192
Views
8
CrossRef citations to date
0
Altmetric
Original Articles

Screening for low aquatic bioaccumulation (2): physico-chemical constraints

&
Pages 351-364 | Received 30 Aug 2010, Accepted 21 Oct 2010, Published online: 18 May 2011

References

  • European Commission, Regulation (EC) No 1907/2006 of The European Parliament and of The 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) No 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, Brussels, Belgium, 2006
  • Dearden , JC . 2004 . “ QSAR modeling of bioaccumulation ” . In Predicting Chemical Toxicity and Fate , Edited by: Cronin , MTD and Livingstone , DJ . 333 – 355 . Boca Raton, FL : CRC Press .
  • Nendza , M . 1998 . Structure–Activity Relationships in Environmental Sciences , London : Chapman & Hall .
  • Nichols , JW , Bonnell , M , Dimitrov , S , Escher , BI , Han , X and Kramer , NI . 2009 . Bioaccumulation assessment using predictive approaches . Integr. Environ. Assess. Manag. , 5 : 577 – 597 .
  • Pavan , M , Netzeva , TI and Worth , AP . 2008 . Review of literature-based quantitative structure–activity relationship models for bioconcentration . QSAR Combi. Sci. , 27 : 21 – 31 .
  • ILSI HESI/JRC/SETAC-EU, Workshop on Bioaccumulation Assessments, Dutch Congress Centre, The Hague, The Netherlands, 5–6 May 2006
  • OECD Guidelines for Testing of Chemicals, 305, Bioconcentration: Flow-through Fish Test, OECD, Paris, France, 1996
  • Arnot , JA and Gobas , FAPC . 2003 . A generic QSAR for assessing the bioaccumulation potential of organic chemicals in aquatic food webs . QSAR Combi. Sci. , 22 : 337 – 345 .
  • Sijm , DTHM , Rikken , MGJ , Rorije , E , Traas , TP , McLachlan , MS and Peijnenburg , WJGM . 2007 . “ Transport, accumulation and transformation processes ” . In Risk Assessment of Chemicals: An Introduction, , 2nd , Edited by: Leeuwen , CJvan and Vermeire , TG . 73 – 158 . Dordrecht : Springer .
  • Gobas , FAPC , de Wolf , W , Burkhard , LP , Verbruggen , EMJ and Plotzke , K . 2009 . Revisiting bioaccumulation criteria for POPs and PBT assessments . Integr. Environ. Assess. Manag. , 5 : 624 – 637 .
  • Nendza , M and Müller , M . 2010 . Screening for low aquatic bioaccumulation (1): Lipinski's ‘Rule of 5’ and molecular size . SAR QSAR Environ. Res. , 21 : 495 – 512 .
  • Nendza , M and Müller , M . Literature study: Effects of molecular size and lipid solubility on bioaccumulation potential. Umweltbundesamt, Dessau, Germany, 2007. Available at http://www.reach-info.de/dokumente/bcf.pdf
  • Dimitrov , S , Dimitrova , N , Parkerton , T , Comber , M , Bonnell , M and Mekenyan , OG . 2005 . Base-line model for identifying the bioaccumulation potential of chemicals . SAR QSAR Environ. Res. , 16 : 531 – 554 .
  • Lipinski , CA , Lombardo , F , Dominy , BW and Feeney , PJ . 1997 . Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings . Adv. Drug Deliv. Rev. , 23 : 3 – 25 .
  • EURAS, CEFIC LRI Goldstandard Database, 2007. Available at http://ambit.acad.bg/ambit/php/euras.php
  • EPA , US and Suite , EPI . v4.0, 2009. Available at http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
  • University of Georgia, SPARC on-line calculator, 2002. Available at http://ibmlc2.chem.uga.edu/sparc/
  • European Communities, Technical guidance document on risk assessment in support of Commission Directive 93/67/EEC on risk assessment for new notified substances, Commission Regulation (EC) No. 1488/94 on risk assessment for existing substances, Directive 98/8/EC of the European Parliament and of the Council concerning the placing of biocidal products on the market. European Commission, Joint Research Centre, Ispra, Italy, 2003
  • ECHA, Guidance on information requirements and chemical safety assessment, Chapter R.11: PBT assessment, 2008. Available at http://guidance.echa.europe.eu/docs/guidance_document/information_requirements_r11_en.pdf?vers=20_08_08
  • Mannhold , R , Poda , GI , Ostermann , C and Tetko , IV . 2009 . Calculation of molecular lipophilicity: State-of-the-art and comparison of log P methods on more than 96,000 compounds . J. Pharm. Sci. , 98 : 861 – 893 .
  • Royal Society of Chemistry (RSC), ChemSpider. Available at http://www.chemspider.com/
  • EPA , US . T.E.S.T. v.3.3. Available at http://www.epa.gov/nrmrl/std/cppb/qsar/index.html

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.