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

2020; Elsevier BV; Volume: 214; Linguagem: Inglês

10.1016/j.talanta.2020.120855

1873-3573

Biagia Musio, Rosa Ragone, Stefano Todisco, Antonino Rizzuti, Mario Latronico, Piero Mastrorilli, Stefania Pontrelli, Nicola Intini, Pasquale Scapicchio, Maurizio Triggiani, Tommaso Di Noia, Domenico Acquotti, Cristina Airoldi, Michael Assfalg, Alessandro Barge, Lorraine M. Bateman, Francesca Benevelli, Davide Bertelli, Fabio Bertocchi, Aurimas Bieliauskas, Anna Borioni, Augusta Caligiani, Emanuela Callone, Ales Čamra, Flaminia Cesare Marincola, Dinesh Chalasani, Roberto Consonni, Paolo Dambruoso, Silvia Davalli, David Taylor, Bernd Diehl, James Donarski, Ana M. Gil, Roberto Gobetto, Luca Goldoni, Erwann Hamon, John S. Harwood, Andrea Kobrlová, Francesco Longobardi, Renzo Luisi, Domenico Mallamace, Stefano Mammi, Magali Martin-Biran, Pierluigi Mazzei, Andrea Mele, Salvatore Milone, Dolores Molero, Roger J. Mulder, Claudia Di Napoli, Daniele Ragno, Antonio Randazzo, Maria Cecilia Rossi, Archimede Rotondo, Algirdas Šačkus, Elena Sáez, Elisabetta Schievano, Sitaram Bhavaraju, Livio Stevanato, Panteleimon G. Takis, Jan Teipel, Freddy Thomas, Elisabetta Torregiani, Daniela Valensin, Marina Veronesi, John T. Warren, Julien Wist, Elina Zailer-Hafer, Cristiano Zuccaccia, Vito Gallo,

Fermentation and Sensory Analysis

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.