LuYuxing/MetaBench huggingface dataset:
Question: Write a study description for the study titled 'Metabolic profiling reveals anomalous energy metabolism and oxidative stress pathways in chronic fatigue syndrome patients'.
Answer: Myalgic encephalomyelitis/chronic fatigue syndrome (ME/CFS) is a debilitating long-term multisystem disorder with a central and inexplicably persistent fatigue symptom that is unable to be relieved by rest. Energy metabolism and oxidative stress have been recent focal points of ME/CFS research and in this study we were able to elucidate metabolic pathways that were indicative of their dysfunction. Blood and urine samples were collected from 34 females with ME/CFS (34.9 ± 1.8 SE years old) and 25 non-ME/CFS female participants (33.0 ± 1.6 SE years old). All samples underwent metabolic profiling via 1D 1H Nuclear magnetic resonance spectroscopy and quantitated metabolites were assessed for significance. Blood glucose was elevated while blood lactate, urine pyruvate, and urine alanine were reduced indicating an inhibition of glycolysis that may potentially reduce the provision of adequate acetyl-CoA for the citric acid cycle. We propose that amino acids are being increasingly used to provide an adequate carbohydrate source for the citric acid cycle. We suggest that this is via glutamate forming 2-oxoglutarate through an enzyme that deaminates it and subsequently elevates blood aspartate. Dysfunctional energy metabolism appears to have impacted creatinine and its elevation in urine suggests that it may be used as an alternative for anaerobic ATP production within muscle. A decrease in blood hypoxanthine and an increase in urine allantoin further suggest the elevation of reactive oxygen species in ME/CFS patients. These findings bring new information to the research of energy metabolism, chronic immune activation and oxidative stress issues within ME/CFS.
Question: Write a study description for the study titled 'Metabolite profile data of grapevine plants with brown wood streaking and grapevine leaf stripe (esca complex disease) symptoms'.
Answer: Leaf samples were obtained from Vitis vinifera ‘Malvasia Fina’ plants with well-characterized esca complex disease symptoms (n = 18) and from healthy uninfected plants (n = 6). Leaves from diseased plants were divided into three groups: asymptomatic (ASY), chlorotic (SY1), and scorched leaves (SY2). The metabolic profile of these leaves was then examined using an ultrahigh performance liquid chromatography system coupled to a Q-Exactive Hybrid Quadrupole-Orbitrap high resolution/accurate mass spectrometer interfaced with a heated electrospray ionization source. The number of small molecules measured in a sample was increased by varying the reconstitution solvent, chromatographic column, and ionization source. Data on accurate masses, peak areas, and relative levels of several metabolites were documented for each leaf sample, using the abovementioned approach. In this paper, data on 235 metabolites of known structural identity are reported, along with the biochemical pathways to which the metabolites belong. The remaining data related to lipid species and with a different focus of the research question are reported elsewhere. The broad coverage of metabolites reported here resulted in a greater coverage of the biochemical pathways involved in grapevine metabolism, which could provide a better understanding of the biochemical changes occurring during the onset and progression of foliar symptoms after invasion of woods by esca-associated pathogens. To determine which metabolites varied according to the study design, the detected ion features were processed using different statistical methods, including mean and median values, fold changes, Welch's two-sample t-test, false discovery rate, and quartiles represented by box and whisker plots. The goal of this statistical evaluation was to assess the responses of healthy, asymptomatic, and symptomatic leaf groups using a pairwise comparison, thus providing an opportunity for detecting statistically significant compounds and uncovering the dynamic metabolic models underlying disease latency and symptom expression.
Question: Write a study description for the study titled 'Metabolic Footprinting of a Clear Cell Renal Cell Carcinoma in vitro Model for Human Kidney Cancer Detection'.
