Linked Life Data

18754368

Source:http://linkedlifedata.com/resource/pubmed/id/18754368

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
14
pubmed:dateCreated
2008-8-29
pubmed:abstractText
Information about the mobility and the partitioning properties of brominated persistent organic pollutants, the environmental levels of which are sometimes higher than those of the chlorinated analogues, is limited. We estimated n-octanol/ water (log K(OW)), n-octanol/air (log K(OA)), and air/water (log K(AW)) partition coefficients for 1436 chloro- and bromo-analogues of dibenzo-p-dioxins, dibenzofurans, biphenyls, naphthalenes, diphenyl ethers, and benzenes by employing quantitative structure-property relationship (QSPR) techniques. The searches for similar partitioning patterns were performed by means of two-dimensional cluster analysis. Five classes of compounds were identified. Each of the class is characterized by similar partition coefficients and, in consequence, similar environmental properties. Finally the data was fitted into a simple multimedia model involving the partitioning map. In addition, we found thatthe changes in the partition coefficients upon the replacement of chlorine with bromine were constant: 0.11, 0.31, and -0.21 per bromine atom for log K(OW), log K(OA), and log K(AW), respectively. On the basis of this observation, a method for rapid estimation of changes in the partition coefficient upon chlorine-bromine substitution was proposed.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Jul
pubmed:issn
0013-936X
pubmed:author
pubmed:issnType
Print
pubmed:day
15
pubmed:volume
42
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
5189-95
pubmed:meshHeading
pubmed:year
2008
pubmed:articleTitle
How do the partitioning properties of polyhalogenated POPs change when chlorine is replaced with bromine?
pubmed:affiliation
National Institute for Environmental Studies, Research Center for Environmental Risk, Exposure Assessment Research Section, 16-2 Onogawa, Tsukuba, Ibaraki, 305-8506, Japan. puzyn.tomasz@nies.go.jp
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't