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See detailOptimizing of TD-GC×GC-HRTOFMS for the profiling of cannabis blends
Dubois, Lena ULiege; Ledent, Maxime ULiege; Franchina, Flavio ULiege et al

Poster (2019, May 13)

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See detailImplementation of GC×GC-qMS/FID for VOC profiling in the forensic sciences
Perrault, Katelynn ULiege; Cernosek, Terezie; Byrne, Julienne et al

Conference (2019, May)

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See detailComprehensive Approach for Monitoring Human Tissue Degradation
Dubois, Lena ULiege; Stefanuto, Pierre-Hugues ULiege; Perrault, Katelynn ULiege et al

in Chromatographia (2019)

In recent years, comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry (GC × GC–TOFMS) has been reported as a suitable tool for the determination of volatile organic ... [more ▼]

In recent years, comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry (GC × GC–TOFMS) has been reported as a suitable tool for the determination of volatile organic compounds (VOCs) emitted during the process of cadaveric decomposition. The main aim of the present study was to investigate temporal changes in VOC patterns during the decomposition process of various human tissues. The focus of previous research was mainly on the analysis of VOCs produced by whole cadavers. However, this study aimed to identify whether the VOCs produced during decomposition differ between specific organs, and further, to determine the extent of the variation between cadavers. The sampling process developed for this project allowed inter- and intra-cadaveric comparison. The headspace of heart, lung, liver, kidney and blood was monitored during the decomposition process. Tissue samples from five different cadavers were sampled regularly by dynamic pumping onto sorbent tubes that were further thermally desorbed onto a GC × GC–TOFMS system. A large amount of data (n = 774) was obtained, leading to challenges in the integration, interpretation and representation of the results. Eventually, multivariate statistical methods, such as principal components analysis (PCA) and hierarchical cluster analysis (HCA) were applied to the dataset to evaluate trends and differences in subgroups. It was demonstrated that there were subtle differences between the sets of compounds produced from each organ due to the different functions they carry out within the body. However, VOC profiles were more similar among organs from the same cadaver than when comparing samples from different cadavers. Various reasons may cause the differences between the analyzed cadavers, ranging from the individual diet and lifestyle to the time since death. © 2019, Springer-Verlag GmbH Germany, part of Springer Nature. [less ▲]

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See detailDéveloppement et validation d'une méthode de diganostique non-ciblée pour la caractérisation des fluides pulmonaires
Zanella, Delphine ULiege; Stefanuto, Pierre-Hugues ULiege; Dubois, Lena ULiege et al

Poster (2019, March)

L’amélioration constante de l’instrumentation analytique génère un intérêt croissant dans les études métabolomiques. Dans ce contexte de caractérisation de mélanges complexes, la chromatographie gazeuse ... [more ▼]

L’amélioration constante de l’instrumentation analytique génère un intérêt croissant dans les études métabolomiques. Dans ce contexte de caractérisation de mélanges complexes, la chromatographie gazeuse bidimensionnelle (GC×GC) constitue une solution efficace pour obtenir un aperçu complet de la composition des échantillons. Cependant, l’augmentation de la résolution analytique s'accompagne d'une augmentation de la complexité des données générées [1,2]. Pour garantir l'utilisation correcte de l'instrumentation analytique, l’optimisation de la méthode et l’établissement d’un protocole de contrôle qualité (QC) adéquats et clairement définis sont nécessaires. Malheureusement, peu d'études GC×GC non ciblées présentent ces aspects importants et une utilisation abusive des termes validation et semi-quantification est florissante dans les publications. Ces biais conduisent au problème général du manque de reproductibilité des études en science, souligné dans les publications récentes de Nature [3,4]. Pour résoudre ce problème, plusieurs initiatives, telles que l'initiative de normalisation en métabolomique (MSI), ont établi des directives générales pour éviter ce manque de robustesse analytique [5,6].Cette étude présente l'application et l'adaptation des directives MSI pour l'analyse de mélanges volatils à l'aide de la GC×GC-TOFMS. Pour illustrer cette approche, les profils volatils de fluide de lavage bronchoalvéolaire (BALF) ont été analysés. Cette procédure médicale est largement répandue et fournit des informations importantes sur les processus immunologiques, inflammatoires et infectieux des voies respiratoires. Tout d'abord, une solution de QC a été créée en regroupant des échantillons de BALF provenant de différents patients. Cette solution a ensuite été utilisée pour l’optimisation de la méthode, c’est-à-dire l’échantillonnage ainsi que les conditions chromatographiques. Sur base des conditions optimales, la validation a été effectuée. La solution QC a également été utilisée comme base pour la mise en œuvre d'un protocole de contrôle de qualité pour l'analyse de volatils dans les matrices biologiques. Cette étude a pour objectif de fournir des conseils pour l’établissement d’une stratégie analytique robuste pour les analyses non ciblées. References 2. Stefanuto, P. H. et al. Advanced method optimization for volatile aroma profiling of beer using two-dimensional gas chromatography time-of-flight mass spectrometry. J. Chromatogr. A 1507, 45–52 (2017). 3. Monya Baker. Seek out stronger science. Nature 537, 703–704 (2016). 5. Sumner, L. W. et al. Proposed minimum reporting standards for chemical analysis: Chemical Analysis Working Group (CAWG) Metabolomics Standards Initiative (MSI). Metabolomics 3, 211–221 (2007). [less ▲]

