Open research questions in Metabolomics and Mass Spectrometry Studies
176 unresolved questions extracted from the limitations and future-work sections of 401 Metabolomics and Mass Spectrometry Studies papers in our library. Each links back to the study that raised it.
What the literature leaves open
Most studies have assumed a uniform obesity-MDD association, failing to account for the considerable metabolic heterogeneity among obese individuals. The study highlights the need for precise risk stratification. The current models overlook the unique metabolic landscape of obesity, which fundamentally alters the biological pathways potentially leading to MDD.
Metabolites stratify future major depressive disorder risk in obese population: a longitudinal machine learning analysis · 2026 · DOIGiven the clinical heterogeneity of MDD, future research is warranted to explore whether specific metabolic signatures map onto distinct depressive phenotypes.
Metabolites stratify future major depressive disorder risk in obese population: a longitudinal machine learning analysis · 2026 · DOIThe study had a limited sample size, - The study used previously published metabolomics data of 30 HC, - The validation cohort included only 6 IS patients and 6 HC, - The study did not investigate the underlying mechanisms of the identified metabolites
Metabolic signatures and diagnostic models of ischemic stroke and its hypertensive subtype: a non-targeted metabolomics and machine learning · 2026 · DOIInvestigation of the underlying mechanisms of the identified metabolites, - Validation of the diagnostic model in a larger cohort, - Exploration of the potential of the identified metabolites as therapeutic targets
Metabolic signatures and diagnostic models of ischemic stroke and its hypertensive subtype: a non-targeted metabolomics and machine learning · 2026 · DOIovercoming current challenges will require both the enhanced resolution and sensitivity of analytical techniques, - more robust frameworks for data integration and interpretation, - addressing the functional characterization of unknown compounds
Unveiling Plant Metabolic Diversity: Integrating Metabolomics with Multi-Omics Approaches for Crop Improvement · 2026 · DOIThe need for a comprehensive understanding of plant metabolic diversity and its relationship to crop improvement. The lack of robust frameworks for data integration and interpretation. The need for enhanced resolution and sensitivity of analytical techniques.
Unveiling Plant Metabolic Diversity: Integrating Metabolomics with Multi-Omics Approaches for Crop Improvement · 2026 · DOIMinimal missingness in metabolite data, with only 42 (12%) of metabolites having more than 1% of the values missing. Need to account for technical covariates and potential confounders in the analysis. Challenge of identifying metabolites associated with persistent PTSD symptoms in a large-scale, population-based study.
Persistent PTSD symptoms are associated with plasma metabolic alterations relevant to long-term health: A metabolome-wide investigation in women · 2025 · DOIPrior studies have focused on military and clinical populations, with limited research on civilian populations. There is a need to investigate the metabolic alterations linked to PTSD in a large-scale, population-based study. The study aims to address the gap in understanding the association between PTSD and metabolic alterations.
Persistent PTSD symptoms are associated with plasma metabolic alterations relevant to long-term health: A metabolome-wide investigation in women · 2025 · DOIData heterogeneity and limited model interpretability in AI-based TCM target prediction. Causal confounding and insufficient robustness validation in practical applications. The need for continuous optimization of AI algorithms using zero-shot learning, end-to-end architectures, and self-supervised contrastive learning.
Artificial intelligence in traditional Chinese medicine: advances in multi-metabolite multi-target interaction modeling · 2025 · DOIHowever, metabolites associated with type 2 diabetes (T2D) risk and their determinants remain insufficiently characterized.
Circulating metabolites, genetics and lifestyle factors in relation to future risk of type 2 diabetes · 2026 · DOIHowever, the active metabolites, therapeutic targets, and especially the combination mechanisms remain unclear.
Artificial intelligence in traditional Chinese medicine: advances in multi-metabolite multi-target interaction modeling · 2025 · DOIPatients with ulcerative colitis (UC) have a higher risk of developing colorectal cancer (CRC), however, the metabolic shifts during the UC-to-CRC transition remain elusive.
Temporal and Spatial Metabolic Shifts Revealing the Transition from Ulcerative Colitis to Colitis‐Associated Colorectal Cancer · 2025 · DOIThe molecular mechanisms of obesity and its associated metabolic dysfunctions are not well understood. The molecular adaptation mechanisms within adipose tissue that mediate long-term metabolic improvements after bariatric surgery remain poorly understood.
Integrated proteomic and metabolomic profiling identifies distinct molecular signatures and metabolic pathways associated with obesity and potential targets for anti-obesity therapies · 2025 · DOIHowever, the underlying molecular mechanisms, particularly protein-metabolite regulatory networks, remain poorly understood.
Integrated proteomic and metabolomic profiling identifies distinct molecular signatures and metabolic pathways associated with obesity and potential targets for anti-obesity therapies · 2025 · DOIThe variation in fatty acid composition and its response to environmental factors in natural populations has not been well studied.
Population variation in fatty acid composition and response to climatic factors in Malania oleifera Chun et S.K. Lee · 2025 · DOIHowever, whether arachidonic acid (ARA) metabolism is involved in Salmonella-induced intestinal inflammation remains unclear.
Effects of Salmonella Typhimurium infection on intestinal flora and intestinal tissue arachidonic acid metabolism in Wenchang chickens · 2025 · DOIHowever, no standard currently exists for jointly integrating microbiome and metabolome datasets within statistical models.
