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Open Access Green as soon as Postprint is submitted to ZB.
Quantitative relationship between chromatographic retentions and molecular structures of polychlorinated dibenzo-p-dioxins (PCDDs).
Chemosphere 41, 923-929 (2000)
A new approach to study the quantitative relationships between chromatographic retentions and molecular structures of polychlorinated dibenzo-p-dioxins (PCDDs) is described. The retention equations of PCDDs in gas chromatography (GC) are used to evaluate the properties of the regression coefficients A and B, which have been widely accepted as highly reliable chromatographic retentions. The quantitative relationships between the A, B values and the molecular structures are found. The molecular descriptors given for the first time in this article are very effective. As a result, the regression equations are derived with correlation coefficients greater than 0.9995. The A, B values of PCDDs with no standards available have been predicted according to these relationships. They are very useful in chromatographic identification. The retention times of all PCDDs can be conveniently predicted at any temperature program. Compared with the data obtained from the relevant experiments, the results of prediction are very accurate.
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Publication type
Article: Journal article
Document type
Scientific Article
Keywords
Quantitative relationship Gas chromatography PCDDs Chromatographic retention Descriptors
ISSN (print) / ISBN
0045-6535
e-ISSN
1879-1298
Journal
Chemosphere
Quellenangaben
Volume: 41,
Issue: 6,
Pages: 923-929
Publisher
Elsevier
Publishing Place
Kidlington, Oxford
Non-patent literature
Publications
Reviewing status
Peer reviewed
Institute(s)
Institute of Ecological Chemistry (IOEC)