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Gröger, T.M. ; Welthagen, W. ; Mitschke, S.* ; Schaeffer, M.* ; Zimmermann, R.

Application of comprehensive two-dimensional gas chromatography mass spectrometry and different types of data analysis for the investigation of cigarette particulate matter.

J. Sep. Sci. 31, 3366-3374 (2008)
DOI PMC
Open Access Green as soon as Postprint is submitted to ZB.
In tobacco research, the comparison of different tobacco blends as well as the puff-dependent behaviour of cigarettes is a matter of particular interest. For the investigation of smoke characteristics, GC x GC offers different ways for data analysis, namely, compound target analysis, automated peak-based compound classification and comprehensive pixel-based data analysis. This study will show the application as well as the pros and cons of these types of data analysis for very complex matrices like cigarette particulate matter. In addition, new aspects about the recently discovered puff-dependent behaviour of compounds in cigarette smoke will be presented. Automated peak-based compound classification including mass spectrometric pattern recognition is used for the classification of tobacco particulate matter samples and the puff-dependent investigation of different compound classes. This compound group specific analysis is further reinforced by applying an even more comprehensive pixel-based analysis. This kind of analysis is used to generate fingerprints of different types of cigarettes. The combination of fast feature reduction methods like analysis of variance (ANOVA) and t-test with multivariate feature transformation methods like partial least squares discriminate analysis (PLSDA) for feature selection provides a powerful tool for a detailed inspection of different types of cigarettes.
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Publication type Article: Journal article
Document type Scientific Article
Corresponding Author
Keywords Automated peak based compound classification; Comprehensive two-dimensional gas chromatography; Particulate matter; Pixel-based analysis; Tobacco
ISSN (print) / ISBN 1615-9306
e-ISSN 1615-9314
Journal Journal of Separation Science
Quellenangaben Volume: 31, Issue: 19, Pages: 3366-3374 Article Number: , Supplement: ,
Publisher Wiley
Non-patent literature Publications
Reviewing status Peer reviewed
Institute(s) Institute of Ecological Chemistry (IOEC)
Cooperation Group Comprehensive Molecular Analytics (CMA)