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Liang, X.* ; Wang, W.* ; Wu, W.* ; Schramm, K.-W. ; Henkelmann, B. ; Kettrup, A.

Quantitative relationship between chromatographic retentions and molecular structures of polychlorinated dibenzo-p-dioxins (PCDDs).

Chemosphere 41, 923-929 (2000)
DOI
Open Access Green möglich sobald Postprint bei der ZB eingereicht worden ist.
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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Publikationstyp Artikel: Journalartikel
Dokumenttyp Wissenschaftlicher Artikel
Korrespondenzautor
Schlagwörter Quantitative relationship Gas chromatography PCDDs Chromatographic retention Descriptors
ISSN (print) / ISBN 0045-6535
e-ISSN 1879-1298
Zeitschrift Chemosphere
Quellenangaben Band: 41, Heft: 6, Seiten: 923-929 Artikelnummer: , Supplement: ,
Verlag Elsevier
Verlagsort Kidlington, Oxford
Nichtpatentliteratur Publikationen
Begutachtungsstatus Peer reviewed
Institut(e) Institute of Ecological Chemistry (IOEC)