LuYuxing/MetaBench huggingface dataset:
Question: Write a study description for the study titled 'Glycoalkaloid composition explains variation in slug resistance in Solanum dulcamara'.
Answer: In natural environments, plants have to deal with a wide range of different herbivores whose communities vary in time and space. It is believed that the chemical diversity within plant species has mainly arisen from selection pressures exerted by herbivores. So far, the effects of chemical diversity on plant resistance have mostly been assessed for arthropod herbivores. However, also gastropods, such as slugs, can cause extensive damage to plants. Here we investigate to what extent individual Solanum dulcamara plants differ in their resistance to slug herbivory and whether this variation can be explained by differences in secondary metabolites. We performed a series of preference assays using the grey field slug (Deroceras reticulatum) and S. dulcamara accessions from eight geographically distinct populations from the Netherlands. Significant and consistent variation in slug preference was found for individual accessions within and among populations. Metabolomic analyses showed that variation in steroidal glycoalkaloids (GAs) correlated with slug preference; accessions with high GA levels were consistently less damaged by slugs. One, strongly preferred, accession with particularly low GA levels contained high levels of structurally related steroidal compounds. These were conjugated with uronic acid instead of the glycoside moieties common for Solanum GAs. Our results illustrate how intraspecific variation in steroidal glycoside profiles affects resistance to slug feeding. This suggests that also slugs should be considered as important drivers in the co-evolution between plants and herbivores.
Question: Write a study description for the study titled 'UHPLC-OE-MS metabolic profile of follicular fluid in patients with ovarian endometriosis: a pilot study of an endometriosis cohort'.
Answer: BACKGROUND: Endometriosis is a common benign gynaecological disorder. A number of studies have confirmed that the occurrence of disease in endometriosis patients is associated with metabolic changes in biological fluids and tissues. We set out to investigate the metabolic characteristics of follicular fluid in patients with ovarian endometriosis undergoing in vitro fertilization (IVF).METHODS: The current research project is an exploratory cohort study on endometriosis. A total of 19 infertile patients with ovarian endometriosis diagnosed by laparoscopy were enrolled in this study and 23 age- and BMI-matched controls (women with infertility due to male or tubal factors). All the patients underwent IVF treatment with a gonadotropin-releasing hormone antagonist protocol and completed follicular fluid (FF) collection at oocyte retrieval. The metabolomics of FF samples was analyzed by ultra high performance liquid chromatography-orbitrap exploris-mass spectrometer (UHPLC-OE-MS). The best combination of biomarkers was then selected by performing stepwise logistic regression analysis with backward elimination. RESULTS: Fifteen metabolites were identified as biomarkers associated with endometriosis. A final model containing 8-hydroxy-2-deoxyguanosine, biotin, n-acetyl-L-methionine and n-methylnicotinamide was constructed. Receiver operating characteristic analysis confirmed the value of these parameters in diagnosing endometriosis, with a sensitivity of 94.7% and a specificity of 95.7%. Analysis of fortification via the Kyoto Encyclopedia of Genes and Genome showed that 15 metabolites were enriched in 8 metabolic pathways.CONCLUSION: Metabolomics based on UHPLC-OE-MS effectively characterized the metabolomics analysis of FF in patients with ovarian endometriosis. These findings may provide a new basis for a better understanding of how diseases progress and for the discovery of new biomarkers.
Question: Write a study description for the study titled 'Effects of Platycodins Folium on Depression in Mice Based on a UPLC-Q/TOF-MS Serum Assay and Hippocampus Metabolomics'.
Answer: Major depressive disorder (MDD), also known as depression, is a state characterized by low mood and aversion to activity. Platycodins Folium (PF) is the dried leaf of Platycodon grandiflorum, with anti-inflammatory and antioxidative activities. Our previous research suggested that PF was rich in flavonoids, phenols, organic acids, triterpenoid saponins, coumarins and terpenoids. This study aimed to investigate the antidepressant effect of PF using lipopolysaccharide (LPS)-induced depressive mice. Several behavior tests (sucrose preference test (SPT), forced swimming test (FST) and tail suspension test (TST)) and biochemical parameters (IL-6, TNF-α and SOD levels) were used to evaluate the antidepressive effect of PF on LPS-induced depression model. Furthermore, a UPLC-Q/TOF-MS-based metabolomics approach was applied to explore the latent mechanism of PF in attenuating depression. As a result, a total of 21 and 11 metabolites that potentially contribute to MDD progress and PF treatment were identified in serum and hippocampus, respectively. The analysis of metabolic pathways revealed that lipid metabolism, amino acid metabolism, energy metabolism, arachidonic acid metabolism, glutathione metabolism and inositol phosphate metabolism were disturbed in a model of mice undergoing MDD and PF treatment. These results help us to understand the pathogenesis of depression in depth, and to discover targets for clinical diagnosis and treatment. They also provide the possibility of developing PF into an anti-depressantive agent.