Despite many successful applications, an appropriate control of technical variations is still lacking for result reproducibility assessment and for maximizing the MSI data quality.
Quality Control Standards for Batch Effect Evaluation and Correction in Mass Spectrometry Imaging · 2025 · DOIUntargeted metabolic profiling of plasma and serum by liquid chromatography-mass spectrometry (LC-MS) is becoming increasingly important in clinical and translational research; however, sample preparation protocols can have a significant impact on study outcomes, and there is currently a lack of standardized approaches.
Purpose Alcohol use disorder (AUD) is a chronic relapsing condition frequently complicated by cognitive impairment (CI), yet its underlying metabolic mechanisms remain poorly understood.
Integrated metabolomic-lipidomic profiling reveals novel biomarkers and therapeutic targets for alcohol use disorder with cognitive impairment · 2025 · DOIBackground Previous studies have reported the application of metabolomics in infectious diseases, but little is known about the potential function of bronchoalveolar lavage fluid (BALF) metabolites in children with (mycoplasma pneumoniae pneumonia) MPP and (refractory mycoplasma pneumoniae pneumonia) RMPP.
Lipidomics changes in bronchoalveolar lavage fluid of refractory mycoplasma pneumoniae pneumonia: LC-MS-based analysis of potential biomarkers and pathogenesis · 2025 · DOIHowever, its efficacy against hyperlipidemia and the associated mechanisms remain inadequately defined.
Integrated metabolomics and network pharmacology to investigate the anti-hyperlipidemia effect of geniposidic acid on high-fat diet induced mice · 2025 · DOIIsoquercitrin (ISO), a natural flavonoid with food-medicine homology, has shown promising antiatherosclerotic potential, yet its underlying mechanisms remain unclear.
Uncovering the Anti-Atherosclerotic Effect of Isoquercitrin via Microbiome Metabolic Modulation and Network Pharmacology · 2025 · DOIHigh Resolution Image Download MS PowerPoint Slide Rapeseed products, such as protein concentrates, hold promise for addressing global protein demands, but their application in food products is limited by their bitter and astringent taste.
Reducing the Bitterness of Rapeseed Protein: Integrating Enzymatic Treatment, Metabolomics, and Sensory Analysis to Elucidate Underlying Mechanisms · 2025 · DOIAbstract Description Background The plasma metabolome changes markedly over the first week of life, yet little is known regarding how these trajectories might differ across geographically distinct populations.
Common and divergent dynamic changes of the human plasma metabolome across the first week of life in the Gambia and Papua New Guinea 3859 · 2025 · DOI
Most-cited papers in Metabolomics and Mass Spectrometry Studies
- MetaboAnalyst 6.0: towards a unified platform for metabolomics data processing, analysis and interpretation · Nucleic Acids Research · 2024 · 1,974 citations
- Genomic atlas of the plasma metabolome prioritizes metabolites implicated in human diseases · Nature Genetics · 2023 · 950 citations
- Quantitative Serum Nuclear Magnetic Resonance Metabolomics in Large-Scale Epidemiology: A Primer on -Omic Technologies · American Journal of Epidemiology · 2017 · 666 citations
- Atlas of plasma NMR biomarkers for health and disease in 118,461 individuals from the UK Biobank · Nature Communications · 2023 · 520 citations
- ImageGP: An easy‐to‐use data visualization web server for scientific researchers · iMeta · 2022 · 404 citations
- Myocardial Metabolomics of Human Heart Failure With Preserved Ejection Fraction · Circulation · 2023 · 276 citations
- Wekemo Bioincloud: A user‐friendly platform for meta‐omics data analyses · iMeta · 2024 · 259 citations
- MetaboAnalystR 4.0: a unified LC-MS workflow for global metabolomics · Nature Communications · 2024 · 248 citations
- LC-MS-Based Metabolomics in Drug Metabolism · Drug Metabolism Reviews · 2007 · 237 citations
- The Potential of Metabolomics in Biomedical Applications · Metabolites · 2022 · 225 citations
Most recent work
- Circulating metabolites, genetics and lifestyle factors in relation to future risk of type 2 diabetes · Nature Medicine · 2026
- Unveiling Plant Metabolic Diversity: Integrating Metabolomics with Multi-Omics Approaches for Crop Improvement · Plants · 2026
- Multi-omic definition of metabolic obesity through adipose tissue–microbiome interactions · Nature Medicine · 2026
- Comprehensive Curation and Harmonization of Small-Molecule MS/MS Libraries in Spectraverse · Analytical Chemistry · 2026
- Metabolomics biomarkers for precision psychiatry · Frontiers in Psychiatry · 2026
- Assessing the metabolomics "dark matter" by a detectable khipu model · bioRxiv · 2026
- Research progress on the pharmacological effects of Poria cocos: a narrative update · Frontiers in Nutrition · 2026
- High-Quality Predicted Pathway Annotations Greatly Improve Pathway Enrichment Analysis of Metabolomics Datasets · bioRxiv · 2026
- Analytical challenges and opportunities in the extraction, separation, and identification of food phospholipids · Frontiers in Nutrition · 2026
- Structure-informed deep generation enables de novo metabolite annotation in untargeted metabolomics · Nature Communications · 2026
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