title: Performance Assessment in Fingerprinting and Multi Component Quantitative NMR Analyses.
abstract: An interlaboratory comparison (ILC) was organized with the aim to set up quality control indicators suitable for multicomponent quantitative analysis by nuclear magnetic resonance (NMR) spectroscopy. A total of 36 NMR data sets (corresponding to 1260 NMR spectra) were produced by 30 participants using 34 NMR spectrometers. The calibration line method was chosen for the quantification of a five-component model mixture. Results show that quantitative NMR is a robust quantification tool and that 26 out of 36 data sets resulted in statistically equivalent calibration lines for all considered NMR signals. The performance of each laboratory was assessed by means of a new performance index (named Qp-score) which is related to the difference between the experimental and the consensus values of the slope of the calibration lines. Laboratories endowed with a Qp-score falling within the suitable acceptability range are qualified to produce NMR spectra that can be considered statistically equivalent in terms of relative intensities of the signals. In addition, the specific response of nuclei to the experimental excitation/relaxation conditions was addressed by means of the parameter named NR. NR is related to the difference between the theoretical and the consensus slopes of the calibration lines and is specific for each signal produced by a well-defined set of acquisition parameters.
authors.affiliation: 1Dipartimento di Ingegneria Civile, Ambientale, del Territorio, Edile e di Chimica, Politecnico di Bari, Via Orabona 4 CAMPUS, I-70125, Bari, Italy.|2SAMER (Special Agency of the Chamber of Commerce of Bari), Via E. Mola 19, I-70121, Bari, Italy.|3Innovative Solutions S.r.l., Spin Off del Politecnico di Bari, Zona H 150/B, I-70015, Noci, Bari, Italy.
authors.forename: Vito
authors.initials: V
authors.lastname: Gallo
authors.affiliation: 3Innovative Solutions S.r.l., Spin Off del Politecnico di Bari, Zona H 150/B, I-70015, Noci, Bari, Italy.
authors.forename: Nicola
authors.initials: N
authors.lastname: Intini
authors.affiliation: 1Dipartimento di Ingegneria Civile, Ambientale, del Territorio, Edile e di Chimica, Politecnico di Bari, Via Orabona 4 CAMPUS, I-70125, Bari, Italy.|3Innovative Solutions S.r.l., Spin Off del Politecnico di Bari, Zona H 150/B, I-70015, Noci, Bari, Italy.
authors.forename: Piero
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authors.lastname: Mastrorilli
authors.affiliation: 1Dipartimento di Ingegneria Civile, Ambientale, del Territorio, Edile e di Chimica, Politecnico di Bari, Via Orabona 4 CAMPUS, I-70125, Bari, Italy.|3Innovative Solutions S.r.l., Spin Off del Politecnico di Bari, Zona H 150/B, I-70015, Noci, Bari, Italy.
authors.forename: Mario
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authors.lastname: Latronico
authors.forename: Pasquale
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authors.lastname: Assfalg
authors.forename: Francesca
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authors.lastname: Benevelli
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authors.initials: LR
authors.lastname: Cagliani
authors.forename: Luca
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authors.lastname: Casadei
authors.forename: Flaminia
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authors.lastname: Cesare Marincola
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authors.forename: Cesare
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authors.lastname: Davalli
authors.forename: Sandra A
authors.initials: SA
authors.lastname: De Pascali
authors.forename: Virginia
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authors.lastname: D'Aiuto
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authors.lastname: Faccini
authors.forename: Roberto
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authors.forename: Raffaele
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authors.forename: Francesco
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authors.forename: Pierluigi
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authors.lastname: Mazzei
authors.forename: Ileana
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authors.forename: Adele
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authors.forename: Claudia
authors.initials: C
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authors.forename: Thelma
authors.initials: T
authors.lastname: Pertinhez
authors.affiliation: 1Dipartimento di Ingegneria Civile, Ambientale, del Territorio, Edile e di Chimica, Politecnico di Bari, Via Orabona 4 CAMPUS, I-70125, Bari, Italy.
authors.forename: Antonino
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authors.lastname: Rocchigiani
authors.forename: Elisabetta
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authors.forename: Mariacristina
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authors.lastname: Valerio