FL 02 - Non-targeted analysis on wheat
FL 02 - Non-targeted analysis on wheat
for the discovery and identification of
for the discovery and identification of
polyphenolic markers
polyphenolic markers
Wheat (Triticum aestivum L.) is one of the most widely cultivated crops and consumed cereal globally. It contains significant amounts of bioactive dietary compounds, notably polyphenols [1]. Non-targeted analysis (NTA) using high-resolution mass spectrometry enables the detection and identification of unknown compounds across diverse matrices, serving as a valuable exploratory tool prior to targeted analysis. In this study, NTA was employed to discover and identify potential polyphenolic markers for distinguishing wheat varieties and their geographical origin, with the aim of contributing to quality assessment and traceability.
Wheat samples from different regions of Italy and from two different varieties were extracted, testing three different extraction protocols, including, for example, a simple fractionated extraction method, first with an apolar solvent (i.e. methyl tert-butyl ether), followed by a more polar solvent (methanol-water) [2]. The extracts were analyzed using high-resolution liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (LC-QTOF-MS), applying both Full Scan and SWATH™ data-independent acquisition modes. The SWATH™ approach enabled comprehensive MS/MS data collection across the entire chromatographic range. Non-targeted data processing was carried out using MarkerView® 1.3.1 software.
After preprocessing (noise reduction, blank subtraction, spectral deconvolution, and chromatogram alignment), molecular features were characterized using exact mass and isotopic pattern. Principal Component Analysis (PCA) with Pareto scaling was applied to the detected features to compare the polyphenolic profiles. This approach enabled the identification of specific polyphenolic markers that discriminate between wheat varieties.
Ma, Dongyun, et al. "Wheat grain phenolics: a review on composition, bioactivity, and influencing factors." Journal of the Science of Food and Agriculture 101.15 (2021): 6167-6185
Salem, Mohamed, et al. "A simple fractionated extraction method for the comprehensive analysis of metabolites, lipids, and proteins from a single sample." JoVE (Journal of Visualized Experiments) 124 (2017): e55802.