Afficher la notice abrégée

NMRProcFlow : A graphical and interactive tool dedicated to batch processing of 1D spectra for NMR based metabolomics and qNMR analysis

hal.structure.identifierUnité de recherche sur les Biopolymères, Interactions Assemblages [BIA]
hal.structure.identifierBIBS - Plateforme Bioressources : Imagerie, Biochimie & Structure
dc.contributor.authorJACOB, Daniel
hal.structure.identifierBiologie du fruit et pathologie [BFP]
dc.contributor.authorMOING, Annick
hal.structure.identifierUnité de recherche sur les Biopolymères, Interactions Assemblages [BIA]
hal.structure.identifierBIBS - Plateforme Bioressources : Imagerie, Biochimie & Structure
dc.contributor.authorDEBORDE, Catherine
dc.date.accessioned2025-08-02T02:04:30Z
dc.date.available2025-08-02T02:04:30Z
dc.date.conference2025-06-10
dc.identifier.urihttps://oskar-bordeaux.fr/handle/20.500.12278/207402
dc.description.abstractEnNMRProcFlow1 (nmrprocflow.org) is a web-based tool for processing batches of 1D 1H,13C and 31P NMR spectra. It was initiated for 1H-NMR-based metabolomics and developedat Bordeaux-Metabolome-Facility in interaction with NMR specialists and the Frenchmetabolomics community, and finalized as part of the French MetaboHUB infrastructure.NMRProcFlow covers all the steps involved in processing spectra and preparing quantificationdata for export without the need for programming skills, in a graphical and interactiveway. NMRProcFlow allows you to:- save and export processing files for replay on a set of similar NMR spectra (processingreproducibility).- visualise the levels of experimental factors in the set of NMR spectra using a spectral-viewer- facilitate links between experimental design and subsequent statistical analysis- facilitate interaction between biologists, chemists and NMR spectroscopists, which is crucialfor metabolomics or authenticity studies.For qNMR, exemplary use-cases concern the analysis of ascorbic acid in acerola-based foodsupplements2, of a range of metabolites in urine3, and of pyroglutamic acid in wine4.Since 2017, NMRProcFlow has been widely used by the international NMR-based metabolomicscommunity and beyond with an average of over 4,000 sessions/year on the nmrprocflow.orgonline instance, and 148 citations in the Web-of-Science. It can be used online or downloaded5.References:1 Jacob D et al (2017) doi:10.1007/s11306-017-1178-y2 Bourafai-Aziez A et al (2022) doi:13.3390/molecules271756143 Canlet C et al (2023) doi:101007/s11306-023-02028-44 Watson FT et al (2025) doi:10.1016/j.foodres.2025.1162475 Jacob D et al (2018) https://cran.r-project.org/package=Rnmr1DFunding: MetaboHUB 2.0 (ANR-11-INBS-0010), ANR WAP-NMR (ANR-21-CE21-0014)
dc.description.sponsorshipDéveloppement d'une infrastructure française distribuée pour la métabolomique dédiée à l'innovation - ANR-11-INBS-0010
dc.description.sponsorshipProjet vin authenticité en RMN - ANR-21-CE21-0014
dc.language.isoen
dc.subject.enNMR
dc.subject.enSpectra processing
dc.subject.enGraphical unit interactive
dc.subject.enMetabolomics
dc.subject.enqNMR
dc.title.enNMRProcFlow : A graphical and interactive tool dedicated to batch processing of 1D spectra for NMR based metabolomics and qNMR analysis
dc.typeAutre communication scientifique (congrès sans actes - poster - séminaire...)
dc.subject.halChimie
bordeaux.hal.laboratoriesBiologie du Fruit & Pathologie (BFP) - UMR 1332*
bordeaux.institutionUniversité de Bordeaux
bordeaux.institutionINRAE
bordeaux.conference.title17èmes Journées Scientifiques du RFMF
bordeaux.countryFR
bordeaux.conference.cityParis
bordeaux.peerReviewedoui
hal.identifierhal-05190119
hal.version1
hal.invitednon
hal.proceedingsnon
hal.conference.organizerRFMF
hal.conference.end2025-06-13
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-05190119v1
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.au=JACOB,%20Daniel&MOING,%20Annick&DEBORDE,%20Catherine&rft.genre=conference


Fichier(s) constituant ce document

FichiersTailleFormatVue

Il n'y a pas de fichiers associés à ce document.

Ce document figure dans la(les) collection(s) suivante(s)

Afficher la notice abrégée