on microbial degradation and toxicity as well as environmental fate/exposure of chemicals. Environ Toxicol Chem 5:977-988.
24. Hansch C, Leo A. 1985. MEDCHEM Project, Ver. 26. Pomona College, Claremont, CA, USA.
25. Sangster J. 1993. LOGKOW DATABANK. Sangster Research Laboratories, Montreal, PQ, Canada.
26. Meylan WM, Howard PH. 1995. Atom/fragment contribution method for estimating octanol-water partition coefficients. J Pharm Sci 84:83-92,
27. Howard PH, Meylan WM. 1997. Handbook of Physical Properties of Organic Chemicals. CRC, Boca Raton, FL, USA.
28. Perrin DD. 1965. Dissociation Constants of Organic Bases in Aqueous Solution. IUPAC Chemical Data Series. Butterworth, London, UK.
29. Perrin DD. 1972. Dissociation Constants of Organic Bases in Aqueous Solution. IUPAC Chemical Data Series, Supplement 1972. Butterworth, London, UK.
30. Serjeant EP, Dempsey B. 1979. Ionisation Constants of Organic Acids in Aqueous Solution. IUPAC Chemical Data Series 23. Pergamon, New York, NY, USA.
31. Dean JA. 1987. Handbook of Organic Chemistry. McGraw-Hill, New York, NY, USA.
32. Lide DR. 1994. Handbook of Chemistry and Physics, 75th ed. CRC, Boca Raton, FL, USA.
33. a Prediction Module: pKalc 3.1 Program. Budapest, Hungary.
34. a, Windows™ Prototype, Ver. 1.0. U.S. Environmental Protection Agency, Athens, GA.
35. Molecular Design Limited Information Systems. 1996. ISIS™/ Base 2.0 Program. San Leandro, CA, USA.
36. CoHort Software. 1992. CoStat Statistical Software, Ver. 4.10. Berkeley, CA, USA.
37. Schüürmann G, Klein W. 1988. Advances in bioconcentration prediction. Chemosphere 17:1551-1574.
38. Gobas FAPC, Clark KE, Shiu WY, Mackay D. 1989. Bioconcentration of polybrominated benzenes and biphenyls and related superhydrophobic chemicals in fish: Role of bioavailability and elimination into the feces. Environ Toxicol Chem 8:231-245.
39. Geyer HJ, Muir DCG, Scheunert I, Steinberg CEW, Kettrup AAW. 1992. Bioconcentration of octachlorodibenzo-p-dioxin (OCDD) in fish. Chemosphere 25:1257-1264.
40. Thomann RV, Connolly JP. 1984. Model of PCB in the Lake Michigan lake trout food chain. Environ Sci Technol 18:65-71.
41. 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.
42. Maruya KA, Lee RF. 1998. Aroclor 1268 and toxaphene in fish from a southeastern US estuary. Environ Sci Technol 32:1069-1075.
43. Kannan K, Nakata H, Stafford R, Masson GR, Tanabe S, Giesy JP. 1998. Bioaccumulation and toxic potential of extremely hydrophobic polychlorinated biphenyl congeners in biota collected at a Superfund site contaminated with Aroclor 1268. Environ Sci Technol. 32:1214-1221.
44. Devillers J, Bintein S, Domine D. 1996. Comparison of BCF models based on log P. Chemosphere 33:1047-1065.
45. Tsuda T, Kojima M, Harada H, Nakajima A, Aoki S. 1997. Relationships of bioconcentration factors of organophosphate pesticides among species of fish. Comp Biochem Physiol C 116:213-218.
46. James MO. 1994. Pesticide metabolism in aquatic organisms. Chem Plant Prot 9:153-189.
47. Spacie A, Landrum PF, Leversee GJ. 1983. Uptake, depuration, and biotransformation of anthracene and benzo(a)pyrene in blue-gill sunfish. Ecotoxicol Environ Saf 7:330-341.
48. De Wolf W, Seinen W, Opperhuizen A, Hermens JLM. 1992. The influence of biotransformation on the relationship between bioconcentration factors and octanol-water partition coefficients. Environ Sci Technol 26:1197-1201.
49. De Bruijn J, Seinen W, Hermens J. 1993. Biotransformation of organophosphorus compounds by rainbow trout (Oncorhynchus mykiss) liver in relation to bioconcentration. Environ Toxicol Chem 12:1041-1050.
50. Sijm DTHM, Wever H, Opperhuizen A. 1993. Congener-specific biotransformation and bioaccumulation of PCDDs and PCDFs from fly ash in fish. Environ Sci Technol 12:1895-1907.
51. Saarikoski J, Viluksela M. 1982. Relation between physicochemical properties of phenols and their toxicity and accumulation in fish. Ecotoxicol Environ Saf 6:501-512.