Linked Life Data

16889829

Source:http://linkedlifedata.com/resource/pubmed/id/16889829

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
3
pubmed:dateCreated
2007-6-6
pubmed:abstractText
To achieve better management of processes and products, information on toxicity, safety, and risk assessment of chemicals is required. Ionic liquids are compounds of high interest for industry because of their attractive properties as solvents, but the water solubility of these compounds may lead to aquatic pollution and related risks. Experimental toxicity evaluation (Vibrio fischeri EC(50)) is a measurement of aquatic toxicity but there are theoretically over 1 million ionic liquids, which makes it necessary to estimate their properties by means of quantitative structure-activity relationships (QSARs). A database of Vibrio fischeri EC(50) was assembled to develop a novel group contribution method for estimating the EC(50) of ionic liquids. From the results the group contributions of anion, cation and alkyl substitutions has been calculated. The group contribution method allows an estimation of different combinations of groups in the toxicity (EC(50)) of ionic liquids.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Jul
pubmed:issn
0147-6513
pubmed:author
pubmed:issnType
Print
pubmed:volume
67
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
423-9
pubmed:dateRevised
2011-11-17
pubmed:meshHeading
pubmed:year
2007
pubmed:articleTitle
A novel group contribution method in the development of a QSAR for predicting the toxicity (Vibrio fischeri EC50) of ionic liquids.
pubmed:affiliation
Departamento de Ingeniería Química y Química Inorgánica, Universidad de Cantabria, Avda de los Castros s/n, 39005 Santander, Spain. luisp@unican.es
pubmed:publicationType
Journal Article, Research Support, Non-U.S. Gov't