A multivariate chemical map of industrial chemicals: Assessment of various protocols for identification of chemicals of potential concern

↓ Direkt till sidans innehåll
↓ Direkt till sidans sekundära innehåll (sidomenyn)

Sökning: id:"swepub:oai:DiVA.org:umu-23516" >

1 av
Föregående post
Till träfflistan

Stenberg, Mia,1979-Umeå universitet,Kemiska institutionen (författare)

A multivariate chemical map of industrial chemicals : Assessment of various protocols for identification of chemicals of potential concern

Artikel/kapitelEngelska2009

Förlag, utgivningsår, omfång ...

Elsevier,2009
printrdacarrier

Nummerbeteckningar

LIBRIS-ID:oai:DiVA.org:umu-23516
https://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-23516URI
https://doi.org/10.1016/j.chemosphere.2009.05.011DOI

Kompletterande språkuppgifter

Språk:engelska
Sammanfattning på:engelska

Ingår i deldatabas

SwePubSwePub

Klassifikation

Ämneskategori:ref swepub-contenttype
Ämneskategori:art swepub-publicationtype

Anmärkningar

Accepted 13 May 2009. Available online 9 June 2009.
In present study the Industrial chemical map was created, and investigated. Molecular descriptors were calculated for 56 072 organic substances from the European inventory of existing commercial chemical substances (EINECS). The resulting multivariate dataset was subjected to principal component analysis (PCA), giving five principal components, mainly reflecting size, hydrophobicity, flexibility, halogenation and electronical properties. It is these five PCs that form the basis of the map of organic, industrial chemicals, the Industrial chemical map. The similarities and diversity in chemical characteristics of the substances in relation to their persistence (P), bioaccumulation (B) and long-range transport potential were then examined, by superimposing five sets of entries obtained from other relevant databases onto the Industrial chemical map. These sets displayed very similar diversity patterns in the map, although with a spread in all five PC vectors. Substances listed by the United Nations Environment Program as persistent organic pollutants (UNEP POPs) were on the other hand clearly grouped with respect to each of the five PCs. Illustrating similarities and differences in chemical properties are one of the strengths of the multivariate data analysis method, and to be able to make predictions of, and investigate new chemicals. Further, the results demonstrate that non-testing methods as read-across, based on molecular similarities, can reduce the requirements to test industrial chemicals, provided that they are applied carefully, in combination with sound chemical knowledge.

Ämnesord och genrebeteckningar

NATURVETENSKAP Kemi hsv//swe
NATURAL SCIENCES Chemical Sciences hsv//eng
Hazard identification
Persistent organic pollutants
Risk assessment
Molecular similarities
Non-testing methods
Read-across

Biuppslag (personer, institutioner, konferenser, titlar ...)

Linusson, Anna,1970-Umeå universitet,Kemiska institutionen(Swepub:umu)analin99 (författare)
Tysklind, Mats,1956-Umeå universitet,Kemiska institutionen(Swepub:umu)maty0001 (författare)
Andersson, Patrik,1967-Umeå universitet,Kemiska institutionen(Swepub:umu)paan0001 (författare)
Umeå universitetKemiska institutionen (creator_code:org_t)

Sammanhörande titlar

Ingår i:Chemosphere: Elsevier76:7, s. 878-8840045-65351879-1298

Internetlänk

Till lärosätets databas

1 av
Föregående post
Till träfflistan

Hitta mer i SwePub

Av författaren/redakt...: Stenberg, Mia, 1 ...; Linusson, Anna, ...; Tysklind, Mats, ...; Andersson, Patri ...

Om ämnet

NATURVETENSKAP: NATURVETENSKAP; och Kemi

Artiklar i publikationen: Chemosphere

Av lärosätet: Umeå universitet

Sök utanför SwePub

Sök vidare i:: Google; Google Book Search; Google Scholar

Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.

LIBRIS.kb.se