Publication Details

Category Text Publication
Reference Category Journals
DOI 10.1016/j.chroma.2003.10.106
Title (Primary) Using new structurally related additive schemes in the precalculation of gas chromatographic retention indices of polychlorinated hydroxybiphenyls on HP-5 stationary phase
Author Zenkevich, I.G.; Moeder, M.; Köller, G.; Schrader, S.
Source Titel Journal of Chromatography A
Year 2004
Department ANA; EXPOEPID
Volume 1025
Issue 2
Page From 227
Page To 236
Language englisch
Keywords Retention indices; Retention prediction; Polychlorinated hydroxybiphenyls
Abstract A new additive scheme is proposed for the precalculation of gas chromatographic retention indices of complex organic compounds. The principal feature of this approach is the absence of previously calculated I increments for any structural fragments or functional groups in the molecule. Instead, arithmetical operations involving I values of simpler structural analogues of target compounds are used directly. I precalculation for polychlorinated hydroxybiphenyls (839 congeners) on the HP-5 stationary phase was chosen as one of the most important applications of the method under discussion. Such a large number of congeners cannot be obtained as reference samples and their gas chromatographic (GC)–mass spectrometric (MS) identification should therefore be based currently on precalculated I values.
Persistent UFZ Identifier https://www.ufz.de/index.php?en=20939&ufzPublicationIdentifier=4675
Zenkevich, I.G., Moeder, M., Köller, G., Schrader, S. (2004):
Using new structurally related additive schemes in the precalculation of gas chromatographic retention indices of polychlorinated hydroxybiphenyls on HP-5 stationary phase
J. Chromatogr. A 1025 (2), 227 - 236 10.1016/j.chroma.2003.10.106