Answer: A protocol for harvesting and extracting extracellular metabolites from an in vitro model of human renal cell lines was developed to profile the exometabolome by means of a discovery-based metabolomics approach using ultraperformance liquid chromatography coupled to quadrupole-time-of-flight mass spectrometry. Metabolic footprints provided by conditioned media (CM) samples (n=66) of two clear cell Renal Cell Carcinoma (ccRCC) cell lines with different genetic background and a non-tumor renal cell line, were compared with the human serum metabolic profile of a pilot cohort (n=10) comprised of stage IV ccRCC patients and healthy individuals. Using a cross-validated orthogonal projection to latent structures-discriminant analysis model, a panel of 21 discriminant features selected by iterative multivariate classification, allowed differentiating control from tumor cell lines with 100% specificity, sensitivity and accuracy. Isoleucine/leucine, phenylalanine, N-lactoyl-leucine, and N-acetyl-phenylalanine, and cysteinegluthatione disulfide (CYSSG) were identified by chemical standards, and hydroxyprolyl-valine was identified with MS and MS/MS experiments. A subset of 9 discriminant features, including the identified metabolites except for CYSSG, produced a fingerprint of classification value that enabled discerning ccRCC patients from healthy individuals. To our knowledge, this is the first time that N-lactoyl-leucine is associated to ccRCC. Results from this study provide a proof of concept that CM can be used as a serum proxy to obtain disease-related metabolic signatures.
Question: Write a study description for the study titled 'The trans-omics landscape of COVID-19'.
Answer: The outbreak of coronavirus disease 2019 (COVID-19) is a global health emergency. Various omics results have been reported for COVID-19, but the molecular hallmarks of COVID-19, especially in those patients without comorbidities, have not been fully investigated. Here we collect blood samples from 231 COVID-19 patients, prefiltered to exclude those with selected comorbidities, yet with symptoms ranging from asymptomatic to critically ill. Using integrative analysis of genomic, transcriptomic, proteomic, metabolomic and lipidomic profiles, we report a trans-omics landscape for COVID-19. Our analyses find neutrophils heterogeneity between asymptomatic and critically ill patients. Meanwhile, neutrophils over-activation, arginine depletion and tryptophan metabolites accumulation correlate with T cell dysfunction in critical patients. Our multi-omics data and characterization of peripheral blood from COVID-19 patients may thus help provide clues regarding pathophysiology of and potential therapeutic strategies for COVID-19.
Question: Write a study description for the study titled 'Integrated Proteomics and Metabolomics Analyses Revealed Potential Phospholipid-Related Biomarkers in Rabbit Atherosclerotic Plaques'.
Answer: BACKGROUND AND AIMS: Atherosclerosis, characterized by dysfunction of lipid metabolism and chronic inflammation, is considered as a metabolic disorder as well as a major contributor to cardiovascular diseases. However, metabolic signatures of atherosclerosis have not been well explored. Thus, this study aim to reveal some promising biomarkers associated with phospholipid-related metabolites in rabbit atherosclerotic plaques by conducting integrated proteomic and metabolic analyses.METHODS: New Zealand white rabbits were randomly divided into the model group injured by the balloon and the sham group with incisions. Abdominal aortas were collected from the two groups, and were prepared using a new approach, which applies proteinase K during the sample preparation procedure to increase the metabolite coverage. Then, a Tandem Mass Tags (TMT)-labeled quantitative proteomic analysis and an untargeted metabolomics analysis via liquid chromatography-mass spectrometry (LC-MS) of abdominal aortas were applied to evaluate the possible fingerprints of arterial plaques on the protein and metabolite levels. Then, the correlation between differentially expressed proteins and differentially expressed metabolites was analysed based on the Pearson correlation coefficient strategy. Acquired data were subsequently analyzed with the use of both uni‐ and multi-variate statistics.RESULTS: Advanced atherosclerotic plaques developed in the model group. A total of 207 proteins were found to be significantly altered in the injured aorta compared to the uninjured aorta, with 133 upregulated proteins and 74 downregulated proteins (fold changes > 1.2, P < 0.05). 234 metabolites were discovered to be significantly altered in plaques under the positive ion mode and 187 metabolites under the negative ion mode. These metabolites were mainly related to the phospholipid metabolic pathways. In this study, decreases were found in the phosphatidylcholines (PCs) [PC(32:0), PC(40:7), PC(42:7)], phosphatidylethanolamine PE(18:0/18:2), lysophosphatidylethanolamines (LPEs) [LPE(22:6), LPE(18:2), LPE(18:0), LPE(20:4), LPE(20:1), LPE(20:0)], lysophosphatidylcholine LPC(20:4) and lysophosphatidylserine LPS(19:0), as well as increase of sphingomyelin SM(36:2), in the plasma samples of pulmonary arterial hypertensive patients in comparison to the control group. Besides, their function as components of the biological membranes, these metabolites are also involved in the intracellular signaling pathways that are related to cell proliferation and apoptosis.CONCLUSIONS: The results obtained during this study confirm the potential of untargeted metabolomics to identify the molecular characteristics of the pathophysiology of atherosclerosis. The clinical relevance of this study constitutes the selection of a metabolic panel that can potentially detect and properly diagnose the disease.
