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Chemometric methods in NMR spectroscopic analysis of food products

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Abstract

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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  1. Chemisches und Veterinäruntersuchungsamt Karlsruhe, Weissenburger Str. 3, 76187, Karlsruhe, Germany

    Yu. B. Monakhova, T. Kuballa & D. W. Lachenmeier

  2. Bruker Biospin GmbH, Silberstreifen 4, 76287, Rheinstetten, Germany

    Yu. B. Monakhova

  3. Institute of Chemistry, Saratov State University, Astrakhanskaya str. 83, Saratov, 410012, Russia

    Yu. B. Monakhova

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  1. Yu. B. Monakhova
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  2. T. Kuballa
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Original Russian Text © Yu.B. Monakhova, T. Kuballa, D.W. Lachenmeier, 2013, published in Zhurnal Analiticheskoi Khimii, 2013, Vol. 68, No. 9, pp. 837–849.

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Monakhova, Y.B., Kuballa, T. & Lachenmeier, D.W. Chemometric methods in NMR spectroscopic analysis of food products. J Anal Chem 68, 755–766 (2013). https://doi.org/10.1134/S1061934813090098

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