A5091318224- Metabolomics and Mass Spectrometry Studies
- Mycotoxins in Agriculture and Food
- Advanced Chemical Sensor Technologies
- Isotope Analysis in Ecology
- Plant Pathogens and Fungal Diseases
- Analytical Chemistry and Chromatography
- Plant Disease Resistance and Genetics
- Microbial Metabolic Engineering and Bioproduction
- Fermentation and Sensory Analysis
- Wheat and Barley Genetics and Pathology
- Horticultural and Viticultural Research
- Tea Polyphenols and Effects
- Bioinformatics and Genomic Networks
- Pesticide Residue Analysis and Safety
- Traditional Chinese Medicine Analysis
- Mass Spectrometry Techniques and Applications
- Computational Drug Discovery Methods
- Coconut Research and Applications
- Plant and fungal interactions
- Peanut Plant Research Studies
- Essential Oils and Antimicrobial Activity
- Plant-Microbe Interactions and Immunity
- Carcinogens and Genotoxicity Assessment
- RNA modifications and cancer
- Ginseng Biological Effects and Applications
BOKU University
2015-2024
Consejo Nacional de Investigaciones Científicas y Técnicas
2024
Naresuan University Hospital
2024
Universitätsklinikum Tulln
2024
University of Vienna
2021-2022
University of Applied Sciences Upper Austria
2012
In this study, a total of nine different biotransformation products the Fusarium mycotoxin deoxynivalenol (DON) formed in wheat during detoxification toxin are characterized by liquid chromatography-high resolution mass spectrometry (LC-HRMS). The detected metabolites suggest that DON is conjugated to endogenous via two major metabolism routes, namely 1) glucosylation (DON-3-glucoside, DON-di-hexoside, 15-acetyl-DON-3-glucoside, DON-malonylglucoside) and 2) glutathione conjugation...
Fusarium graminearum and related species commonly infest grains causing the devastating plant disease head blight (FHB) formation of trichothecene mycotoxins. The most relevant toxin is deoxynivalenol (DON), which acts as a virulence factor pathogen. FHB difficult to control resistance this polygenic trait, mainly mediated by quantitative trait loci (QTL) Fhb1 Qfhs.ifa-5A. In study we established targeted GC–MS based metabolomics workflow comprising standardized experimental setup for...
To investigate the metabolic fate of HT-2 toxin (HT2) and T-2 (T2) in wheat (Triticum aestivum L.), an untargeted metabolomics study utilizing stable isotopic labeling liquid chromatography–high resolution mass spectrometry was performed. In total, 11 HT2 12 T2 derived planta biotransformation products were annotated putatively. addition to previously reported mono- diglucosylated forms HT2, evidence for formation HT2-malonyl-glucoside feruloyl-T2, as well acetylation deacetylation obtained...
Many metabolomics studies use mixtures of (acidified) methanol and water for sample extraction. In the present study, we investigated if extraction with can result in artifacts. To this end, wheat leaves were extracted native deuterium-labeled water, or without 0.1% formic acid. Subsequently, extracts analyzed immediately after storage at 10 °C, −20 °C −80 an HPLC-HESI-QExactive HF-Orbitrap instrument. Our results showed that 88 (8%) >1100 detected compounds derived from reaction either...
An untargeted screening strategy for the detection of biotransformation products xenobiotics using stable isotopic labelling (SIL) and liquid chromatography-high resolution mass spectrometry (LC-HRMS) is reported. The organism interest treated with a mixture labelled non-labelled precursor samples are analysed by LC-HRMS. Raw data processed recently developed MetExtract software automated extraction corresponding peak pairs. SIL-assisted approach exemplified metabolisation Fusarium mycotoxin...
Metabolomics has emerged as the latest of so-called "omics" disciplines and great potential to provide deeper understanding fundamental biochemical processes at biological system level. Among recent technological developments, LC-HRMS enables determination hundreds thousands metabolites over a wide range concentrations developed into one most powerful techniques in non-targeted metabolomics. The analysis mixtures in-vivo-stable isotopic-labeled samples or reference substances with un-labeled...
The evaluation of extraction protocols for untargeted metabolomics approaches is still difficult. We have applied a novel stable isotope-assisted workflow LC-HRMS-based plant , which allows the first time every detected feature to be considered method evaluation. efficiency and complementarity commonly used solvents, namely 1 + 3 (v/v) mixtures water selected organic solvents (methanol, acetonitrile or methanol/acetonitrile (v/v)), with without addition 0.1% formic acid were compared. Four...
Many untargeted LC-ESI-HRMS based metabolomics studies are still hampered by the large proportion of non-biological sample derived signals included in generated raw data. Here, a novel, powerful stable isotope labelling (SIL)-based workflow is presented, which facilitates global metabolome extraction, improved metabolite annotation and wide internal standardisation (IS). The general concept exemplified with two different cultivation variants, (1) co-cultivation plant pathogenic fungi...
Stable isotope labeling (SIL) techniques have the potential to enhance different aspects of liquid chromatography–high-resolution mass spectrometry (LC-HRMS)-based untargeted metabolomics methods including metabolite detection, annotation unknown metabolites, and comparative quantification. In this work, we present MetExtract II, a software toolbox for detection biologically derived compounds. It exploits SIL-specific patterns elution profiles in LC-HRMS(/MS) data. The consists three...
