Differences in metabolomic profiles of the naturally contaminated grain of barley, oats and rye

Studies of a spectrum of metabolites found in cereals are becoming one of the primary tools for evaluating their susceptibility to the effects of various environmental agents, such as: pathogens, temperature and precipitation. In order to reduce the effect of the environmental conditions, cultivars were grown under identical cultivation conditions.This study aimed to construct a model to differentiate infected from non-infected cereals by developing the metabolomic profile of barley, oats and rye. Fungal and total microflora content, trichothecenes, fatty acids and volatile compounds were determined in the grains using GC/MS and en electronic nose. The most significant compounds in the construction of the model were established as the following volatiles: (E, E)-3,5 octadien 2-one, 1-heptanol, naphthalene, p-xylene and dimethyl sulphone; fatty acids: oleic acid (C18:1n-9), α-linolenic acid (C18:3n-3) and palmitoleic acid (C16:1n-7); mycotoxins: T-2, and HT-2 toxins and deoxynivalenol as well as the terpene: trichodiene. Chemometric techniques were established to enable the identification of the grains.Results indicate the necessity to extend the scope of analyses of cereals to include the metabolomic aspect. This will make it possible to identify a dependence between their most significant traits and will contribute to a better understanding of their cereal resistance mechanisms.

► Developed metabolomic profiles for grains of barley, oat and rye varied.
► Constructed model discriminated infected from non-infected grains.
►  Established chemometric techniques enable the identification of the grain.
► The most significant compounds in the construction of the model were established.