Journal
LWT-FOOD SCIENCE AND TECHNOLOGY
Volume 79, Issue -, Pages 126-134Publisher
ELSEVIER
DOI: 10.1016/j.lwt.2017.01.026
Keywords
Canonical; Partial least squares; Chemometrics; Scatter correction; Savitzy-Golay
Categories
Funding
- Peruvian National Programme of Scholarships and Student Loans (PRONABEC) [183308]
- Portuguese Foundation for Science and Technology (FCT) through the award of a five-year Investigator Fellowship (IF) [IF/00570]
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The aim of this study was to develop robust chemometric models for the routine determinatioh of dietary constituents of quinoa (Chenopodium quinoa Willd.) using Near-Infrared Transmission (NIT) spectroscopy. Spectra of quinoa grains of 77 cultivars were acquired while dietary constituents were determined by reference methods. Spectra were subjected to multiplicative scatter correction (MSC) or extended multiplicative signal correction (EMSC), and were (or not) treated by Savitzky-Golay (SG) filters. Latent variables were extracted by partial least squares regression (PLSR) or canonical powered partial least squares (CPPLS) algorithms, and the accuracy and predictability of all modelling strategies were compared. Smoothing the spectra improved the accuracy of the models for fat (root mean square error of cross-validation, RMSECV: 0.319-0.327%), ashes (RMSECV: 0.224-0.230%), and particularly for protein (RMSECV: 0.518-0.564%) and carbohydrates (RMSECV: 0.542-0.559%), while enhancing the prediction performance, particularly, for fat (root mean square error of prediction, RMSEP: 0.248-0.335%) and ashes (RMSEP: 0.137-0.191%). Although the highest predictability was achieved for ashes (SG-filtered EMSC/PLSR: bootstrapped 90% confidence interval for RMSEP: [0.376-0.512]) and carbohydrates (SG-filtered MSC/CPPLS: 90% CI RMSEP: 10.651-0.901D, precision was acceptable for protein (SG-filtered MSC/CPPLS: 90% CI RMSEP: [0.650-0.852]), fat (SG-filtered EMSC/CPPLS: 90% CI RMSEP: [0.478-0.654]) and moisture (non-filtered EMSC/PLSR: 90% CI RMSEP: [0.658-0.833]). (C) 2017 Elsevier Ltd. All rights reserved.
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