hal.structure.identifier | Metatoul AXIOM [E20 ] | |
hal.structure.identifier | MetaboHUB-MetaToul | |
hal.structure.identifier | ToxAlim [ToxAlim] | |
dc.contributor.author | CANLET, Cécile | |
hal.structure.identifier | Plateforme Bordeaux Metabolome | |
hal.structure.identifier | MetaboHUB-Bordeaux | |
hal.structure.identifier | Biologie du fruit et pathologie [BFP] | |
dc.contributor.author | DEBORDE, Catherine | |
hal.structure.identifier | Toulouse Biotechnology Institute [TBI] | |
hal.structure.identifier | MetaboHUB-MetaToul | |
hal.structure.identifier | MetaToul FluxoMet [TBI-MetaToul] | |
dc.contributor.author | CAHOREAU, Edern | |
hal.structure.identifier | Unité de Recherche Œnologie [Villenave d'Ornon] [OENO] | |
hal.structure.identifier | MetaboHUB-Bordeaux | |
hal.structure.identifier | Plateforme Bordeaux Metabolome | |
dc.contributor.author | DA COSTA, Grégory | |
hal.structure.identifier | MetaboHUB-MetaToul | |
hal.structure.identifier | Metatoul AXIOM [E20 ] | |
hal.structure.identifier | ToxAlim [ToxAlim] | |
dc.contributor.author | GAUTIER, Roselyne | |
hal.structure.identifier | Plateforme Bordeaux Metabolome | |
hal.structure.identifier | MetaboHUB-Bordeaux | |
hal.structure.identifier | Biologie du fruit et pathologie [BFP] | |
dc.contributor.author | JACOB, Daniel | |
hal.structure.identifier | Institut de Chimie de Clermont-Ferrand [ICCF] | |
hal.structure.identifier | MetaboHUB-Clermont | |
hal.structure.identifier | Plateforme Exploration du Métabolisme [PFEM] | |
dc.contributor.author | JOUSSE, Cyril | |
hal.structure.identifier | ToxAlim [ToxAlim] | |
hal.structure.identifier | Metatoul AXIOM [E20 ] | |
hal.structure.identifier | MetaboHUB-MetaToul | |
dc.contributor.author | LACAZE, Mélia | |
hal.structure.identifier | Unité de Recherche Œnologie [Villenave d'Ornon] [OENO] | |
hal.structure.identifier | MetaboHUB-Bordeaux | |
hal.structure.identifier | Plateforme Bordeaux Metabolome | |
dc.contributor.author | LE MAO, Inès | |
hal.structure.identifier | CAPACITÉS SAS | |
hal.structure.identifier | Magnetic resonance, Isotopomics, Metabolomics, Monitoring [MIMM] | |
dc.contributor.author | MARTINEAU, Estelle | |
hal.structure.identifier | Toulouse Biotechnology Institute [TBI] | |
hal.structure.identifier | MetaboHUB-MetaToul | |
hal.structure.identifier | MetaToul FluxoMet [TBI-MetaToul] | |
dc.contributor.author | PEYRIGA, Lindsay | |
hal.structure.identifier | Unité de Recherche Œnologie [Villenave d'Ornon] [OENO] | |
hal.structure.identifier | MetaboHUB-Bordeaux | |
hal.structure.identifier | Plateforme Bordeaux Metabolome | |
dc.contributor.author | RICHARD, Tristan | |
hal.structure.identifier | Magnetic resonance, Isotopomics, Metabolomics, Monitoring [MIMM] | |
hal.structure.identifier | Chimie Et Interdisciplinarité : Synthèse, Analyse, Modélisation [CEISAM] | |
hal.structure.identifier | MetaboHUB-Grand-Ouest | |
dc.contributor.author | SILVESTRE, Virginie | |
hal.structure.identifier | Institut de Chimie de Clermont-Ferrand [ICCF] | |
hal.structure.identifier | MetaboHUB-Clermont | |
hal.structure.identifier | Plateforme Exploration du Métabolisme [PFEM] | |
dc.contributor.author | TRAÏKIA, Mounir | |
hal.structure.identifier | Biologie du fruit et pathologie [BFP] | |
hal.structure.identifier | Plateforme Bordeaux Metabolome | |
hal.structure.identifier | MetaboHUB-Bordeaux | |
dc.contributor.author | MOING, Annick | |
hal.structure.identifier | Magnetic resonance, Isotopomics, Metabolomics, Monitoring [MIMM] | |
hal.structure.identifier | Chimie Et Interdisciplinarité : Synthèse, Analyse, Modélisation [CEISAM] | |
hal.structure.identifier | MetaboHUB-Grand-Ouest | |
dc.contributor.author | GIRAUDEAU, Patrick | |
dc.date.issued | 2023-07-07 | |
dc.identifier.issn | 1573-3882 | |
dc.description.abstractEn | Introduction Absolute quantification of individual metabolites in complex biological samples is crucial in targeted metabolomic profiling. Objectives An inter-laboratory test was performed to evaluate the impact of the NMR software, peak-area determination method (integration vs. deconvolution) and operator on quantification trueness and precision. Methods A synthetic urine containing 32 compounds was prepared. One site prepared the urine and calibration samples, and performed NMR acquisition. NMR spectra were acquired with two pulse sequences including water suppression used in routine analyses. The pre-processed spectra were sent to the other sites where each operator quantified the metabolites using internal referencing or external calibration, and his/her favourite in-house, open-access or commercial NMR tool. Results For 1D NMR measurements with solvent presaturation during the recovery delay (zgpr), 20 metabolites were successfully quantified by all processing strategies. Some metabolites could not be quantified by some methods. For internal referencing with TSP, only one half of the metabolites were quantified with a trueness below 5%. With peak integration and external calibration, about 90% of the metabolites were quantified with a trueness below 5%. The NMRProcFlow integration module allowed the quantification of several additional metabolites. The number of quantified metabolites and quantification trueness improved for some metabolites with deconvolution tools. Trueness and precision were not significantly different between zgpr- and NOESYpr-based spectra for about 70% of the variables. Conclusion External calibration performed better than TSP internal referencing. Inter-laboratory tests are useful when choosing to better rationalize the choice of quantification tools for NMR-based metabolomic profiling and confirm the value of spectra deconvolution tools. | |
dc.description.sponsorship | Développement d'une infrastructure française distribuée pour la métabolomique dédiée à l'innovation - ANR-11-INBS-0010 | |
dc.language.iso | en | |
dc.publisher | Springer Verlag | |
dc.rights.uri | http://creativecommons.org/licenses/by/ | |
dc.subject.en | Deconvolution | |
dc.subject.en | Quantitative NMR | |
dc.subject.en | Synthetic urine | |
dc.subject.en | Metabolomic profiling | |
dc.subject.en | Peak integration | |
dc.title.en | NMR metabolite quantification of a synthetic urine sample: an inter-laboratory comparison of processing workflows | |
dc.type | Article de revue | |
dc.identifier.doi | 10.1007/s11306-023-02028-4 | |
dc.subject.hal | Chimie/Chimie analytique | |
dc.subject.hal | Sciences du Vivant [q-bio] | |
dc.description.sponsorshipEurope | summit | |
bordeaux.journal | Metabolomics | |
bordeaux.page | 65 | |
bordeaux.volume | 19 | |
bordeaux.issue | 7 | |
bordeaux.peerReviewed | oui | |
hal.identifier | hal-04155487 | |
hal.version | 1 | |
hal.popular | non | |
hal.audience | Internationale | |
hal.origin.link | https://hal.archives-ouvertes.fr//hal-04155487v1 | |
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