Article (Scientific journals)
Analysis of mainstream tobacco smoke particulate phase using comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry
Brokl, Michal; Bishop, L; Wright, C et al.
2013In Journal of Separation Science, 31, p. 3366-3374
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Keywords :
tobacco; smoke; GCxGC
Abstract :
[en] In tobacco research, the comparison of different tobacco blends as well as the puffdependent <br />behaviour of cigarettes is a matter of particular interest. For the investigation <br />of smoke characteristics, GC6GC offers different ways for data analysis, <br />namely, compound target analysis, automated peak-based compound classification <br />and comprehensive pixel-based data analysis. This study will show the application <br />as well as the pros and cons of these types of data analysis for very complex matrices <br />like cigarette particulate matter. In addition, new aspects about the recently discovered <br />puff-dependent behaviour of compounds in cigarette smoke will be presented. <br />Automated peak-based compound classification including mass spectrometric pattern <br />recognition is used for the classification of tobacco particulate matter samples <br />and the puff-dependent investigation of different compound classes. This compound <br />group specific analysis is further reinforced by applying an even more comprehensive <br />pixel-based analysis. This kind of analysis is used to generate fingerprints of <br />different types of cigarettes. The combination of fast feature reduction methods like <br />analysis of variance (ANOVA) and t-test with multivariate feature transformation <br />methods like partial least squares discriminate analysis (PLSDA) for feature selection <br />provides a powerful tool for a detailed inspection of different types of cigarettes.
Research center :
CART - Centre Interfacultaire d'Analyse des Résidus en Traces - ULiège
Disciplines :
Chemistry
Author, co-author :
Brokl, Michal ;  Université de Liège - ULiège > Département de chimie (sciences) > Chimie analytique, organique et biologique
Bishop, L
Wright, C
Liu, C
McAdam, K
Focant, Jean-François  ;  Université de Liège - ULiège > Département de chimie (sciences) > Chimie analytique, organique et biologique
Language :
English
Title :
Analysis of mainstream tobacco smoke particulate phase using comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry
Publication date :
2013
Journal title :
Journal of Separation Science
ISSN :
1615-9306
eISSN :
1615-9314
Publisher :
Wiley-VCH Verlag Gmbh, Weinheim, Germany
Volume :
31
Pages :
3366-3374
Peer reviewed :
Peer Reviewed verified by ORBi
Available on ORBi :
since 20 February 2013

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