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. (Graph Presented).

Gallo, V., Intini, N., Mastrorilli, P., Latronico, M., Scapicchio, P., Triggiani, M., et al. (2015). Performance Assessment in Fingerprinting and Multi Component Quantitative NMR Analyses. ANALYTICAL CHEMISTRY, 87(13), 6709-6717 [10.1021/acs.analchem.5b00919].

Performance Assessment in Fingerprinting and Multi Component Quantitative NMR Analyses

Airoldi, C;
2015

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. (Graph Presented).
Articolo in rivista - Articolo scientifico
Analytical Chemistry, NMR spectroscopy, Quantitative NMR analysis, fingerprint
English
2015
87
13
6709
6717
reserved
Gallo, V., Intini, N., Mastrorilli, P., Latronico, M., Scapicchio, P., Triggiani, M., et al. (2015). Performance Assessment in Fingerprinting and Multi Component Quantitative NMR Analyses. ANALYTICAL CHEMISTRY, 87(13), 6709-6717 [10.1021/acs.analchem.5b00919].
File in questo prodotto:
File Dimensione Formato  
Paper.pdf

Solo gestori archivio

Tipologia di allegato: Publisher’s Version (Version of Record, VoR)
Dimensione 1.3 MB
Formato Adobe PDF
1.3 MB Adobe PDF   Visualizza/Apri   Richiedi una copia
Gallo-2015-Analytical Chemistry-VoR.pdf

Riservato

Descrizione: Article
Tipologia di allegato: Publisher’s Version (Version of Record, VoR)
Licenza: Tutti i diritti riservati
Dimensione 1.3 MB
Formato Adobe PDF
1.3 MB Adobe PDF   Visualizza/Apri   Richiedi una copia
Gallo-2015-Analytical Chemistry-preprint.pdf

Riservato

Descrizione: Article
Tipologia di allegato: Submitted Version (Pre-print)
Licenza: Tutti i diritti riservati
Dimensione 720.01 kB
Formato Adobe PDF
720.01 kB Adobe PDF   Visualizza/Apri   Richiedi una copia

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/89399
Citazioni
  • Scopus 43
  • ???jsp.display-item.citation.isi??? 35
Social impact