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MetabolomicsMachine Learning-Based Retention Time Prediction of Trimethylsilyl Derivatives of Metabolites
In gas chromatography-mass spectrometry-based untargeted metabolomics, metabolites are identified by comparing mass spectra and chromatographic retention time with reference databases or standard materials. In that sense, machine learning has been used to predict the retention time of metabolites la...
2022-05-26 | MTBLS2841 | MetaboLights
MetabolomicsA novel strategy for mining and identification of acylcarnitines using data-independent-acquisition (DIA) based retention time prediction modeling and pseudo-characteristic fragmentation ions matching
It is a challenging work to screen, identify, and quantify acylcarnitines in complex biological samples. A method, based on the retention time (RT) prediction and data-independent acquisition strategies, was proposed for the large-scale identification of acylcarnitines using liquid chromatography co...
2021-10-06 | MTBLS1932 | MetaboLights
MetabolomicsCombining peak- and chromatogram-based retention time alignment algorithms for multiple chromatography-mass spectrometry datasets
Spring wheat (Triticum aestivum L.) was grown in a free-air carbon dioxide (CO2) enrichment (FACE) field experiment. Grain and biomass yield and its components were determined at maturity and the grain metabolome was analysed by gas chromatography-mass spectrometry (GC-MS) for elevated and ambient C...
2012-09-21 | MTBLS21 | MetaboLights
MetabolomicsIntegration of time-series meta-omics data reveals how microbial ecosystems respond to disturbance
The development of reliable, mixed-culture biotechnological processes hinges on understanding how microbial ecosystems respond to disturbances. Here we reveal extensive phenotypic plasticity and niche complementarity in oleaginous microbial populations from a biological wastewater treatment plant. W...
2021-04-06 | MTBLS2021 | MetaboLights
MetabolomicsTime-Resolved Microbiome–Metabolome Remodeling Reveals Biotransformation Patterns in Liquid-Fermented Dendrobium officinale Flowers
This study investigated temporal metabolomic changes during a 60-day mixed-culture liquid fermentation of Dendrobium officinale flowers. Fermentation supernatants were collected at days 10, 20, 30, 40, 50, and 60, with six biological replicates at each time point. Untargeted LC-MS/MS analysis was pe...
2026-07-22 | MTBLS15132 | MetaboLights
MetabolomicsCreating a Reliable Mass Spectral–Retention Time Library for All Ion Fragmentation-Based Metabolomics

Accurate metabolite identification remains one of the primary challenges in a metabolomics study. A reliable chemical spectral library increases the confidence in annotation, and the availability of raw and annotated data in public databases facilitates the transfer of Liquid chromatography coupl...

2019-10-30 | MTBLS1040 | MetaboLights
MetabolomicsTime-Restricted Feeding Orchestrates Astrocytic Metabolic Reprogramming via the Wnt Pathway to Alleviate Sevoflurane-Induced Neural Injury

Perioperative neurocognitive disorders (PND) pose a significant challenge for aging surgical patients, with sevoflurane anesthesia being an identified risk factor. Time-restricted feeding (TRF), a dietary regimen, shows promise in mitigating age-related cognitive decline, but its efficacy and mec...

2026-02-17 | MTBLS13891 | MetaboLights
MetabolomicsTime-dependent stability of plasma and liver interstitial fluid metabolites during sample handling in mice

This study assesses the stability of metabolite levels in plasma and liver interstitial fluid (IF) from mice subjected to different handling times prior to extraction. Blood and tissues from female C57BL/6J mice were collected and either processed immediately or held on ice for 5, 10, or 30 minut...

2025-12-30 | MTBLS13164 | MetaboLights
MetabolomicsTime-resolved decoding of metabolic signatures of in vitro growth of the hemibiotrophic pathogen Colletotrichum sublineolum
Metabolomics has emerged as a powerful approach to comprehensively interrogate cellular biochemistry. As such, we applied an untargeted liquid chromatography-mass spectrometry metabolomic strategy to elucidate metabolome changes in the anthracnose-causing hemibiotrophic sorghum pathogen, Colletotric...
2022-05-30 | MTBLS735 | MetaboLights
MetabolomicsElucidations on the structures of some putative flavonoids identified in postharvest withered grapes (Vitis vinifera L.) by quadrupole time-of-flight mass spectrometry
Grape dehydration is an oenological process used for production of high-quality reinforced and sweet wines. High-resolution mass spectrometry (ultrahigh-performance liquid chromatography/quadrupole time-of-flight [UHPLC/QTOF]) was used to deepen the characterization of some flavonoids previously pro...
2021-12-09 | MTBLS1804 | MetaboLights
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