LuYuxing/MetaBench huggingface dataset:
Question: Write a study description for the study titled 'Global 13C tracing and metabolic flux analysis of intact human liver tissue ex vivo'.
Answer: Liver metabolism is central to human physiology and influences the pathogenesis of common metabolic diseases. Yet, our understanding of human liver metabolism remains incomplete, with much of current knowledge based on animal or cell culture models that do not fully recapitulate human physiology. Here, we performed in-depth measurement of metabolism in intact human liver tissue ex vivo using global 13C tracing, non-targeted mass spectrometry and model-based metabolic flux analysis. Cultured liver tissue exhibited normal anatomical structure and retained canonical liver functions such as glucose production, albumin and VLDL synthesis at near-physiological rates. Isotope tracing with a highly 13C-labeled medium generated 13C enrichment in hundreds of compounds, allowing qualitative assessment of a wide range of metabolic pathways within a single experiment. This confirmed well-known features of liver metabolism, but also revealed unexpected metabolic activities such as de novo creatine synthesis and branched-chain amino acid transamination, where human liver appears to differ from rodent models. Metabolic flux analysis identified glycogenolysis as the main source of glucose production, which could be suppressed by pharmacological inhibition of glycogen phosphorylase. Glucose production ex vivo also correlated with donor plasma glucose, suggesting that cultured liver tissue retains individual metabolic phenotypes. Moreover, liver tissue responded to postprandial levels of nutrients and insulin by suppressing glucose production and increasing nutrient uptake. Isotope tracing ex vivo allows measuring human liver metabolism with great depth and resolution in an experimentally tractable system.
Question: Write a study description for the study titled 'Discovery of urinary biomarkers to discriminate between exogenous and semi-endogenous thiouracil in cattle (Calf samples)'.
Answer: In the European Union, the use of thyreostats for animal fattening purposes has been banned because of their carcinogenic and teratogenic effects, whereby any residues in derived food products may hold a risk for human health. In this regard, potential abuse is monitored by targeted analysis of thyreostats with the application of a zero-tolerance policy. However, such a strategy is no longer adequate because of the semi-endogenous origin of some thyreostats, including thiouracil (TU). Additionally, the use of recommended TU concentration levels (10 or 30 µg/l) is also not fully conclusive. Therefore, this study aimed at defining urinary metabolite markers by which the true origin of detected TU could be ascertained. To this end, an in vivo study was carried out in which 11 calves were subjected to either a control treatment, a rapeseed-enriched diet (known to induce semi-endogenous formation) or a TU treatment. Urine samples (n = 165) were assessed through metabolic fingerprinting, employing ultra-high performance liquid-chromatography and Q-Exactive Orbitrap mass spectrometry. Urinary fingerprints were interpreted by multivariate data-analysis.  The targeted Cow samples assay for this study can be found in the MetaboLights study MTBLS561. Linked Studies: MTBLS561
Question: Write a study description for the study titled 'Longitudinal multi-omics reveals subset-specific mechanisms underlying irritable bowel syndrome'.
Answer: The gut microbiome has been implicated in multiple human chronic gastrointestinal (GI) disorders. Determining its mechanistic role in disease has been difficult due to apparent disconnects between animal and human studies and lack of an integrated multi-omics view of disease-specific physiological changes. We integrated longitudinal multi-omics data from the gut microbiome, metabolome, host epigenome, and transcriptome in the context of irritable bowel syndrome (IBS) host physiology. We identified IBS subtype-specific and symptom-related variation in microbial composition and function. A subset of identified changes in microbial metabolites correspond to host physiological mechanisms that are relevant to IBS. By integrating multiple data layers, we identified purine metabolism as a novel host-microbial metabolic pathway in IBS with translational potential. Our study highlights the importance of longitudinal sampling and integrating complementary multi-omics data to identify functional mechanisms that can serve as therapeutic targets in a comprehensive treatment strategy for chronic GI diseases.Linked cross omic data sets:Microbiome sequencing data associated with this study are available in the European Nucleotide Archive (ENA): accession number PRJEB37924 and PRJNA612180.
