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Dissertation
Mémoire, Partim B, COLLÉGIALITÉ
Authors: --- --- --- ---
Year: 2021 Publisher: Liège Université de Liège (ULiège)

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Abstract

The peppermint Initiative was created to overcome the lack of standardization in exhaled breath analysis. It is an inter-analytical platforms-benchmarking study, which was carried out in the OBiAChem laboratory. Concretely, in each analytical platform, the defined peppermint protocol was repeated on the exhaled breath of at least 10 subjects to monitor specific metabolites of the peppermint oil in the exhaled breath. With the resulting data, a statistical analysis will be carried out and should represent the variability range between laboratories and different types of instrumentation. Concerning the OBiAChem laboratory, the exhaled breath was sampled in Tedlar® bags and the target VOCs were analyzed by a TD-GC×GC-HRTOFMS. A previous optimization step on the exhaled breath sampling method was done and this determined the suitable sampling bags for the exhaled breath analysis, 1L Tedlar® bags. The data analysis highlighted that almost all of the monitored metabolites of peppermint oil gave reproducible results leading to the conclusion that the exhaled breath sampling method which was used is a reproducible method.


Dissertation
Optimization of a comprehensive two-dimensional gas chromatography-based method for the profiling of non-recreational cannabis
Authors: --- --- --- ---
Year: 2019 Publisher: Liège Université de Liège (ULiège)

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Comprehensive two-dimensional gas chromatography (GC×GC) coupled to high-resolution time-of-flight mass spectrometer (HRTOFMS) has been used to perform non-recreational cannabis strains differentiation. The sampling method, based on dynamic headspace and thermal desorption (TD), has been optimized to maximize volatile organic compound (VOC) collection. Volatile profiles of nine cannabis flowers were collected at room temperature using thermal desorption tubes. Terpenes and other specific volatile compounds emitted by the flowers have been used through advanced data analysis. Different data pre-treatments have been investigated on raw data prior to statistical analysis. Principal component analysis (PCA) has been used to visualize the impact of pre-processing. Based on the selected data treatment, five strains out of the nine were selected for strain differentiation. Furthermore, the global chemical classes repartition, odor profile, and medical effects of strains were investigated. Major compounds listed in literature have been successfully identified by the HRTOFMS, using the combination of specific fragmentation and high mass accuracy to increase the confidence in compounds identification. In conclusion, strains have been separated upon PCA results, which has shown also its potential to differentiate cannabis subspecies. Moreover, compound investigation has shown similar profile of aromas with different major flavors in different strains and has shown different medical compound amounts proving the medical potential of cannabis-based products uses. La chromatographie en phase gazeuse bidimensionnelle (GC×GC) couplée à la spectrométrie de masse à temps de vol à haute résolution (HRTOFMS) a été utilisée pour différencier des fleurs de cannabis à usage non-récréatif. La méthode d’échantillonnage, basée sur l’échantillonnage dynamique de l’espace de tête et sur la désorption thermique (TD), a été optimisée afin de maximiser la collection de composés organiques volatils (COVs). Les COVs de neuf fleurs de cannabis ont été récoltés à température ambiante à l’aide de tubes de désorption thermique. L’analyse des données s’est basée sur le profil des terpènes et autres composés volatils des fleurs. Des pré-traitements des données ont été effectués avant leurs analyses statistiques. L’analyse par composante principale (ACP) a été utilisée afin de visualiser l’impact du pré-traitement sur les données. A partir des données sélectionnées après le pré-traitement, cinq fleurs sur les neufs ont été sélectionnées en vue de les différencier. La répartition globale des classes de composés chimiques, le profil des odeurs et des effets médicaux des fleurs ont également été étudiés. Les composés majeurs référencés dans la littérature ont été identifiés par la HRTOFMS qui confère une haute précision de la masse et une plus grande certitude dans l’identification des composés. En conclusion, les fleurs ont été séparées selon leurs résultats d’ACP. Celle-ci a montré son potentiel pour différencier les sous-espèces de cannabis. De plus, l’analyse des composés a montré des profils d’odeurs similaires, avec des arômes majoritaires dans les différentes fleurs. Elle a aussi montré la présence de composés médicinaux, montrant le potentiel médical des produits basés sur le cannabis.


Book
Recent Advances in Volatile Organic Compound Analysis as Diagnostic Biomarkers
Authors: ---
ISBN: 3036553495 3036553509 Year: 2022 Publisher: MDPI - Multidisciplinary Digital Publishing Institute

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Abstract

Volatile organic compounds (VOCs) are a diverse group of carbon-based molecules that are volatile at ambient temperatures and are emitted by an organism as a result of metabolic processes of cells and associated microbiome. The qualitative and quantitative profile of VOCs in biological fluids can vary depending on the physiological changes. Therefore, the pattern of volatile metabolites may reflect the presence of several diseases. This has been intensively investigated in the last few decades, resulting in an increasing number of studies focused on new volatile biomarker discovery.This reprint aimed to summarize the recent findings related to VOCs detected in various biological fluids such as breath, urine and feces for biomedical applications. The content covers various topics, including but not limited to biomedical/medical application of VOC analysis, biomarker discovery, and novel approaches for sampling and analyzing VOCs.

Keywords

Research & information: general --- Chemistry --- liquid–liquid extraction --- volatile compounds --- urine --- method optimization --- GC-MS --- 1H-NMR --- iron deficiency anaemia --- iron supplementation --- volatile organic compounds (VOCs) --- intestinal metabolome --- gut microbiome --- CDH --- microbiome --- VOCs --- spiroergometry --- outcome --- exhaled breath --- eNose --- smoking --- asthma --- COPD --- NTD-GC-MS --- breath --- lung cancer --- biomarkers --- volatile organic compounds --- urine analysis --- comprehensive two-dimensional gas chromatography --- kidney diseases --- urinary biomarkers --- hepatocellular carcinoma --- diagnosis --- headspace analysis --- untargeted analysis --- breath analysis --- cancer biomarkers --- volatolomics --- whole grain --- rye --- comprehensive two-dimensional gas chromatography–mass spectrometry --- dietary fiber --- e-nose --- electronic nose --- breathing rhythm --- mechanical ventilation --- anesthesia --- supplemental oxygen --- oxygen toxicity --- lipid peroxidation --- volatile aldehydes --- pentanal --- hexanal --- classification models --- dairy cows --- fecal headspace --- Mycobacterium avium ssp. paratuberculosis (MAP) --- paratuberculosis --- random forest --- stable air --- volatile organic compound (VOC) --- biomarker --- MCC–IMS --- ventilator-induced lung injury --- metabolome --- feces --- neonates --- fermentation --- protein --- carbohydrate --- short chain fatty acid --- metabolites --- volatile organic compound --- acute gastritis --- antibiotic treatment --- treatment dynamics: microbiota --- mid-infrared spectroscopy --- short-chain fatty acid --- alpha-keto acid --- Helicobacter pylori --- MOX sensors --- low sensing chamber volume --- calibration transfer --- standard samples --- piecewise direct standardization --- correlation alignment --- breath sampling --- pattern recognition

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