A framework for evaluating the contribution of transformation products to chemical persistence in the environment

Environmental Science and Technology

Volumn 45, Issue 1, 2011, Pages 111-117

  Ng, Carla A ^a   Scheringer, Martin ^a   Fenner, Kathrin ^a,b   Hungerbuhler, Konrad ^a  

^a ETH ZURICH   (Switzerland)

^b SWISS FEDERAL INSTITUTE OF AQUATIC SCIENCE AND TECHNOLOGY   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

BIODEGRADATION PRODUCTS; COMBINATORIAL EXPLOSION; HALF LIVES; PHYSICOCHEMICAL PROPERTY; TEST CASE; TRANSFORMATION PRODUCTS;

BIODEGRADATION; CHEMICALS; DEGRADATION; RADIOACTIVITY;

METADATA;

CHEMICAL COMPOUND;

BIODEGRADATION; DATA SET; ENVIRONMENTAL ASSESSMENT; ENVIRONMENTAL LEGISLATION; EUROPEAN UNION; HALF LIFE; IMPORT; PERSISTENCE; PHYSICOCHEMICAL PROPERTY;

ARTICLE; BIODEGRADATION; BIOTRANSFORMATION; CALCULATION; CHEMICAL ANALYSIS; CONCEPTUAL FRAMEWORK; CONTROLLED STUDY; ENVIRONMENTAL IMPACT; EXPLOSION RISK; GEOMETRY; PHYSICAL CHEMISTRY; POLLUTION;

BIODEGRADATION, ENVIRONMENTAL; BIOTRANSFORMATION; ENVIRONMENTAL MONITORING; ENVIRONMENTAL POLICY; ENVIRONMENTAL POLLUTANTS; ENVIRONMENTAL POLLUTION; EUROPEAN UNION; RISK ASSESSMENT;

EID: 78650688493     PISSN: 0013936X     EISSN: 15205851     Source Type: Journal    
DOI: 10.1021/es1010237     Document Type: Article

References (27)

1. EChA. About REACH. 2007. Available from http://echa.europa.eu/reach-en. asp.
2. Fenner, K.; Canonica, S.; Escher, B. I.; Gasser, L.; Spycher, S.; Tülp, H. C. Developing methods to predict chemical fate and effect endpoints for use within REACH Chimia 2006, 60, 683-690
3. Koch, L.; Ashford, N. A. Rethinking the role of information in chemicals policy: Implications for TSCA and REACH J. Clean Prod. 2006, 14, 31-46
4. Scheringer, M.; Böschen, S.; Hungerbühler, K. Will we know more or less about chemicals under REACH? Chimia 2006, 60, 699-706
5. Alexander, M. Biodegradation of chemicals of environmental concern Science 1981, 211, 132-138
6. Belfroid, A. C.; van Drunen, M.; Beek, M. A.; Schrap, S. M.; van Gestel, C. A. M.; van Hattum, B. Relative risks of transformation products of pesticides for aquatic ecosystems Sci. Total Environ. 1998, 222, 167-183
7. Fenner, K.; Schenker, U.; Scheringer, M. In Handbook of Environmental Chemistry; Vol. 2, Part P; Boxall, A., Ed.; Springer-Verlag: Berlin/Heidelberg, 2008; pp 121-149.
8. Fenner, K.; Scheringer, M.; Hungerbühler, K. Persistence of parent compounds and transformation products in a Level IV multimedia model Environ. Sci. Technol. 2000, 34, 3809-3817
9. Garcia-Reyes, J. F.; Molina-Diaz, A.; Fernandes-Alba, R. Identification of pesticide transformation products in food by liquid chromatography/time of flight mass spectrometry via 'fragmentation-degradation' relationships Anal. Chem. 2007, 79, 307-321
10. Gasser, L.; Fenner, K.; Scheringer, M. Indicators for the exposure assessment of transformation products of micropollutants Environ. Sci. Technol. 2007, 41, 2445-2451
11. Schenker, U.; Scheringer, M.; Hungerbühler, K. Including degradation products of persistent organic pollutants in a global multi-media box model Environ. Sci. Pollut. Res. 2007, 14, 145-152
12. Jaworska, J. S.; Boethling, R.; Howard, P. H. Recent developments in boradly applicable structure-biodegradability relationships Environ. Toxicol. Chem. 2003, 22, 1710-1723
13. USEPA. Exposure Assessment Tools and Models: Estimation Program Interface (EPI) Suite, Version 3.2 (February 2007), 2000.
14. Ellis, L. B.; Gao, J.; Fenner, K.; Wackett, L. P. The University of Minnesota pathway prediction system: predicting metabolic logic Nucleic Acids Res. 2008, 36, W427-432
15. Carreira, L. A.; Hilal, S.; Karickhoff, S. W. In Quantitative Treatment of Solute/Solvent Interactions; Politzer, P.; Murray, J. S., Eds.; Elsevier: Lausanne, 1994.
16. Mannhold, R.; Petrauskas, A. Substructure versus whole-molecule approaches for calculating logP QSAR Comb. Sci. 2003, 22, 466-475
17. Eckert, F.; Klamt, A. Fast solvent screening via quantum chemistry: COSMO-RS approach AIChE J. 2002, 48, 369-385
18. Wittekindt, C.; Goss, K.-U. Screening the partition behavior of a large number of chemicals with a quantum-chemical software Chemosphere 2009, 76, 460-464
19. oc prediction J. Mol. Graph. Modell. 2007, 25, 755-766
20. Dearden, J. F.; Schuurmann, G. Quantitative structure-property relationships for predicting Henry's Law constant from molecular structure Environ. Toxicol. Chem. 2003, 22, 1755-1770
21. Gouin, T.; Cousins, I.; Mackay, D. Comparison of two methods for obtaining degradation half-lives Chemosphere 2004, 56, 531-535
22. Atkinson, R.; Arey, J. Gas-phase tropospheric chemistry of biogenic volatile organic compounds: a review Atmos. Environ. 2003, 197-219
23. Arnot, J.; Gouin, T.; Mackay, D. Practical Methods for Estimating Environmental Biodegradation Rates, Report to Environment Canada; CEMN Report No. 200503; 2005.
24. Fenner, K.; Scheringer, M.; Hungerbühler, K. Joint persistence of transformation products in chemicals assessment: case studies and uncertainty analysis Risk Anal. 2003, 23, 35-53
25. Aronson, D.; Boethling, R.; Howard, P.; Stiteler, W. Estimating biodegradation half-lives for use in chemical screening Chemosphere 2006, 63, 1953-1960
26. Sabljic, A.; Peijnenburg, W. Modeling lifetime and degradability of organic compounds in air, soil, and water systems (IUPAC Technical Report) Pure Appl. Chem. 2001, 73, 1331-1348
27. Peijnenburg, W. J. G. M. Structure-activity relationships for biodegradation: a critical review Pure Appl. Chem. 1994, 66, 1931-1941