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Prediction of gas chromatographic separation for PBDE congeners from molecular descriptors
University of Kalmar, School of Pure and Applied Natural Sciences.ORCID iD: 0000-0001-9382-9296
2004 (English)In: The ESS Bulletin, ISSN 1651-5382, Vol. 2, no 1, p. 74-90Article in journal (Refereed) Published
Abstract [en]

Polybrominated diphenyl ethers (PBDE) have been identified as environmental contaminants with a widespread distribution. The separation properties of PBDEs in high-resolution gas chromatography (HRGC) are important both for environmental analysis and for determining physical properties such as the vapour pressures. This study reports a quantitative structure-property relationship (QSPR), established between relative retention times on capillary HRGC and two constitutional structure descriptors that can perform equally well as more elaborate approaches. The simplified approach is recommended for explanatory models, while a more in-depth multivariate characterisation is suggested to assure similarity in applying prediction models.

Place, publisher, year, edition, pages
Kalmar: Environmental Science Section, Department of Biology and Environmental Science, University of Kalmar , 2004. Vol. 2, no 1, p. 74-90
National Category
Environmental Sciences
Research subject
Environmental Science, Environmental Chemistry
Identifiers
URN: urn:nbn:se:hik:diva-1549OAI: oai:DiVA.org:hik-1549DiVA, id: diva2:214050
Available from: 2009-05-01 Created: 2009-05-01 Last updated: 2016-11-15Bibliographically approved

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Öberg, Tomas

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CiteExportLink to record
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  • apa
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