Technical Report 120


Abraham MH, Nielsen GD, Alarie Y. 1994. The Ferguson Principle and an analysis of biological activity of gases and vapors. J Pharm Sci 83(5):680-688.
Barron MG, Anderson MJ, Lipton J, Dixon DG. 1997. Evaluation of critical body burden QSARs for predicting organic chemical toxicity to aquatic organisms. SAR QSAR Environ Res 6:47-62.
Barron MG, Hansen JA, Lipton J. 2002. Association between contaminant tissue residues and effects in aquatic organisms. Review of Environmental Contamination and Toxicology 173:1-37.
Chopelet J, Blier PU, Dufresne F. 2008. Plasticity of growth rate and metabolism in Daphnia magna populations from different thermal habitats. J Exp Zool A Ecol Genet Physiol 309(9):553-562.
Cole JG, Mackay D. 2000. Correlating environmental partitioning properties of organic compounds: The three solubility approach. Environ Toxicol Chem 19(2):265-270.
Department of Fish and Game, California. 1998. Hazard assessment of the insecticide Malathion to aquatic life in the Sacramento-San Joaquin river system. Office of Spill prevention and Response Aministrative Report 98/2
Di Toro, DM, McGrath, JA, Hansen, DJ. 2000. Technical basis for narcotic chemicals and polycyclic aromatic hydrocarbon criteria. I. Water and tissue. Environ Toxicil Chem 19 :1951-1970Di Toro DM, Zarba CS, Hansen DJ, Berry WJ, Swartz RC, Cowan CE, Pavlou SP, Allen HE, Thomas NA, Paquin PR. 1991. Technical basis for establishing sediment quality criteria for nonionic organic chemicals using equilibrium partitioning. Environ Toxicol Chem 10(12):1541-1583.
EC. 2006. Regulation (EC) No 1907/2006 of the European Parliament and of the Council of 18th 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) No 793/93 and Commission Regulation (EC) No 1488/94.
ECETOC. 2003. Aquatic hazard assessment II. Technical Report No 91. European Centre for Ecotoxicology and Toxicology of Chemicals, Brussels, Belgium.
ECETOC. 2005. Risk assessment of PBT chemicals. Technical Report No 98. European Centre for Ecotoxicology and Toxicology of Chemicals, Brussels, Belgium.
ECETOC. 2013. Activity-based relationships for aquatic ecotoxicology data: Use of the activity approach to strengthen MoA predictions. Technical Report No 120. European Centre for

Ecotoxicology and Toxicology of Chemicals, Brussels, Belgium.

Engraff M, Solere C, Smith KEC, Mayer P, Dahllöf I. 2011. Aquatic toxicity of PAHs and PAH mixtures at saturation to benthic amphipods: Linking toxic effects to chemical activity. Aquat Toxicol 102(3):142-149.

Enoch SJ, Hewitt M, Cronin MT, Azam S, Madden JC. 2008. Classification of chemicals according to mechanism of aquatic toxicity: An evaluation of the implementation of the Verhaar scheme in Toxtree. Chemosphere 73(3):243-248.

Escher BI, Fenner K. 2011. Recent advances in the environmental risk assessment of transformation products.

Environ Sci Technol 45(9):3835-3847.

Escher BI, Hermens JLM. 2002. Modes of action in ecotoxicology: Their role in body burdens, species sensitivity, QSARs, and mixture effects. Environ Sci Technol 36(20):4201-4217.

Ferguson J. 1939. The use of chemical potentials as indices of toxicity. Proc R Soc Lond B 127(848):387-404.

Guan R, Wang W-X. 2006. Multiphase biokinetic modeling of cadmium accumulation in Daphnia magna from dietary and aqueous sources. Environ Toxicol Chem 25(11):2840-2846.

Hermans JLM. 1990. Electrophiles and acute toxicity to fish. Environ Health Perspect 87:219-225

Jahnke A, Mayer P, Adolfsson-Erici M, McLachlan MS. 2011. Equilibrium sampling of environmental pollutants in fish: Comparison with lipid normalised concentrations and homogenisation effects on chemical activity. Environ Toxicol Chem 30(7):1515-1521.

Kipka U, Di Toro DM. 2009. Technical basis for polar and nonpolar narcotic chemicals and polycyclic aromatic hydrocarbon criteria. III. A polyparameter model for target lipid partitioning. Environ Toxicol Chem 28(7):1429-1438.

Klimisch HJ, Andreae M, Tillmann U. 1997. A systematic approach for evaluating the quality of experimental toxicological and ecotoxicological data. Regul Toxicol Pharmacol 25(1):1-5.

Mackay D. 2001. Multimedia environmental models: The fugacity approach. 2nd edition, Lewis Publishers, CRC Press, Boca Raton, FL, USA.

