A novel chemometric classification for FTIR spectra of mycotoxin-contaminated maize and peanuts at regulatory limits.

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2016
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Abstract
The rapid identification of mycotoxins such as deoxynivalenol and aflatoxin B in agricultural commodities is an ongoing concern for food importers and processors. While sophisticated chromatography-based methods are well established for regulatory testing by food safety authorities, few techniques exist to provide a rapid assessment for traders. This study advances the development of a mid-infrared spectroscopic method, recording spectra with little sample preparation. Spectral data were classified using a bootstrap-aggregated (bagged) decision tree method, evaluating the protein and carbohydrate absorption regions of the spectrum. The method was able to classify 79% of 110 maize samples at the European Union regulatory limit for deoxynivalenol of 1750 µg kg and, for the first time, 77% of 92 peanut samples at 8 µg kg of aflatoxin B. A subset model revealed a dependency on variety and type of fungal infection. The employed CRC and SBL maize varieties could be pooled in the model with a reduction of classification accuracy from 90% to 79%. Samples infected with Fusarium verticillioides were removed, leaving samples infected with F. graminearum and F. culmorum in the dataset improving classification accuracy from 73% to 79%. A 500 µg kg classification threshold for deoxynivalenol in maize performed even better with 85% accuracy. This is assumed to be due to a larger number of samples around the threshold increasing representativity. Comparison with established principal component analysis classification, which consistently showed overlapping clusters, confirmed the superior performance of bagged decision tree classification.
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kos2016afood Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Kos, Gregor;Sieger, Markus;McMullin, David;Zahradnik, Celine;Sulyok, Michael;Öner, Tuba;Mizaikoff, Boris;Krska, Rudolf;
Journal food additives & contaminants part a, chemistry, analysis, control, exposure & risk assessment
Year 2016
DOI
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Keywords
cereals chemometrics aflatoxins peanuts analysis – mir trichothecenes

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