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See detailUse of Blood Volatiles as Trace Evidence
Dubois, Lena ULiege; Perrault, Katelynn ULiege; Stefanuto, Pierre-Hugues ULiege et al

Poster (2019, February 20)

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See detailFingerprinting glues using HS-SPME GC×GC-HRTOFMS: a new powerful method allows tracking glues back in time
Cnuts, Dries ULiege; Perrault, Katelynn ULiege; Stefanuto, Pierre-Hugues ULiege et al

in Archaeometry (2018), 60(6), 1361-1376

The use of glues for stone tool hafting is an important innovation in human evolution. Compared to other organic remains, glues are preserved more frequently, though mainly in small spots. Reliable ... [more ▼]

The use of glues for stone tool hafting is an important innovation in human evolution. Compared to other organic remains, glues are preserved more frequently, though mainly in small spots. Reliable identification requires chemical molecular characterization, which is traditionally performed by gas chromatography-mass spectrometry (GC-MS). Current methods of extraction and derivatization prior to GC-MS are destructive and require relatively large samples, which is problematic for prehistoric glue residues. In this paper, we discuss the results of an experimental study using a new method (HS-SPME-GC×GC-HRTOFMS) that proves effective for identifying small quantities of compound glues. The method is non-destructive with an improved sensitivity in comparison to traditional GC-MS, and it has a high potential for prehistoric samples. [less ▲]

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See detailCharacterization of hafting adhesives using comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry
Perrault, Katelynn ULiege; Dubois, Lena ULiege; Cnuts, Dries ULiege et al

in Separation Science Plus (2018), 1-12

The determination of the presence and the composition of residues from organic materials on archeological objects allows the behavior of our prehistoric ancestors to be better understood. The functional ... [more ▼]

The determination of the presence and the composition of residues from organic materials on archeological objects allows the behavior of our prehistoric ancestors to be better understood. The functional analysis of tools used for daily life activities, such as hunting or hide working, represents an important source of information. However, the chemical characterization of residues from archeological artifacts represents an analytical challenge. On one hand, the residues are made of different natural materials containing hundreds of chemicals. This complexity requires advanced analytical procedures to separate and identify the constituents. On the other hand, the low quantity and the advanced degradation require sensitive and non-destructive methods. In this study, an approach employing headspace sampling (solid-phase microextraction) with comprehensive two-dimensional gas chromatography coupled to highresolution-time-of-flight mass spectrometry was developed for the characterization of adhesive residues on simulated archeological artifacts. First, the performance of the analytical system was evaluated on a standard mixture and a pine resin sample. Next, adhesives and adhesives mixtures were analyzed that represented typical compositions that have been witnessed in archaeological applications. This analytical approach is a gateway into new potential for headspace organic residue characterization as a first step of analysis prior to altering residues for additional characterization. [less ▲]

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See detailGC×GC-(HR)TOFMS : A KEY PLAYER IN YOUR TOOL BOX FOR MEDICAL APPLICATIONS
Stefanuto, Pierre-Hugues ULiege; Zanella, Delphine ULiege; Dubois, Lena ULiege et al

Scientific conference (2018, May)

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See detailASTHMA PHENOTYPING USING BREATH- GC×GC-HRTOFMS
Zanella, Delphine ULiege; Stefanuto, Pierre-Hugues ULiege; Dubois, Lena ULiege et al

Conference (2018, May)

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See detailPERFORMANCE EVALUATION OF A SOLID STATE MODULATOR
Dubois, Lena ULiege; Zanella, Delphine ULiege; Stefanuto, Pierre-Hugues ULiege et al

Poster (2018, May)

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See detailINCLUDING GC×GC-HRTOFMS AS A POWERFUL TOOL IN THE METHODOLOGY FOR THE SELECTION OF SUITABLE ADDITIVES TO REDUCE UNDESIRABLE ODOUR / VOC FROM BIOCOMPOSITE MATERIALS
Brasseur, Catherine; Demeyer, Marie; Pacary, Tiphaine et al

Poster (2018, May)

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See detailGC×GC-TOFMS FOR THE INVESTIGATION OF ORGAN SPECIFIC DECOMPOSITION ODOR PROFILES
Dubois, Lena ULiege; Stefanuto, Pierre-Hugues ULiege; Lloyd, Rebecca et al

Poster (2018, May)

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See detailSOLID STATE MODULATED GC×GC
de Koning, Sjaak; Dubois, Lena ULiege; Zanella, Delphine ULiege et al

Poster (2018, May)

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