Question: Write a study description for the study titled 'A metabolomics approach to unravel the regulating role of phytohormones towards carotenoid metabolism in tomato fruit. (Lutein Metabolism)'.
Answer: Carotenoids are important secondary metabolites, which have been recognized as an essential component of the human diet because of their valuable beneficial health effects. With this rationale, there is a continuous aim to define the distribution of these compounds in plants, to better understand their metabolism and to increase their concentration levels in fruits and vegetables. This study aimed at deepening the knowledge on the regulatory role of phytohormones in carotenoid metabolism. More specifically, it was envisaged to reveal the phytohormones involved in the metabolism of alpha-carotene, beta-carotene, lycopene, lutein and zeaxanthin. To this purpose, the phytohormone profiles of 50 tomato fruits were determined by high-resolution Orbitrap mass spectrometry and evaluated towards the associated carotenoid levels. Data mining was performed by differential expression and orthogonal partial least squares analyses. This metabolomics approach revealed 5 phytohormonal metabolites, which significantly influenced (Variable Importance in Projection scores =0.80) carotenoid metabolism. These metabolites were identified as cis-12-oxo-phytodienoic acid, cucurbic acid, 2-oxindole-3-acetic acid, 1-acetylindole-3-carboxaldehyde, and cis-zeatin-O-glucoside. The involvement of the individual phytohormones towards carotenoid metabolism was investigated by regression analysis (P values =0.05, R2 varying between 0.280 and 0.760) and statistical correlation (P values =0.01, correlation varying between 0.403 and 0.846). It was concluded that these phytohormones all have significant contributing value in the regulation of carotenoid metabolism, thereby exhibiting down- and up-regulating influences. As a result, this knowledge encloses the potential for improving tomato fruit nutritional quality by targeted control of agronomic conditions, exogenous use of plant bioregulators, or genetic engineering.
Question: Write a study description for the study titled 'Transcriptomic and metabolomic data of goat ovarian and uterine tissues during sexual maturation (Uterine data)'.
Answer: The ovaries and uterus are crucial reproductive organs in mammals, and their coordinated development ensures the normal development of sexual maturity and reproductive capacity. This study aimed to comprehensively capture the different physiological stages of the goat's sexual maturation by selecting four specific time points. We collected samples of ovarian and uterine tissues from five female Jining Gray goats at each time point: after birth (D1), 2-month-old (M2), 4-month-old (M4) and 6-month-old (M6). By combining transcriptomic sequencing of 40 samples (including rRNA-depleted RNA-seq libraries with 3607.8 million reads and miRNA-seq libraries with 444.0 million reads) and metabolomics analysis, we investigated the transcriptomic mechanisms involved in reproductive regulation in the ovary and uterus during sexual maturation, as well as the changes in metabolites and their functional potential. Additionally, we analyzed blood hormone indices and uterine tissue sections to examine temporal changes. These datasets will provide a valuable reference for the reproductive regulation of the ovary and uterus, as well as the regulation of metabolites during sexual maturation in goats.Uterine data is reported in the current study MTBLS9795.Ovarian data is reported in MTBLS9794.
Question: Write a study description for the study titled 'Supplementation of Bacillus sp. DU-106 reduces hypercholesterolemia and ameliorates gut dysbiosis in high-fat diet rats'.