Mackay D, Arnot JA. 2011. The application of fugacity and activity to simulating the environmental fate of organic contaminants. J Chem Eng Data 56:1348-1355.

Mackay D, Puig H, McCarty LS. 1992. An equation describing the time course and variability in uptake and toxicity of narcotic chemicals to fish. Environ Toxicol Chem 11(7):941-951.

Mackay D, Arnot JA, Petkova EP, Wallace KB, Call DJ, Brooke LT, Veith GD. 2009. The physicochemical basis of QSARs for baseline toxicity. SAR QSAR Environ Res 20(3-4):393-414.

Mackay D, Arnot JA, Wania F, Bailey RE. 2011. Chemical activity as an integrating concept in environmental assessment and management of contaminants. Environ Assess Manag 7(2):248-255.

Mayer P, Holmstrup M. 2008. Passive dosing of soil invertebrates with polycyclic aromatic hydrocarbons: Limited chemical activity explains toxicity cutoff. Environ Sci Technol 42(19):7516-7521.

Mayer P, Reichenberg F. 2006. Can highly hydrophobic organic substances cause aquatic baseline toxicity and can they contribute to mixture toxicity? Environ Toxicol Chem 25(10):2639-2644.

Mayer P, Toräng L, Glæsner N, Jönsson JÅ. 2009. Silicone membrane equilibrator: Measuring chemical activity of nonpolar chemicals with poly(dimethylsiloxane) microtubes immersed directly in tissue and lipids. Anal Chem 81(4):1536-1542.

McCarty LS, Arnot JA, Mackay D. 2013. Evaluation of critical body residue data for acute narcosis in aquatic orgnisms. Environ Toxicol Chem 32(10):2301-2314.

McCarty LS, Mackay D. 1993. Enhancing ecotoxicological modeling and assessment. Environ Sci Technol 27(9):1719-1728.

McGrath JA, Parkerton TF, Hellweger FL, Di Toro DM. 2005. Validation of the narcosis target lipid model for petroleum products: Gasoline as a case study. Environ Toxicol Chem 24(9):2382-2394.

McGrath JA, Di Toro DM. 2009. Validation of the target lipid model for toxicity assessment of residual petroleum constituents: Monocyclic and polycyclic aromatic hydrocarbons. Environ Toxicol Chem 28(6):1130-1148.

Meador JP, Adams WJ, Escher BI, McCarty LS, McElroy AE, Sappington KG. 2011. The tissue residue approach for toxicity assessment: findings and critical reviews from a Society of Environmental Toxicology and Chemistry Pellston Workshop. Integr Environ Assess Manag 7(1):2-6.

Nelson RD Jr, Lide DR Jr, Maryott AA. 1967. Selected values of electric dipole moments for molecules in the gas phase.NSRDS-NBS 10. National Standard Reference Data System (NSRDS-NBS), Gaithersburg, MD, USA.

OECD. 1992. OECD Guideline for the Testing of Chemicals.Test No 203: Fish acute toxicity test. Organisation for Economic Co-operation and Development, Paris, France.

OECD. 2004. OECD Guideline for the Testing of Chemicals. Test No 202: Daphnia sp. Acute immobilisation test. Organisation for Economic Co-operation and Development, Paris, France.

OECD. 2008. OECD Guideline for the Testing of Chemicals. Test No. 211: Daphnia magna Reproduction Test. Organisation for Economic Co-operation and Development, Paris, France.

OECD. 2011. OECD Guideline for the Testing of Chemicals. Test No 201: Freshwater alga and cyanobacteria growth inhibition test. Organisation for Economic Co-operation and Development, Paris, France.

OECD. 2012. OECD Guidelines for the Testing of Chemicals. Test No. 305: Bioaccumulation in Fish: Aqueous and Dietary Exposure. Organisation for Economic Co-operation and Development, Paris, France.

Parkerton TF, Arnot JA, Weisbrod AV, Russom C, Hoke RA, Woodburn K, Traas T, Bonnell M, Burkhard LP, Lampi MA. 2008. Guidance for evaluating in vivo fish bioaccumulation data. Integr Environ Assess Manag 4(2):139-155.

Patlewicz G, Jeliazkova N, Safford RJ, Worth AP, Aleksiev B. 2008. An evaluation of the implementation of the Cramer classification scheme in the Toxtree software. SAR QSAR Environ Res 19(5-6):495-524.

Rang HP, Dale MM, Ritter JM, Moore PK. 2003. Pharmacology – 5th edition. Churchill Livingstone Edinburgh, UK, pp 797.