Question: Write a study description for the study titled 'Soil microbial adaptation to carbon deprivation: Shifts in lignocellulolytic gene profiles following long-term plant exclusion'.
Answer: Background:Lignocellulose represents a primary input of organic carbon (C) into soils, yet the identity of specific microorganisms and genes which drive lignocellulose turnover in soils remain poorly understood. To address this knowledge gap, we used a 10-year grassland plant-exclusion experiment to investigate how reduced plant C inputs affects microbial communities and their lignocellulolytic potential using a combination of metagenomic sequencing and untargeted metabolomics. We specifically tested the hypothesis that microbial community function in bare fallow plots would transition towards microbiota with genes for recalcitrant biomass degradation (i.e., lignocellulose), when compared to grassland plots with high labile C inputs.  Results:Long term plant exclusion lowered soil C and N and reduced cellulose content, whilst hemicellulose and lignin were unchanged. Similarly soil microbiomes were highly distinct in long-term bare soils, along with soil extracellular enzyme profiles, though short term plant-removal effects were less apparent. Plant exclusion resulted in a general enrichment of Firmicutes, Thaumarchaeota, Acidobacteria, Fusobacteria, and Ascomycota, with a general reduction in Actinobacteria. However, changes in bare soil lignocellulose degradation genes were more associated with discrete taxa from diverse lineages, particularly the Proteobacteria. Grouping of lignocellulose-degrading genes into broad substrate classes (cellulases, hemicellulases and lignases) revealed a possible increase in lignin degradation genes under plant exclusion confirming our hypothesis, although all other changes were at the level of the CAZy family. Intriguingly, untargeted metabolome profiles were highly responsive to plant exclusion, even after only one year. Bare soils were depleted in oligosaccharides and enriched in monosaccharides, fatty and carboxylic acids, supporting emerging evidence of long-term persistent C being within simple compounds. Conclusions:Together our data show that extracellular lignin degrading enzymes increase under long term plant exclusion. There is now a need for increased focus on the microbial metabolic mechanisms which regulate the processing and persistence of enzymatically released compounds, particularly in energy limited soils.
Question: Write a study description for the study titled 'Lipid Data Analyzer: Discrimination of structurally isomeric pairs of lipid standards (Control experiment 3)'.
Answer: Lipid Data Analyzer (LDA; http://genome.tugraz.at/lda2) provides automated and reliable annotation of lipid species and their molecular structures in high-throughput data from chromatography-coupled tandem mass spectrometry using embedded rule sets. Using various low- and high-resolution mass spectrometry instruments with several collision energies, the method's platform independence is proved. The software's reliability, flexibility, and ability to identify novel lipid molecular species may now render current state-of-the-art lipid libraries obsolete.  In lipidomics LC-MS/MS experiments, structural isomers within one MS1 peak frequently occur. In this experiment, structural isomeric pairs from PC, PE, PG, PS and TG are mixed in one sample at various concentrations. The algorithm appropriately assigning the respective structural isomers is demonstrated.  Control experiment 1 assays for this study can be found in the MetaboLights study MTBLS394. Control experiment 2 assays for this study can be found in the MetaboLights study MTBLS391. Murine liver lipidome experiment assays for this study can be found in the MetaboLights study MTBLS396. LipidBlast benchmarking assays for this study can be found in the MetaboLights study MTBLS397. HCD characterization and regioisomer detection assays for this study can be found in the MetaboLights study MTBLS462. Linked Studies: MTBLS391 MTBLS394 MTBLS396 MTBLS397 MTBLS462
Question: Write a study description for the study titled 'PFKFB3-mediated glycolysis boosts fibroblast activation and subsequent kidney fibrosis'.