Answer: Gut microbiota modulation by a probiotic is a novel therapy for hypercholesterolemia mitigation. This study initially investigated the potential hypocholesterolemic effect of Bacillus sp. DU-106 in hypercholesterolemic rats and explored its potential relation with gut microbiota. Sprague-Dawley rats received a high-fat diet, or a high-fat diet supplemented with 7.5 × 109 and 1.5 × 1010 CFU/kg bw/day Bacillus sp. DU-106 (low-dose and high-dose groups). At the end of 9 weeks, Bacillus sp. DU-106 treatment significantly decreased the body weight, liver index, and total cholesterol. 16S rRNA sequencing showed that Bacillus sp. DU-106 intervention significantly increased bacterial richness and particularly increased the genus abundance of Turicibacter, Acinetobacter, Brevundimonas, and Bacillus and significantly decreased the abundance of Ralstonia. Metabolomic data further indicated that the supplementation of Bacillus sp. DU-106 remarkably changed the gut metabolic profiles of hypercholesterolemic rats and, in particular, elevated the metabolites of indole-3-acetate, methylsuccinic acid, creatine, glutamic acid, threonine, lysine, ascorbic acid, and pyridoxamine. Spearman's correlation analysis showed the close relation between the different genera and metabolites. In conclusion, Bacillus sp. DU-106 supplement ameliorated high-fat diet-induced hypercholesterolemia and showed potential probiotic benefits for the intestine.KEY POINTS: • A novel potential probiotic Bacillus sp. DU-106 ameliorated hypercholesterolemia in rats. • Bacillus sp. DU-106 supplement regulated gut microbiome structure and richness. • Bacillus sp. DU-106 supplement changed metabolic profiles in high-fat diet rats. • Significant correlations were observed between differential genera and metabolites.
Question: Write a study description for the study titled 'Metabolic dysregulation in vitamin E and carnitine shuttle energy mechanisms associate with human frailty'.
Answer: Global ageing poses a substantial economic burden on health and social care costs. Enabling a greater proportion of older people to stay healthy for longer is key to the future sustainability of health, social and economic policy. Frailty and associated decrease in resilience plays a central role in poor health in later life. In this study, we present a population level assessment of the metabolic phenotype associated with frailty. Analysis of serum from 1191 older individuals (aged between 56 and 84 years old) and subsequent longitudinal validation (on 786 subjects) was carried out using liquid and gas chromatography-mass spectrometry metabolomics and stratified across a frailty index designed to quantitatively summarize vulnerability. Through multivariate regression and network modelling and mROC modeling we identified 12 significant metabolites (including three tocotrienols and six carnitines) that differentiate frail and non-frail phenotypes. Our study provides evidence that the dysregulation of carnitine shuttle and vitamin E pathways play a role in the risk of frailty.
Question: Write a study description for the study titled 'MetaDB a Data Processing Workflow in Untargeted MS-Based Metabolomics Experiments'.
Answer: This dataset reports the UPLC-QTof MS untargeted analysis of Vitis vinifera L. leaves, collected from Italy (Trentino) and Germany (Mecklenburg West-Pomerania), from two fungus-resistant grape varieties (PIWI), Regent and Phoenix. For each variety, 40 leaves were sampled from 10 plants (4 leaves/plant) in Italy, and other 40 with the same process in Germany. The leaves from each plant were homogenized and extracted separately, in the same day, under a randomized order. A quality control (QC) sample was prepared by pooling a small aliquot from each sample.  The aim of the project, was to use this sample/data set as an illustrative example for the use the pipeline MetaDB (https://github.com/rmylonas/MetaDB). MetaDB has been developed in order to combine, with a user-friendly web based, different bioinformatic tools used in metabolomics, which takes care a) metadata organization, b) creation of randomized sequences including QC sample, c) data quality evaluation, d) data storage organization, e) data analysis and f) submission to public repositories.
Question: Write a study description for the study titled 'Nonspecific activities of the major herbicide-resistance gene BAR'.
Answer: Bialaphos resistance (BAR) and phosphinothricin acetyltransferase (PAT) genes, which convey resistance to the broad-spectrum herbicide phosphinothricin (also known as glufosinate) via N-acetylation, have been globally used in basic plant research and genetically engineered crops. Although early in vitro enzyme assays showed that recombinant BAR and PAT exhibit substrate preference toward phosphinothricin over the 20 proteinogenic amino acids, indirect effects of BAR-containing transgenes in planta, including modified amino acid levels, have been seen but without the identification of their direct causes. Combining metabolomics, plant genetics, and biochemical approaches, we show that transgenic BAR indeed converts two plant endogenous amino acids, aminoadipate and tryptophan, to their respective N-acetylated products in several plant species examined. We report the crystal structures of BAR, and further delineate structural basis for its substrate selectivity and catalytic mechanism. Through structure-guided protein engineering, we generated several BAR variants that display significantly reduced nonspecific activities compared to its wild-type counterpart in vivo. Our results demonstrate that transgenic expression of enzymes can result in unintended off-target metabolism arising from enzyme promiscuity. Understanding of such phenomena at the mechanistic level can facilitate the design of maximally insulated systems featuring heterologously expressed enzymes.
