A community-built calibration system: The case study of quantification of metabolites in grape juice by qNMR spectroscopy.
Calibration
Food quality control
Interlaboratory comparison
Multiple regression
Validation
qNMR
Journal
Talanta
ISSN: 1873-3573
Titre abrégé: Talanta
Pays: Netherlands
ID NLM: 2984816R
Informations de publication
Date de publication:
01 Jul 2020
01 Jul 2020
Historique:
received:
12
12
2019
revised:
12
02
2020
accepted:
16
02
2020
entrez:
13
4
2020
pubmed:
13
4
2020
medline:
13
11
2020
Statut:
ppublish
Résumé
Nuclear Magnetic Resonance (NMR) is an analytical technique extensively used in almost every chemical laboratory for structural identification. This technique provides statistically equivalent signals in spite of using spectrometer with different hardware features and is successfully used for the traceability and quantification of analytes in food samples. Nevertheless, to date only a few internationally agreed guidelines have been reported on the use of NMR for quantitative analysis. The main goal of the present study is to provide a methodological pipeline to assess the reproducibility of NMR data produced for a given matrix by spectrometers from different manufacturers, with different magnetic field strengths, age and hardware configurations. The results have been analyzed through a sequence of chemometric tests to generate a community-built calibration system which was used to verify the performance of the spectrometers and the reproducibility of the predicted sample concentrations.
Identifiants
pubmed: 32278434
pii: S0039-9140(20)30146-6
doi: 10.1016/j.talanta.2020.120855
pii:
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
120855Informations de copyright
Copyright © 2020 Elsevier B.V. All rights reserved.