ArticleMetabolomics : Official journal of the Metabolomic Society2021
Comprehensive profiling of semi-polar phytochemicals in whole wheat grains (Triticum aestivum) using liquid chromatography coupled with electrospray ionization quadrupole time-of-flight mass spectrometry.
Article in Metabolomics : Official journal of the Metabolomic Society, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
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8 citing papers in PubMed, 16 citations in OpenAlex.
- Insights into Phenolamides in Whole Grain Barley: Chemical Profile and Their Levels in Barley-Based Products.Journal of agricultural and food chemistry · 2025Article
- Characterization and Potential Role of Fatty Acid-Solamine Conjugates in Plant Defense against Herbivores and Pathogens in Wild Potato Species.Journal of agricultural and food chemistry · 2025Article
- Investigation of the reproducibility of the treatment efficacy of a commercial bio stimulant using metabolic profiling on flax.Metabolomics : Official journal of the Metabolomic Society · 2024Article
- Overview of the Metabolite Composition and Antioxidant Capacity of Seven Major and Minor Cereal Crops and Their Milling Fractions.Journal of agricultural and food chemistry · 2024Article
- NMR and LC-MS-based metabolomics to investigate the efficacy of a commercial bio stimulant for the treatment of wheat (Triticum aestivum).Metabolomics : Official journal of the Metabolomic Society · 2024Article
- Metabolite profiling of Borneo's Gonystylus bancanus through comprehensive extraction from various polarity of solvents.Scientific reports · 2023Article
- Metabolite Profiling and Bioassay-Guided Fractionation ofMolecules (Basel, Switzerland) · 2022Article
- The Effect of Whole-Grain Diet on the Gut Microbiota of the Elderly Individuals.Frontiers in nutrition · 2022Article
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
introductionWheat (Triticum aestivum) it is one of the most important staple food crops worldwide and represents an important resource for human nutrition. Besides starch, proteins and micronutrients wheat grains accumulate a highly diverse set of phytochemicals.
objectivesThis work aimed at the development and validation of an analytical workflow for comprehensive profiling of semi-polar phytochemicals in whole wheat grains.
methodReversed-phase ultra-high performance liquid chromatography coupled with electrospray ionization quadrupole time-of-flight mass spectrometry (UHPLC/ESI-QTOFMS) was used as analytical platform. For annotation of metabolites accurate mass collision-induced dissociation mass spectra were acquired and interpreted in conjunction with literature data, database queries and analyses of reference compounds.
resultsBased on reversed-phase UHPLC/ESI-QTOFMS an analytical workflow for comprehensive profiling of semi-polar phytochemicals in whole wheat grains was developed. For method development the extraction procedure and the chromatographic separation were optimized. Using whole grains of eight wheat cultivars a total of 248 metabolites were annotated and characterized by chromatographic and tandem mass spectral data. Annotated metabolites comprise hydroquinones, hydroxycinnamic acid amides, flavonoids, benzoxazinoids, lignans and other phenolics as well as numerous primary metabolites such as nucleosides, amino acids and derivatives, organic acids, saccharides and B vitamin derivatives. For method validation, recovery rates and matrix effects were determined for ten exogenous model compounds. Repeatability and linearity were assessed for 39 representative endogenous metabolites. In addition, the accuracy of relative quantification was evaluated for six exogenous model compounds.
conclusionsIn conjunction with non-targeted and targeted data analysis strategies the developed analytical workflow was successfully applied to discern differences in the profiles of semi-polar phytochemicals accumulating in whole grains of eight wheat cultivars.
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