Question: Write a study description for the study titled 'Characterization of Cabernet Sauvignon Wines by Untargeted HS-SPME GC-QTOF-MS'.
Answer: Untargeted metabolomics approaches are emerging as powerful tools for the quality evaluation and authenticity of food and beverages and have been applied to wine science. However, most fail to report the method validation, quality assurance and/or quality control applied, as well as the assessment through the metabolomics-methodology pipeline. Knowledge of Mexican viticulture, enology and wine science remains scarce, thus untargeted metabolomics approaches arise as a suitable tool. The aim of this study is to validate an untargeted HS-SPME-GC-qTOF/MS method, with attention to data processing to characterize Cabernet Sauvignon wines from two vineyards and two vintages. Validation parameters for targeted methods are applied in conjunction with the development of a recursive analysis of data. The combination of some parameters for targeted studies (repeatability and reproducibility < 20% RSD; linearity > 0.99; retention-time reproducibility < 0.5% RSD; match-identification factor < 2.0% RSD) with recursive analysis of data (101 entities detected) warrants that both chromatographic and spectrometry-processing data were under control and provided high-quality results, which in turn differentiate wine samples according to site and vintage. It also shows potential biomarkers that can be identified. This is a step forward in the pursuit of Mexican wine characterization that could be used as an authentication tool.
Question: Write a study description for the study titled 'NR-SAFE: a randomized, double-blind safety trial of high dose nicotinamide riboside in Parkinson's disease'.
Answer: Nicotinamide adenine dinucleotide (NAD) replenishment therapy using nicotinamide riboside (NR) shows promise for Parkinson’s disease (PD) and other neurodegenerative disorders. However, the optimal dose of NR remains unknown, and doses exceeding 2000 mg daily have not been tested in humans. To evaluate the safety of high-dose NR therapy, we conducted a single-center, randomized, placebo-controlled, double-blind, phase I trial on 20 individuals with PD, randomized 1:1 on NR 1500 mg twice daily (n=10) or placebo (n=10) for 4 wk. The trial was conducted at the Department of Neurology, Haukeland University Hospital, Bergen, Norway. The primary outcome was safety, defined as the frequency of moderate and severe adverse events. Secondary outcomes were tolerability defined as frequency of mild adverse events, change in the whole blood and urine NAD metabolome, and change in the clinical severity of PD, measured by MDS-UPDRS. All 20 participants completed the trial. The trial met all prespecified outcomes. NR therapy was well tolerated with no moderate or severe adverse events, and no significant difference in mild adverse events. NR therapy was associated with clinical improvement of total MDS-UPDRS scores. However, this change was also associated with a shorter interval since the last levodopa dose. NR greatly augmented the blood NAD metabolome with up to 5-fold increase in blood NAD+ levels. While NR-recipients exhibited a slight initial rise in serum homocysteine levels, the integrity of the methyl donor pool remained intact. Our results support extending the dose range of NR in phase II clinical trials to 3000 mg per day, with appropriate safety monitoring. Clinicaltrials.gov identifier: NCT05344404.
Question: Write a study description for the study titled 'Holo omic investigation of host and microbe in broiler chicken (HoloFood Trial 1/2/3)'.
