NMRProcFlow : A graphical and interactive tool dedicated to batch processing of 1D spectra for NMR based metabolomics and qNMR analysis
JACOB, Daniel
Unité de recherche sur les Biopolymères, Interactions Assemblages [BIA]
BIBS - Plateforme Bioressources : Imagerie, Biochimie & Structure
Unité de recherche sur les Biopolymères, Interactions Assemblages [BIA]
BIBS - Plateforme Bioressources : Imagerie, Biochimie & Structure
DEBORDE, Catherine
Unité de recherche sur les Biopolymères, Interactions Assemblages [BIA]
BIBS - Plateforme Bioressources : Imagerie, Biochimie & Structure
Unité de recherche sur les Biopolymères, Interactions Assemblages [BIA]
BIBS - Plateforme Bioressources : Imagerie, Biochimie & Structure
JACOB, Daniel
Unité de recherche sur les Biopolymères, Interactions Assemblages [BIA]
BIBS - Plateforme Bioressources : Imagerie, Biochimie & Structure
Unité de recherche sur les Biopolymères, Interactions Assemblages [BIA]
BIBS - Plateforme Bioressources : Imagerie, Biochimie & Structure
DEBORDE, Catherine
Unité de recherche sur les Biopolymères, Interactions Assemblages [BIA]
BIBS - Plateforme Bioressources : Imagerie, Biochimie & Structure
< Reduce
Unité de recherche sur les Biopolymères, Interactions Assemblages [BIA]
BIBS - Plateforme Bioressources : Imagerie, Biochimie & Structure
Language
en
Autre communication scientifique (congrès sans actes - poster - séminaire...)
This item was published in
17èmes Journées Scientifiques du RFMF, 2025-06-10, Paris.
English Abstract
NMRProcFlow1 (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 ...Read more >
NMRProcFlow1 (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)Read less <
English Keywords
NMR
Spectra processing
Graphical unit interactive
Metabolomics
qNMR
ANR Project
Développement d'une infrastructure française distribuée pour la métabolomique dédiée à l'innovation - ANR-11-INBS-0010
Projet vin authenticité en RMN - ANR-21-CE21-0014
Projet vin authenticité en RMN - ANR-21-CE21-0014
Origin
Hal importedCollections