Journal
FOOD CHEMISTRY
Volume 199, Issue -, Pages 675-683Publisher
ELSEVIER SCI LTD
DOI: 10.1016/j.foodchem.2015.12.064
Keywords
NMR-based metabolomics; Olive oil; Cultivar classification; Inter-laboratory comparison; Data pre-processing; Multivariate statistical analysis
Funding
- Italian Ministry of University and Research-MIUR [PON01_01958 PIVOLIO]
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Nuclear Magnetic Resonance (NMR) spectroscopy is emerging as a powerful technique in olive oil fingerprinting, but its analytical robustness has to be proved. Here, we report a comparative study between two laboratories on olive oil H-1 NMR fingerprinting, aiming to demonstrate the robustness of NMR-based metabolomics in generating comparable data sets for cultivar classification. Sample preparation and data acquisition were performed independently in two laboratories, equipped with different resolution spectrometers (400 and 500 MHz), using two identical sets of mono-varietal olive oils. Partial Least Squares (PLS)-based techniques were applied to compare the data sets produced by the two laboratories. Despite differences in spectrum baseline, and in intensity and shape of peaks, the amount of shared information was significant (almost 70%) and related to cultivar (same metabolites discriminated between cultivars). In conclusion, regardless of the variability due to operator and machine, the data sets from the two participating units were comparable for the purpose of classification. (C) 2015 Elsevier Ltd. All rights reserved.
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