Answer: Chicken farming is critical for future food security, yet there is still a need for improving animal welfare and optimised feeding strategies. HoloFood will explore the interaction and impact of the microbiome together with the host (animal) in response to different feeding strategies already implemented commercially. Chicken farming has recently made huge efforts towards healthy, natural food production without using chemicals or antibiotics in food systems. As such natural alternatives, such as prebiotic and probiotic additives to chicken feed, have been a huge improvement. Nonetheless, the full impact of these natural alternatives and the variation in chicken growth is still poorly understood. HoloFood aims to investigate the effect and interplay between the host (chicken) - microbiome in response to different dietary additives.HoloFood Trial 1/2/3 is reported in the current study MTBLS6988.HoloFood Trial A - seaweed-dose response is reported in MTBLS4381.HoloFood Trial B - blue mussel-dose response is reported in MTBLS4382.HoloFood Trial C - blue mussel ensilage-dose response is reported in MTBLS4384.HoloFood Trial D - fermented seaweed open water-dose response is reported in MTBLS6733.Linked cross omic data sets:Nucleic acid data associated with this study are available in the European Nucleotide Archive (ENA): accession number PRJEB43192.Metagenomic data associated with this study are available from MGnify under the Super Study 'holofood'.
Question: Write a study description for the study titled 'Selective galactose culture condition reveals distinct metabolic signatures in pyruvate dehydrogenase and complex I deficient human skin fibroblasts'.
Answer: INTRODUCTION: A decline in mitochondrial function represents a key factor of a large number of inborn errors of metabolism, which lead to an extremely heterogeneous group of disorders.OBJECTIVES: To gain insight into the biochemical consequences of mitochondrial dysfunction, we performed a metabolic profiling study in human skin fibroblasts using galactose stress medium, which forces cells to rely on mitochondrial metabolism.METHODS: Fibroblasts from controls, complex I and pyruvate dehydrogenase (PDH) deficient patients were grown under glucose or galactose culture condition. We investigated extracellular flux using Seahorse XF24 cell analyzer and assessed metabolome fingerprints using NMR spectroscopy.RESULTS: Incubation of fibroblasts in galactose leads to an increase in oxygen consumption and decrease in extracellular acidification rate, confirming adaptation to a more aerobic metabolism. NMR allowed rapid profiling of 41 intracellular metabolites and revealed clear separation of mitochondrial defects from controls under galactose using partial least squares discriminant analysis. We found changes in classical markers of mitochondrial metabolic dysfunction, as well as unexpected markers of amino acid and choline metabolism. PDH deficient cell lines showed distinct upregulation of glutaminolytic metabolism and accumulation of branched-chain amino acids, while complex I deficient cell lines were characterized by increased levels in choline metabolites under galactose.CONCLUSION: Our results show the relevance of selective culture methods in discriminating normal from metabolic deficient cells. The study indicates that untargeted fingerprinting NMR profiles provide physiological insight on metabolic adaptations and can be used to distinguish cellular metabolic adaptations in PDH and complex I deficient fibroblasts.
Question: Write a study description for the study titled 'Selection strengthens the relationship between plant diversity and the metabolic profiles of Plantago lanceolata'.
Answer: • Plant species diversity enhances community productivity, but how plant diversity impacts the metabolome of individual plants and the underlying eco-evolutionary processes remains unclear. This study investigated how plant species diversity and selection for growing in different diversity environments affects the leaf metabolome of Plantago lanceolata.• We compared the metabolites of plants derived from those that had been selected in the “Jena Experiment” for 17 years in plant communities with differing plant diversity with the metabolites of naïve plants not subjected to this selection. The metabolic profiles of selected P. lanceolata plants were also compared after growing in experimental environments varying in plant diversity, soil history and community plant history.• Volatile compound diversity in P. lanceolata decreased with plant species richness, primarily due to phenotypic plasticity rather than selection. Soil history further strengthened this relationship. Conversely, non-volatile compound diversity increased with plant species richness, but only in phytometers subjected to diversity-driven selection. These effects were more pronounced when plants shared soil-plant history with their community.• In summary, our study revealed that both plastic and adaptative responses shape the metabolome of P. lanceolata in relation to plant diversity with these effects becoming stronger as plant and soil communities mature.