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MetaboAnalystR 4.0: a unified LC-MS workflow for global metabolomics
The wide applications of liquid chromatography - mass spectrometry (LC-MS) in untargeted metabolomics demand an easy-to-use, comprehensive...
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Reverse metabolomics for the discovery of chemical structures from humans
Determining the structure and phenotypic context of molecules detected in untargeted metabolomics experiments remains challenging. Here we present...
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Simultaneously discovering the fate and biochemical effects of pharmaceuticals through untargeted metabolomics
Untargeted metabolomics is an established approach in toxicology for characterising endogenous metabolic responses to xenobiotic exposure. Detecting...
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Optimising a urinary extraction method for non-targeted GC–MS metabolomics
Urine is ideal for non-targeted metabolomics, providing valuable insights into normal and pathological cellular processes. Optimal extraction is...
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Open access repository-scale propagated nearest neighbor suspect spectral library for untargeted metabolomics
Despite the increasing availability of tandem mass spectrometry (MS/MS) community spectral libraries for untargeted metabolomics over the past...
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A mass spectrum-oriented computational method for ion mobility-resolved untargeted metabolomics
Ion mobility (IM) adds a new dimension to liquid chromatography-mass spectrometry-based untargeted metabolomics which significantly enhances...
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Metabolomics-based search for lung cancer markers among patients with different smoking status
Tobacco smoking is the main etiological factor of lung cancer (LC), which can also cause metabolome disruption. This study aimed to investigate...
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Metabolomics profiling in predicting of post-herpetic neuralgia induced by varicella zoster
To explore potential metabolomics biomarkers in predicting post-herpetic neuralgia (PHN) induced by herpes zoster (HZ). A total of 90 eligible...
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The amino acid metabolomics signature of differentiating myocardial infarction from strangulation death in mice models
This study differentiates myocardial infarction (MI) and strangulation death (STR) from the perspective of amino acid metabolism. In this study, MI...
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Intestinal metabolomics in premature infants with late-onset sepsis
We aimed to investigate the characteristics of intestinal metabolomics and non-invasive biomarkers for early diagnosis of late-onset sepsis (LOS) by...
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Untargeted metabolomics reveal signatures of a healthy lifestyle
This cross-sectional study investigated differences in the plasma metabolome in two groups of adults that were of similar age but varied markedly in...
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Trackable and scalable LC-MS metabolomics data processing using asari
Significant challenges remain in the computational processing of data from liquid chomratography-mass spectrometry (LC-MS)-based metabolomic...
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Discrimination of missing data types in metabolomics data based on particle swarm optimization algorithm and XGBoost model
In the field of data analysis, it is often faced with a large number of missing values, especially in metabolomics data, this problem is more...
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Integrative analysis of metabolomics and transcriptomics to uncover biomarkers in sepsis
To utilize metabolomics in conjunction with RNA sequencing to identify biomarkers in the blood of sepsis patients and discover novel targets for...
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Metabolomics facilitates differential diagnosis in common inherited retinal degenerations by exploring their profiles of serum metabolites
The diagnosis of inherited retinal degeneration (IRD) is challenging owing to its phenotypic and genotypic complexity. Clinical information is...
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An assessment of AcquireX and Compound Discoverer software 3.3 for non-targeted metabolomics
We used the Exploris 240 mass spectrometer for non-targeted metabolomics on Saccharomyces cerevisiae strain BY4741 and tested AcquireX software for...
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Insufficient sleep and weekend recovery sleep: classification by a metabolomics-based machine learning ensemble
Although weekend recovery sleep is common, the physiological responses to weekend recovery sleep are not fully elucidated. Identifying molecular...
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Native metabolomics identifies the rivulariapeptolide family of protease inhibitors
The identity and biological activity of most metabolites still remain unknown. A bottleneck in the exploration of metabolite structures and...
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Investigation of pathogenesis of hyperuricemia based on untargeted and targeted metabolomics
Hyperuricemia (HUA) seriously harms human health but the exact etiology and pathogenesis of HUA are not fully understood. Therefore, it is still of...
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Biliary atresia and cholestasis plasma non-targeted metabolomics unravels perturbed metabolic pathways and unveils a diagnostic model for biliary atresia
The clinical diagnosis of biliary atresia (BA) poses challenges, particularly in distinguishing it from cholestasis (CS). Moreover, the prognosis for...