Answer: Renal fibrosis, a hallmark of chronic kidney diseases, is driven by the activation of renal fibroblasts. Recent studies have highlighted the role of glycolysis in this process. Nevertheless, one critical glycolytic activator, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3), remains unexplored in renal fibrosis. Upon reanalyzing the single-cell sequencing data from Dr. Humphreys' lab, we noticed an upregulation of glycolysis, gluconeogenesis, and TGFβ signaling pathway in myofibroblasts from fibrotic kidneys after unilateral ureter obstruction (UUO) or kidney ischemia/reperfusion. Furthermore, our experiments showed significant induction of PFKFB3 in mouse kidneys following UUO or kidney ischemia/reperfusion. To delve deeper into the role of PFKFB3, we generated mice with Pfkfb3 deficiency specifically in myofibroblasts (Pfkfb3f/fPostnMCM). Following UUO or kidney ischemia/reperfusion, a substantial decrease of fibrosis in injured kidneys of Pfkfb3f/fPostnMCM mice was identified compared to their wild-type littermates. Additionally, in cultured renal fibroblast NRK-49F cells, PFKFB3 was elevated upon exposure to TGFβ1, accompanied by the increase of α-SMA and fibronectin. Notably, this upregulation was significantly diminished with PFKFB3 knockdown, correlated with a glycolysis suppression. Mechanistically, the glycolytic metabolite lactate promoted the fibrotic activation of NRK-49F. In conclusion, our study demonstrates the critical role of PFKFB3 in driving fibroblast activation and subsequent renal fibrosis.
Question: Write a study description for the study titled 'Metabolic consequences of cobalamin scarcity in diatoms as revealed through metabolomics (Navicula pelliculosa study)'.
Answer: Diatoms perform about 20% of photosynthesis on earth, play a crucial role in forming the base of the marine food web, and sequester anthropogenic carbon into the deep ocean through the biological pump. In some areas of the ocean, diatom growth is limited by the organic micronutrient cobalamin (vitamin B12). Cobalamin affects phytoplankton growth rate and biomass yield, though the consequences of cobalamin limitation are not well understood on the biochemical level. In a controlled laboratory setting, we grew two diatoms, Thalassiosira pseudonana and Navicula pelliculosa, under cobalamin limited and replete conditions to elucidate changes in metabolite pools under cobalamin limitation. Using targeted and untargeted metabolomics, we show that the cobalamin-dependent T. pseudonana experienced a metabolic cascade under cobalamin limitation that a ects the central methionine cycle, the transsulfuration pathway, and the composition of its osmolyte pools. N. pelliculosa, a cobalamin-independent diatom, also showed evidence for changes in the methionine cycle when grown without cobalamin, though to a lesser extent than what we observed in T. pseudonana. In both diatoms the concentration of 5'-methylthioadenosine decreased when limited for cobalamin, suggesting a disruption in the diatoms' polyamine biosynthesis. Furthermore, two acylcarnitines and adenosyl cobalamin accumulated in T. pseudonana under cobalamin limitation, suggesting the use of an adenosylcobalamin-dependent enzyme, methylmalonyl CoA mutase. Overall, these changes in metabolite pools yield insight into the metabolic consequences of cobalamin limitation in diatoms and suggest that cobalamin starvation may have consequences for microbial interactions that are based on metabolite production by phytoplankton.  Navicula pelliculosa protocols and data are reported in the current study MTBLS708.  Thalassiosira pseudonana protocols and data are reported in MTBLS703.
Question: Write a study description for the study titled 'Integrated multi-omics analysis and experimental verification reveal the involvement of the PI3K/Akt signaling pathway in myometrial fibrosis of adenomyosis.'.