Redman AD, McGrath JA, Febbo E, Parkerton TF, Letinski D, Connelly M, Winkelmann D, Di Toro DM. 2007. Application of the target lipid model for deriving predicted no-effect concentrations for wastewater organisms. Environ Toxicol Chem 26(11):2317-2331.

Redman AD, Parkerton TF, McGrath JA, Di Toro DM. 2012. PETROTOX: An aquatic toxicity model for petroleum substances. Environ Toxicol Chem 31(11):2498-2506.

Reichenberg F, Mayer P. 2006. Two complementary sides of bioavailability: Accessibility and chemical activity of organic contaminants in sediments and soils. Environ Toxicol Chem 25(5):1239-1245.

Roberts DW, Costello JF. 2003. Mechanisms of action for general and polar narcosis: A difference in dimension. QSAR Comb Sci 22(2):226-233.

Russell WMS Burch RL. 1959. The Principles of Humane Experimental Techniques. Methuen, London, UK.

Russom CL, Bradbury SP, Broderius SJ, Hammermeister DE, Drummond RA. 1997. Predicting modes of toxic action from chemical structure: Acute toxicity in the fathead minnow (Pimephales promelas). Environ Toxicol Chem 16(5):948-967.

Schmidt SN, Holmstrup M, Smith KEC, Mayer P. 2013. Passive dosing of polycyclic aromatic hydrocarbon (PAH) mixtures to terrestrial springtails: Linking mixture toxicity to chemical activities, equilibrium lipid concentrations, and toxic units. Environ Sci Technol (in press DOI: 10.1021/es3047813)

Schwarzenbach RP, Gschwend PM, Imboden DM. 2003. Environmental Organic Chemistry. 2nd edition, Wiley-Interscience, New York, NY, USA.

Sijm DTHM, Hermens JLM. 2000. Internal effect concentrations: Link between bioaccumulation and ecotoxicity for organic chemicals. In Beek B, ed, The Handbook of environmental chemistry - Vol 2-J. Bioaccumulation: New aspects and developments. Springer-Verlag, Berlin Germany, pp167-199.

Smith KEC, Oostingh GJ, Mayer P. 2010. Passive dosing for producing defined and constant exposure of hydrophobic organic compounds during in vitro toxicity tests. Chem Res Toxicol 23(1):55-65.

Smith KEC, Schmidt SN, Dom N, Blust R, Holmstrup M, Mayer P. 2013. Baseline toxic mixtures of non-toxic chemicals: “Solubility addition” increases exposure for solid hydrophobic chemicals. Environ Sci Technol 47(4):2026-2033.

Spacie A, Hamelink JL. 1982. Alternative models for describing the bioconcentration of organics in fish. Environ Toxicol Chem 1(4):309-320.

Su L, Fu L, He J, Qin W, Sheng L, Abraham MH, Zhao YH. 2012. Comparison of Tetrahymena pyriformis toxicity based on hydrophobicity, polarity, ionization and reactivity of class-based compounds. SAR QSAR Environ Res 23(5-6):537-552.

Thomas et al.

Thompson RS, Stewart KM. 2003. Critical body burdens: A review of the literature and identification of experimental data requirements. Report to Cefic LRi BL7549/B. Brixham Environmental Laboratory, AstaZeneca, Brixham, Devon, UK

US EPA. 2009. User’s Guide and Technical Documentation: KABAM Version 1.0 (KOW (based) Aquatic BioAccumulation Model).

US EPA. 2011. Estimation programs Interface (EPI). Suite for Microsoft Windows, October, 2011. Washington, DC, USA.

Vaes WHJ, Ramos EU, Verhaar HJM, Hermens JLM. 1998. Acute toxicity of nonpolar versus polar narcosis: Is there a difference? Environ Toxicol Chem 17(7):1380-1384.

Veith GD, Call DJ, Brooke LT. 1983. Structure-toxicity relationships for the fathead minnow, Pimephales promelas: Narcotic industrial chemicals. Can J Fish Aquat Sci 40(6):743-748.

Verhaar HJM, van Leeuwen CJ, Hermens JLM. 1992. Classifying environmental pollutants. 1: Structure-activity relationships for prediction of aquatic toxicity. Chemosphere 25(4):471-491.
Verhaar HJM, Solbé JF, Speksnijder J, van Leeuwen CJ, Hermens JLM. 2000. Classifying environmental pollutants: Part 3. External validation of the classification system.Chemosphere 40(8):875-883.

Xiao H, Wania F. 2003. Is vapor pressure or the octanol-air partition coefficient a better descriptor of the partitioning between gas phase and organic matter? Atmos Environ 37(20):2867-2878.

Yalkowsky SH, Orr RJ, Valvani SC. 1979. Solubility and Partitioning. 3. The solubility of halobenzenes in water. Ind Eng Chem Fund 18(4):351-353.