1. Compact low-field NMR spectroscopy and chemometrics applied to the analysis of edible oils
- Author
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Diego Galvan, Evandro Bona, Ernesto Danieli, Ailey Aparecida Coelho Tanamati, Federico Casanova, and Mario Henrique M. Killner
- Subjects
Materials science ,Magnetic Resonance Spectroscopy ,Field (physics) ,010401 analytical chemistry ,Fatty Acids ,Analytical chemistry ,Reproducibility of Results ,04 agricultural and veterinary sciences ,General Medicine ,Nuclear magnetic resonance spectroscopy ,040401 food science ,01 natural sciences ,0104 chemical sciences ,Analytical Chemistry ,Chemometrics ,Iodine value ,0404 agricultural biotechnology ,Partial least squares regression ,Calibration ,Plant Oils ,Sample preparation ,Least-Squares Analysis ,Spectroscopy ,Food Science - Abstract
Compact nuclear magnetic resonance (NMR) spectroscopy combined with chemometric tools opens new perspectives for NMR use. This work compares the potential of 43, 60 and 400 MHz NMR spectroscopy for quality control of edible oils. Partial least squares regression (PLSR) and support vector regression (SVR) models built on the three NMR devices had equivalent performances for fatty acids and iodine value, and the models built with the low field spectra were equivalent to the high field. Moreover, performances for calibration indicated that most of the models built with medium/or high-resolution fields presented reproducibility values lower than the minimum accepted by the American Oil Chemists' Society (AOCS). Compared to classical methods, this new approach allows the application of medium resolution devices as a sample screening tool in analytical laboratories since it allows the spectrum obtention in a few seconds, without the need for sample preparation or the use of deuterated solvents.
- Published
- 2021