Geographical origin of durum wheat studied by ¹H‐NMR profiling

Abstract

(1)H-Nuclear magnetic resonance (NMR) spectroscopy was used to detect metabolic profiles of wheat flour samples of different geographical and botanical origin. The NMR profiles were analyzed by multivariate statistical techniques in order to establish the origin of the samples. A linear model, able to discriminate among three different locations, was built achieving a prediction level of about 80% of correctly assigned samples. The principal classes of compounds responsible for the geographic origin discrimination were individuated in aromatic compounds and amino acids. The statistical modeling also indicated that botanical origin information is very poor in the NMR profiles of the analyzed wheat samples.

Characterization of the Geographical and Varietal Origin of Wheat and Bread by Means of Nuclear Magnetic Resonance (NMR), Isotope Ratio Mass Spectrometry (IRMS) Methods and Chemometrics: A Review

“…In a paper from Lamanna et al [25], 1 H-NMR was used to detect metabolic profiles of wheat flours samples of different geographical and botanical origin. For the experiments, 100 durum wheat farms falling within the Altamura, Minervino and Poggiorsini locations (Apulia region, Southern Italy) were considered.…”

Identification of milk mixtures by 1H NMR profiling

“…To further reduce the number of variables, retaining only those significant for individuating the origin of the milk samples, we performed the ANOVA. [20,24,40,41] A reduced number of variables were selected according to their F of Fisher, with the variables with the highest F being retained. The F of Fisher, of a given variable, is defined as the ratio of the 'between group variability' and the 'within group variability'; thus, it measures the discriminant power of the variable considered.…”

“…Through the bucketing procedure, the whole milk spectrum was reduced to 328 variables, which were still too many compared with the number of samples, in order to avoid the overfitting phenomena. To further reduce the number of variables, retaining only those significant for individuating the origin of the milk samples, we performed the ANOVA . A reduced number of variables were selected according to their F of Fisher, with the variables with the highest F being retained.…”

Multi‐isotopic signatures of organic and conventional Italian pasta along the production chain

“…Some studies have focused on verification of the geographical origin of wheat by using different approaches: e.g. multi‐elemental analysis and/or stable isotope analysis of several light or heavy mass elements including H, C, N, O, S and Sr, 1 H‐NMR profiling and near‐infrared reflectance spectroscopy. Only a limited number of studies have focused on discriminating organic and conventional wheat (both bread and durum) and cereals in general …”