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Chemometric methods in NMR spectroscopic analysis of food products

Journal

JOURNAL OF ANALYTICAL CHEMISTRY
Volume 68, Issue 9, Pages 755-766

Publisher

PLEIADES PUBLISHING INC
DOI: 10.1134/S1061934813090098

Keywords

NMR spectroscopy; chemometrics; food analysis; adulteration; principal component analysis; projections to latent structures

Funding

  1. German Academic Exchange Service (DAAD)
  2. Ministry of Education and Science of the Russian Federation [2.2.2.3/9033]

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The main achievements of high-resolution NMR spectroscopy in combination with different chemometric methods in the analysis of food products in the last 40 years are reviewed. The essence of chemometric methods used for the analysis and interpretation of NMR spectra is briefly described. Sample preparation for NMR-spectroscopic analysis is characterized. Methods for the mathematical treatment of NMR spectra (smoothing, Fourier transformation, bucketing, normalization, and selection of spectral ranges) are considered. Currently available methods for the suppression of the signals of macrocomponents, including those for the simultaneous suppression of several signals, are described. The results are illustrated based on examples of analysis of different classes of foodstuffs and beverages with the use of NMR spectroscopy and chemometric methods for classification and discrimination (geographical and botanical origin as well as validating checking the brand authenticity).

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