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Článek

PubMed

Záznam pochází z PubMed

A community-built calibration system: The case study of quantification of metabolites in grape juice by qNMR spectroscopy

Talanta. 2020 Jul 01 ; 214 () : 120855. [epub] 20200218

ISSN 1873-3573 | 0039-9140
Zdroj

Jazyk angličtina Země Nizozemsko Médium print-electronic

Typ dokumentu časopisecké články

Perzistentní odkaz https://www.medvik.cz/link/pmid32278434

PubMed 32278434
DOI 10.1016/j.talanta.2020.120855
PII: S0039-9140(20)30146-6
Knihovny.cz E-zdroje

Klíčová slova
Calibration, Food quality control, Interlaboratory comparison, Multiple regression, Validation, qNMR,
MeSH
kalibrace MeSH
magnetická rezonanční spektroskopie MeSH
ovocné a zeleninové šťávy analýza MeSH
Vitis chemie MeSH
Publikační typ
časopisecké články MeSH

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.

Aérial 250 Rue Laurent Fries CS40443 67412 Illkirch Cedex France

Aptuit S r l Via Fleming 4 1 37135 Verona Italy

Bruker Italia S r l Viale 5 Lancetti 43 1 20158 Milano Italy

Bruker Italia S r l Viale 5 Lancetti 43 1 20158 Milano Italy; 7C Consortium for NMR Research in Biotechnology and Material Science Via Colombo 81 1 20133 Milano Italy

Centro Inter dipartimentale Misure Università degli Studi di Parma Parco Area delle Scienze 23 A 1 43124 Parma Italy

Centro Interdipartimentale Grandi Strumenti Università di Modena e Reggio Emilia Via G Campi 213 A 41125 Modena Italy

Chemical and Veterinary Investigation Agency of East Westphalia Lippe Westerfeldstraße 1 32758 Detmold Germany

CICECO Aveiro Institute of Materials Department of Chemistry Campus Universitario de Santiago University of Aveiro 3810 093 Aveiro Portugal

Consorzio Interuniversitario Risonanze Magnetiche di Metallo Proteine CERM CIRMMP Via Luigi Sacconi 6 1 50019 Sesto Fiorentino Italy

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Ctre Recherche Valorisation Application 12 Allée ISAAC NEWTON 33650 Martillac France

D3 PharmaChemistry Fondazione Istituto Italiano di Tecnologia Via Morego 30 16163 Genova Italy