| Estimated bioconcentration factors (BCFs) for the C(4) through C(8) perfluorinated alkylsulfonic acid (PFSA) and alkylcarboxylic acid (PFCA) congeners. | |
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MedLine Citation:
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PMID: 19337923 Owner: NLM Status: MEDLINE |
Abstract/OtherAbstract:
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Bioconcentration factors (BCFs) were estimated for all congeners in each of the C(4) through C(8) homologue groups for perfluorinated alkylsulfonic acids (PFSAs) and alkylcarboxylic acids (PFCAs). Predictive equations were developed between molecular areas and volumes using optimized gas-phase geometries from the AM1 and PM3 semiempirical computational basis sets and previously determined BCFs for representative straight-chain members of each contaminant class. Molecular area approaches for estimating PFSA and PFCA BCFs resulted in more variability both between and within homologue groups than the use of molecular volumes as proxies for hydrophobicity of the perfluoroalkyl chain. An increasing degree of perfluoroalkyl chain branching within each homologue group reduces the estimated BCF, suggesting that the more linear PFSA and PFCA congeners will display the highest BCFs in aquatic organisms. |
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Authors:
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Sierra Rayne; Kaya Forest; Ken J Friesen |
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Publication Detail:
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Type: Journal Article; Research Support, Non-U.S. Gov't |
Journal Detail:
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Title: Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering Volume: 44 ISSN: 1093-4529 ISO Abbreviation: J Environ Sci Health A Tox Hazard Subst Environ Eng Publication Date: 2009 May |
Date Detail:
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Created Date: 2009-04-01 Completed Date: 2009-05-26 Revised Date: 2009-08-14 |
Medline Journal Info:
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Nlm Unique ID: 9812551 Medline TA: J Environ Sci Health A Tox Hazard Subst Environ Eng Country: United States |
Other Details:
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Languages: eng Pagination: 598-604 Citation Subset: IM |
Affiliation:
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Department of Chemistry, University of Winnipeg, Winnipeg, Manitoba, Canada. rayne.sierra@gmail.com |
Export Citation:
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| MeSH Terms | |
Descriptor/Qualifier:
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Alkanesulfonic Acids
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chemistry,
pharmacokinetics* Carboxylic Acids / chemistry, pharmacokinetics* Environmental Monitoring / methods, statistics & numerical data Environmental Pollutants / chemistry, pharmacokinetics* Fluorocarbons / chemistry, pharmacokinetics* Linear Models Models, Biological* Structure-Activity Relationship |
| Chemical | |
Reg. No./Substance:
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0/Alkanesulfonic Acids; 0/Carboxylic Acids; 0/Environmental Pollutants; 0/Fluorocarbons |
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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