Answer: This analysis established comprehensive metabolomic profiles of adenomyosis patients and revealed widespread alterations in the metabolome within normal and fibrotic myometrium. Integrated analysis shown significant associations between metabolomic data and fibrosis . This study is the first to demonstrate that myometrial fibrosis represents a critical pathological mechanism in adenomyosis. These findings provide valuable insights into the pathophysiology of zdenomyosis and suggest antifibrotic treatment as a promising therapeutic strategy.
Question: Write a study description for the study titled 'Flavonoid Biosynthesis Is Likely More Susceptible to Elevation and Tree Age Than Other Branch Pathways Involved in Phenylpropanoid Biosynthesis in Ginkgo Leaves'.
Answer: Ginkgo leaves are always resources for flavonoids pharmaceutical industry. However, the effect of the elevation and tree age changes on flavonoid biosynthesis have not been detailly explored in Ginkgo leaves. In addition, whether these environmental pressures have similar effects on the biosynthesis of other non-flavonoids polyphenolics in phenylpropanoid biosynthesis is not known at present. In this research, de novo transcriptome sequencing of Ginkgo leaves was performed coupled with ultra-performance liquid chromatography/quadrupole time-of-flight mass spectrometry analyses to obtain a comprehensive understanding of the influence of elevation and tree age on phenylpropanoid biosynthesis. A total of 557,659,530 clean reads were assembled into 188,155 unigenes, of which 135,102 (71.80%) were successfully annotated in seven public databases. The putative DFRs, LARs, and ANRs were significantly up-regulated with the increase of elevation in young Ginkgo tree leaves. The relative concentration of flavonoid derivatives with high parent ion intensity was likely to imply that the elevation increase promoted the biosynthesis of flavonoids. Complex gene variations involved in flavonoid biosynthesis were observed with the tree age increase. However, flavonoid derivatives analysis predicted that the rise of tree age was more likely to be detrimental to the flavonoids manufacture. Otherwise, multiple genes implicated in the synthesis of hydroxycinnamates, lignin, and lignan exhibited fluctuations with the elevation increase. Significantly up-regulated CADs and down-regulated PRDs potentially led to the accumulation of p-Coumaryl alcohol, one of the lignin monomers, and might inhibit further lignification. Overall, the putative DFRs seemed to show more considerable variability toward these stress, and appeared to be the main regulatory point in the flavonoid biosynthesis. Light enhancement caused by elevation increase may be the main reason for flavonoids accumulation. Flavonoid biosynthesis exhibited a greater degree of perturbation than that of hydroxycinnamates, lignins and lignans, potentially suggesting that flavonoid biosynthesis might be more susceptible than other branch pathways involved in phenylpropanoid biosynthesis. This research effectively expanded the functional genomic library and provide new insights into phenylpropanoid biosynthesis in Ginkgo.
Question: Write a study description for the study titled 'Uncovering the Complexity of the Yeast Lipidome by Means of nLC/NSI-MS/MS'.
Answer: Saccharomyces cerevisiae is a eukaryotic model organism widely used for the investigation of fundamental cellular processes and disease mechanisms. Consequently, the lipid landscape of yeast has been extensively investigated and up to this day the lipidome is considered as rather basic. Here, we used a nLC/NSI-MS/MS method combined with a semi-autonomous data analysis workflow for an in-depth evaluation of the steady state yeast lipidome. We identified close to 900 lipid species across 26 lipid classes, including glycerophospholipids, sphingolipids, glycerolipids and sterol lipids. Most lipid classes are dominated by few high abundant species, with a multitude of lower abundant lipids contributing to the overall complexity of the yeast lipidome. Contrary to previously published datasets, odd-chain and diunsaturated fatty acyl moieties were found to be commonly incorporated in multiple lipid classes. Careful data evaluation furthermore revealed the presence of putative new lipid species such as MMPSs (mono-methylated phosphatidylserine), not yet described in yeast. Overall, our analysis achieved a more than 4-fold increase in lipid identifications compared to previous approaches, underscoring the use of nLC/NSI-MS/MS methods for the in-depth investigation of lipidomes.