Search results for "Metabolomic"
showing 10 items of 299 documents
Evaluation of the effect of chance correlations on variable selection using Partial Least Squares -Discriminant Analysis
2013
Variable subset selection is often mandatory in high throughput metabolomics and proteomics. However, depending on the variable to sample ratio there is a significant susceptibility of variable selection towards chance correlations. The evaluation of the predictive capabilities of PLSDA models estimated by cross-validation after feature selection provides overly optimistic results if the selection is performed on the entire set and no external validation set is available. In this work, a simulation of the statistical null hypothesis is proposed to test whether the discrimination capability of a PLSDA model after variable selection estimated by cross-validation is statistically higher than t…
Integrating analytical resolutions in non-targeted wine metabolomics
2015
Direct injection Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS), and ultra-high performance liquid chromatography coupled to mass spectrometry (UPLC/MS) were combined for the non-targeted analysis of wine metabolites. The unrivalled resolution on mass measurement allowed by the former and the separation ability of isomeric and isobaric substances by the latter, clearly increases the scope of detectable unknown metabolites in wines. Such methodology is illustrated through the comparison of chemical spaces of a young and an older Pinot noir wine. RP and HILIC chromatography could reveal up to five isomers for a given mass, throughout the explored mass range. CHO, CHOS …
Genomic and Proteomic Analysis of Wine Yeasts
2011
Publisher Summary Saccharomyces cerevisiae is the main microorganism involved in wine fermentation. It has been used as a model organism in molecular biology for many years and is the only wine yeast species for which abundant genomic and proteomic information is available. Most of the techniques currently used in functional genomics and proteomics were initially developed in this yeast. The fact that S. cerevisiae was the first microorganism to be widely used in the development of genome technology allowed other phylogenetically related yeasts to be analyzed subsequently in global sequencing projects, and the use of comparative genomics has since led to important conclusions regarding gene…
The chemodiversity of wines can reveal a metabologeography expression of cooperage oak wood
2009
Wine chemical compositions, which result from a complex interplay between environmental factors, genetic factors, and viticultural practices, have mostly been studied using targeted analyses of selected families of metabolites. Detailed studies have particularly concerned volatile and polyphenolic compounds because of their acknowledged roles in the organoleptic and therapeutic properties. However, we show that an unprecedented chemical diversity of wine composition can be unraveled through a nontargeted approach by ultrahigh-resolution mass spectrometry, which provides an instantaneous image of complex interacting processes, not easily or possibly resolvable into their unambiguous individu…
High precision mass measurements for wine metabolomics
2014
An overview of the critical steps for the non-targeted Ultra-High Performance Liquid Chromatography coupled with Quadrupole Time-of-Flight Mass Spectrometry (UPLC-Q-ToF-MS) analysis of wine chemistry is given, ranging from the study design, data preprocessing and statistical analyses, to markers identification. UPLC-Q-ToF-MS data was enhanced by the alignment of exact mass data from FTICR-MS, and marker peaks were identified using UPLC-Q-ToF-MS(2). In combination with multivariate statistical tools and the annotation of peaks with metabolites from relevant databases, this analytical process provides a fine description of the chemical complexity of wines, as exemplified in the case of red (P…
Mammalian cell metabolomics: Experimental design and sample preparation
2013
Metabolomics represents the global assessment of metabolites in a biological sample and reports the closest information to the phenotype of the biological system under study. Mammalian cell metabolomics has emerged as a promising tool with potential applications in many biotechnology and research areas. Metabolomics workflow includes experimental design, sampling, sample processing, metabolite analysis, and data processing. Given their influence on metabolite content and biological interpretation of data, a good experimental design and the appropriate choice of a sample processing method are prerequisites for success in any metabolomic study. The use of mammalian cells in the metabolomics f…
Can we Trust Untargeted Metabolomics: Results of the Metabo-ring Initiative, a Large-scale Multi-instruments Inter-laboratoire Study
2013
This work was presented at the 6th Journée Scientifique du Réseau Français de Métabolomique et Fluxomique, Nantes, May 2012 and at the 8th International Conference of the Metabolomics Society, Washington, June 2012This work was presented at the 6th Journée Scientifique du Réseau Français de Métabolomique et Fluxomique, Nantes, May 2012 and at the 8th International Conference of the Metabolomics Society, Washington, June 2012; The metabo-ring initiative brought together five nuclear magnetic resonance instruments (NMR) and 11different mass spectrometers with the objective of assessing the reliability of untargeted metabolomics approaches in obtaining comparable metabolomics profiles. This wa…
Contribution to the molecular study of the oxidative stability of white wines of Burgundy
2019
In order to understand and control the aging of wines, particularly white wines, it is necessary to deepen our knowledge about the physico-chemical mechanisms of oxidation related to oxygenation processes. For this, it is important to have tools to quantify the antioxidant capacity of white wines, and to identify the compoiunds involved, in order to anticipate the aging ability of a wine.In this study, analyzes of the antioxidant capacity by DPPH and Electron Paramagnetic Resonance (EPR) were carried out on a large number of wines during aging and from several vintages, in parallel with metabolomic analyzes, mainly carried out by Liquid Chromatography Coupled to Mass Spectrometry (UPLC-Q-TO…
Metabolic Profiling of Glucose-Fed Metabolically Active Resting Zymomonas mobilis Strains
2020
Zymomonas mobilis is the most efficient bacterial ethanol producer and its physiology is potentially applicable to industrial-scale bioethanol production. However, compared to other industrially important microorganisms, the Z. mobilis metabolome and adaptation to various nutritional and genetic perturbations have been poorly characterized. For rational metabolic engineering, it is essential to understand how central metabolism and intracellular redox balance are maintained in Z. mobilis under various conditions. In this study, we applied quantitative mass spectrometry-based metabolomics to explore how glucose-fed non-growing Z. mobilis Zm6 cells metabolically adapt to change of oxygen avai…
Effects of exercise and dietary intervention on serum metabolites in men with insomnia symptoms : a 6-month randomized-controlled trial
2020
Accumulating evidence show that exercise and diet interventions are associated with improved sleep quality. Studies investigating the effects of exercise and dieting on circulating metabolomics in people with sleep disorders, particularly insomnia, are scarce. The present study is a part of a 6-month randomized lifestyle intervention on sleep disorder subjects. Seventy-two Finnish men (aged: 51.6 ± 10.1 years) with chronic insomnia symptoms who were assigned into different intervention groups completed this study (exercise n = 24, diet n = 27 and control n = 21). We found exercise and diet intervention were associated with improved sleep quality and a number of metabolites across different …