Document Detail


Estimated bioconcentration factors (BCFs) for the C(4) through C(8) perfluorinated alkylsulfonic acid (PFSA) and alkylcarboxylic acid (PFCA) congeners.
MedLine Citation:
PMID:  19337923     Owner:  NLM     Status:  MEDLINE    
Abstract/OtherAbstract:
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.
Authors:
Sierra Rayne; Kaya Forest; Ken J Friesen
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Publication Detail:
Type:  Journal Article; Research Support, Non-U.S. Gov't    
Journal Detail:
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:
Created Date:  2009-04-01     Completed Date:  2009-05-26     Revised Date:  2009-08-14    
Medline Journal Info:
Nlm Unique ID:  9812551     Medline TA:  J Environ Sci Health A Tox Hazard Subst Environ Eng     Country:  United States    
Other Details:
Languages:  eng     Pagination:  598-604     Citation Subset:  IM    
Affiliation:
Department of Chemistry, University of Winnipeg, Winnipeg, Manitoba, Canada. rayne.sierra@gmail.com
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MeSH Terms
Descriptor/Qualifier:
Alkanesulfonic Acids / 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:
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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