Distribution of Elements in Durum Wheat Seed and Milling Products: Discrimination between Cultivation Methods through Multivariate Data Analysis

Abstract

Many staple foods originate from durum wheat and its milling products; because of this, it is very important to know their characteristics. This study investigates elemental contents in these products and if differences exist because of organic farming. The concentrations of 28 elements in the whole seed and in milling products, that is, bran, semolina and flour, of durum wheat, were determined through ICP-OES. The wheats were grown under conventional or organic agronomic practices to verify the possibility of discriminating, using the elemental content, between products coming from one or the other practice. The elements were more abundant in the outer layer of the seed, the bran, but most of them were also present in the others. Traces of Sb were present only in 3% of the samples, while traces of Tl were detected in approximately half of the seed and bran samples but not in other samples. The absence of an element was more characteristic of specific products, e.g., most semolina and flour lacked Co, while other elements showed small differences between products from organic and conventional cultivation or between different milling products, which was the case, for example, for traces of Ag, B, and V. The concentrations of these elements were coupled with multivariate discriminant analysis, specifically PLS-DA, to identify the cultivation provenance of the milled products. A few elements, although different for each product, are sufficient to attain precision and accuracy of classification close to 1; small differences exist for different products. The worst is flour, where the predicted precision and accuracy are 0.92, although using only three elements: B, K, and Se. Semolina attains perfect prediction when also adding to the three previous elements, Ag, Cd, and Cu. Further elements are necessary for bran, while Fe and Mg replace K and Ag to classify seeds. In conclusion, five elements, B, Cd, Cu, K, and Se, are the most important in distinguishing between organic and conventional agriculture; these elements also permit some differentiation among products. The method could help in fraud prevention.

Keywords

• cereals
• wheat
• ICP-OES
• spectroscopy
• chemometrics
• classification