Omics data reveals the phenolic fingerprint of Brazilian whole wheat flours of different technological qualities.

Common wheat (Triticum aestivum) is one of the most consumed staple foods used for bakery products. Outer layers of grain present a great diversity of bioactive compounds, especially phenolic compounds (PC). Free and bound PC were extracted from eight genotypes of whole wheat flours (WWF) presenting different technological classifications. These extracts were comprehensively characterized through untargeted metabolomics applying ultra-high-performance liquid chromatography-mass spectrometry (UHPLC-MSE) and spectrophotometric analyses. Chemical composition and colorimetry were also determined by classical analyses. Thirty-eight PC were tentatively identified by UHPLC-MSE belonging to three classes (phenolic acids, flavonoids, and other polyphenols), some of them identified in all WWF samples. Bound hydroxycinnamic acids were the main PC found in WWF, especially the trans-ferulic acid and its isomer. No difference was found in starch and protein contents, whereas low-quality flours showed a higher ash content than the superior and medium-quality flours. Total phenolic content (TPC) ranged between 124.5 and 171.4 mg GAE/100 g WWF, which bound PC were responsible for 60% of TPC. Omics data and multivariate statistical analyses were successfully applied to discern the phenolic profile of WWF from different genotypes and technological qualities. Supplementary Information: The online version contains supplementary material available at 10.1007/s13197-023-05665-8.

Rice Bran Lipidome Identifies Novel Phospholipids, Glycolipids, and Oxylipins with Roles in Lipid Metabolism of Hypercholesterolemic Children.

SCOPE: The purpose of the study is to characterize the chemical diversity in rice bran (RB) lipidome and determines whether daily RB consumption for 4 weeks may modulate plasma lipid profiles in children. METHODS AND RESULTS: Untargeted and targeted lipidomics via ultra-performance liquid chromatography coupled with high-resolution tandem mass spectrometry (UPLC-MS/MS) are applied to identify bioactive RB lipids from a collection of 17 rice varieties. To determine the impact of RB (Calrose-USA variety) supplementation on plasma lipid profile, a secondary analysis of plasma lipidome is conducted on data recorded in a clinical study (NCT01911390, n = 18 moderately hypercholesterolemic children) before and after 4 weeks of dietary intervention with a control or RB supplemented (15 g day-1 ) snack. Untargeted lipidomic reveals 118 lipids as the core of lipidome across all varieties among which phospholipids are abundant and oxylipins present. Phytoprostanes and phytofurans are quantified and characterized. Lipidome analysis of the children plasma following RB consumption reveals the presence of polar lipids and oxylipins alongside putative modulations in endocannabinoids associated with RB consumption. CONCLUSION: The investigation of novel polar lipids, oxylipins, phytoprostanes, and phytofurans in RB extracts provides support for new health-promoting properties interesting for people at risk for cardiometabolic disease.

Effects of cooking on the phytochemical profile of breadfruit as revealed by high-resolution UPLC-MSE.

BACKGROUND: This study evaluated the impact of cooking on the profile of bioactive compounds in unripe breadfruit. To this end, the accessibility of bioactive compounds by various solvents was assessed through total phenolic content and antioxidant capacity analyses. The most efficient solvent was applied to extract the metabolites, which were evaluated by ultra-performance liquid chromatography coupled with high-resolution quadrupole time-of-flight mass spectrometry in MSE mode. RESULTS: Cooked and raw breadfruit presented total phenolic content and antioxidant capacities in almost all extracts, and pure water proved to be the best extractor. Globally, 146 bioactive compounds have been identified for both raw and cooked fruits' aqueous extracts. Most of these compounds were stable to the heat treatment applied (121 °C/10 min). However, results revealed that 22 metabolites contributed to significantly distinguishing the raw from the cooked samples. Among those, 15 compounds, such as pyrogallol, 1-acetoxypinoresinol, and scopolin, evidenced higher relative abundance in the cooked extracts. On the other hand, only seven metabolites, such as 4-hydroxyhippuric acid, epicatechin, and leptodactylone, decreased post-heating. CONCLUSIONS: Cooking promoted little alteration in the bioactive compounds profile of immature breadfruit and thus appears to be an exploitation alternative for this perishable fruit, which seems to be a source of a large range of bioactive compounds. © 2019 Society of Chemical Industry.

Metabolomic approach for characterization of phenolic compounds in different wheat genotypes during grain development.

The phenolic-profiling of seven different wheat (Triticum aestivum) genotypes was investigated for the first time during different stages of grain development (milky, softy, physiological maturity and mature). Free and bound phenolic compounds were extracted separately and analyzed by UPLC-QTOF-MSE. Total phenolic content significantly decreased, up to 50% depending on the genotype, towards the maturation of grain. The highest content (free and bound) was observed in the most immature grains, while the lowest level was found in mature grains (408.0 and 165.0 GAE mg/100 g, respectively). Globally, 237 phenolic compounds were identified, divided into 5 classes: flavonoids (85), phenolic acids (77), other polyphenols (51), lignans (16) and stilbenes (8). UPLC-MS results showed a progressively decrease of the number of phenolic identification (ID) all along grain development, milky (213), softy (192), physiological maturity (169) and mature (144). The proportion bound to free phenolic progressively increased, reaching the maximum at physiological maturity, indicating a possible enzymatic reactions and complexation during grain growth. Ferulic acid, diphyllin, 4-hydroxybenzoic acid, ferulic acid isomer, apigenin 7-O-apiosyl-glucoside isomer and myricetin isomer were the most abundant compounds. Chemometric tools showed a clear separation between immature and mature grain for all genotypes. Phenolic profile varied significantly among genotypes, this result can help the selection of varieties towards a higher retention of bioactive compounds. Noteworthy, immature wheat grains can be considered a rich source of phenolic compounds and as an attractive ingredient to incorporate to functional foods.

Dataset on phenolic profile of seven wheat genotypes along maturation.

This article contains data on phenolic-profiling of seven wheat genotypes along maturation (softy, milky, physiological maturity and mature). This supplementary data is related to research "Metabolomic approach for characterization of phenolic compounds in different wheat genotypes during grain development" (Santos et al., 2018). Briefly, free and bound phenolic compounds were extracted with 80% ethanol (v/v) and hydrolysis processes, respectively. The aliquots resultants were separated by ultra-performance liquid chromatography (UPLC) and analyzed by quadrupole time-of-flight mass spectrometry (QTOF). Data were acquired using a multiplexed MS/MS acquisition with alternating low and high energy acquisition (MSE). The phenolic compounds with their respective abundances are showed here through characterization table and multivariate analysis (hierarchical cluster analysis-HCA-and principal component analysis-PCA).