Significance Fungi produce a vast number of different chemical compounds via secondary metabolism. These are great interest because their potential applicability in medicine, pharmacy, and biotechnology. In addition, such toxins that potentially represent severe threats to human animal health. However, under standard cultivation conditions, fungal metabolism remains largely inactive. Here, we show the deletion regulator Xylanase promoter binding protein 1 (Xpp1) results production...
Abstract Volatile organic compounds (VOCs) are produced by soil‐borne microorganisms and play crucial roles in fungal interactions with plants phytopathogens. Although VOCs have been characterized Trichoderma spp., the mechanisms against phytopathogens strongly differ according to strain pathosystem. This study aimed at characterizing three strains used as biofungicides investigate their effects grapevine downy mildew (caused Plasmopara viticola ). A VOC‐mediated reduction of severity was...
Abstract Motivation: Liquid chromatography–mass spectrometry (LC/MS) is a key technique in metabolomics. Since the efficient assignment of MS signals to true biological metabolites becomes feasible combination with vivo stable isotopic labelling, our aim was provide new software tool for this purpose. Results: An algorithm and program (MetExtract) have been developed search labelled samples. The makes use chromatographic characteristics LC/MS data detects peaks fulfilling criteria labelling....
An extensive study of the metabolism type A trichothecene mycotoxins HT-2 toxin and T-2 in barley using liquid chromatography coupled to high-resolution mass spectrometry (LC-HRMS) is reported. recently developed untargeted approach based on stable isotopic labelling, LC-Orbitrap-MS analysis with fast polarity switching data processing by MetExtract software was combined targeted LC-Q-TOF-MS(/MS) for metabolite structure elucidation quantification. In total, 9 13 metabolites plus tentative...
Untargeted metabolomics promises comprehensive characterization of small molecules in biological samples. However, the field is hampered by low annotation rates and abstract spectral data. Despite recent advances computational metabolomics, manual annotations confirmation in-silico remain important field. Here, exploratory data analysis methods for mass provide overviews, prioritization, structural hypothesis starting points to researchers facing large quantities In this research, we propose...
Abstract Fusarium head blight is a prevalent disease of bread wheat (Triticum aestivum L.), which leads to considerable losses in yield and quality. Quantitative resistance the causative fungus graminearum poorly understood. We integrated transcriptomics metabolomics data dissect molecular response its main virulence factor, toxin deoxynivalenol near-isogenic lines segregating for two quantitative trait loci, Fhb1 Qfhs.ifa-5A. The sets portrait rearrangements primary metabolism translational...
Volatile organic compounds (VOCs) play a crucial role in the communication of plants with other organisms and are possible mediators plant defence against phytopathogens. Although non-volatile secondary metabolites has been largely characterised resistant genotypes, contribution VOCs to grapevine mechanisms downy mildew (caused by Plasmopara viticola) not yet investigated. In this study, more than 50 from leaves were annotated/identified headspace-solid-phase microextraction gas...
An untargeted metabolomics workflow for the detection of metabolites derived from endogenous or exogenous tracer substances is presented. To this end, a recently developed stable isotope-assisted LC–HRMS-based global annotation biological samples has been further and extended. For arising labeled substances, isotope pattern recognition adjusted to account nonlabeled moieties conjugated native molecules. Furthermore, extended by (i) an optional ion intensity ratio check, (ii) automated...
Abstract Motivation Chromatographic peak picking is among the first steps in data processing workflows of raw LC-HRMS datasets untargeted metabolomics applications. Its performance crucial for holistic detection all metabolic features as well their relative quantification statistical analysis and metabolite identification. Random noise, non-baseline separated compounds unspecific background signals complicate this task. Results A machine-learning-based approach entitled PeakBot was developed...
Abstract High-resolution mass spectrometers, particularly when paired with liquid chromatography, are the instrument of choice for untargeted metabolomics approaches. Instruments, such as Orbitrap, offer high sensitivity, selectivity, and exceptional accuracy, though they pose certain technical challenges, complicating absolute comparative quantification. Consequently, method validation is crucial to ensure reliable results, approaches require detection quantification a large number...
Folate metabolism is intricately linked to purine de novo synthesis through the incorporation of folate-derived one-carbon units into scaffold. Here, we investigate chemical and genetic dependencies caused by mutations in folate enzyme MTHFD1 discover a key role for Nudix hydrolase 5 (NUDT5) regulating synthesis. Through knockout development selective NUDT5 degrader, uncover an unprecedented scaffolding rather than enzymatic activity responsible this phenotype. We find that interacts with...
The major Fusarium mycotoxin deoxynivalenol (DON) is a virulence factor in wheat and has also been shown to induce defense responses host plant tissue. In this study, global tracer labeling with 13C were combined annotate the overall metabolome of ears evaluate response phenylalanine related pathways upon treatment DON. At anthesis, resistant susceptible cultivars as well two near isogenic lines (NILs) differing presence/absence resistance QTL Fhb1 infiltrated 1 mg DON or water (control)...
The Fusarium mycotoxins HT-2 toxin (HT2) and T-2 (T2) are frequent contaminants in oats. These toxins, but also their plant metabolites, may contribute to toxicological effects. This work describes the use of 13C-assisted liquid chromatography–high-resolution mass spectrometry for first comprehensive study on biotransformation HT2 T2 Using this approach, 16 17 metabolites were annotated including novel glycosylated hydroxylated forms hydrolysis products, conjugates with acetic acid, putative...