Question: Write a study description for the study titled 'The functional role of OGDH for maintaining mitochondrial respiration and identity of primed human embryonic stem cells'.
Answer: Human embryonic stem cells (hESCs) can self-renew infinitely or differentiate into the 3 germ layer lineages in vitro with certain cues, holding great promise to model early human embryo development ex vivo. It is wildly accepted that hESCs take advantage of both glycolysis and mitochondrial respiration to favor the naïve pluripotency, while prefer glycolysis to support the primed pluripotency. Thus, the function of mitochondrial respiration in primed hESCs has been underestimated for a long time, and has not been fully understood yet. Herein, we report that the adenosine triphosphate (ATP) production rate is comparable between mitochondrial respiration and glycolysis, suggesting that mitoATP may serve as one of the major sources of the ATP pool in primed hESCs. To further reveal the function of mitochondrial respiration, we deployed inducible CRISPRi method to inhibit OGDH expression with high efficiency, resulting in the TCA cycle blockade as well as the diminishment of mitochondrial respiration activity and total ATP level. Of note, OGDH deficiency led to the exit of primed pluripotency accompanied by cell death. Furthermore, the treatment with small molecule inhibitors to block electron transport chain (ETC) can phenocopy the loss-of-function of OGDH in hESCs. Therefore, genetic and pharmacological perturbations on mitochondrial respiration can impair the stemness of primed hESCs. Collectively, the current study unveils that OGDH acts as a key regulator to fine-tune the abundance of TCA cycle metabolites to ensure the mitochondrial respiration activity in primed hESCs, and highlights the pivotal roles of mitochondrial respiration in terms of ATP production and the maintenance of primed pluripotency. Our findings may provide insights into the linkage between pluripotent states and energy metabolism in hESCs.
Question: Write a study description for the study titled 'Metabolomics approach to understand the resource partitioning in Chlorella during growth'.
Answer: We use untargeted high-resolution mass spectrometry to understand the metabolic differences at exponential and stationary growth stages using 22 Chlorella strains collected from South East Asia. Using this data, we demonstrate the use of a filtering procedure based on the SVD on the untargeted metabolite profile data, compared over two growth stages and run in four batches, and to remove structure in data related to day of sample assay. This approach preserves signal of demonstrable biological origin (strain-related variation in mass feature intensity) after minimizing the influence of batch effects. Our approach will be broadly applicable in metabolomics analysis to identify and remove batch effects. See MTBLS129 for associated study.
Question: Write a study description for the study titled 'Resource Partitioning of Diatom Metabolites that Support Bacterial Heterotrophy in the Ocean (UPLC-MS assay)'.
Answer: The communities of marine bacteria that assemble around living microphytoplankton are predictably dominated by three taxonomic groups, each of which specializes in different components of the available metabolite pool: Rhodobacterales transport small and polar metabolites, Flavobacteriia use carbohydrate-rich polymers, and Gammaproteobacteria use compounds from both classes. The consistent ecological pattern involving these three taxa is widespread throughout the surface ocean, yet whether it reflects the outcome competition or niche partitioning of the phytoplankton-derived compounds is not clear. Addressing this question requires better knowledge than currently exists of the metabolites that link microbial autotrophs and heterotrophs in the surface ocean. Here we used two untargeted biological screening strategies that leverage bacterial proficiency for scavenging dilute substrates from chemically complex mixtures to characterize metabolite uptake by heterotrophic bacteria. In the first, expression patterns of transporters and diagnostic catabolic genes were analyzed in model marine bacteria grown individually in co-culture with the diatom Thalassiosira pseudonana. In the second, the ability of bacteria to draw down exometabolites from the culture medium was detected by novel approaches in mass spectrometry (MS) and nuclear magnetic resonance (NMR) analysis. These methods identified diverse chemical currencies mediating carbon transfer including low molecular weight metabolites (nucleosides, amino acids, organic acids, monomeric sugars, peptides, and sulfonates) and components of polysaccharides (chrysolaminarin, chitin oligomers, and alginate-like oligosaccharides). Bacterial utilization of bioreactive metabolites in the absence of competition indicated low resource overlap among strains and a dominance of resource partitioning over resource competition among the bacterial groups that process a major fraction of marine net primary production.UPLC-MS assay is reported in the current study MTBLS1751NMR assay is reported in MTBLS1544
Question: Write a study description for the study titled 'Metabolomic analysis of seminal fluids in oligoasthenospermia individuals'.
Answer: In this study, we systematically characterized the metabolic signatures of oligoasthenospermia individuals and health controls using high-performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS). Additionally, we performed functional validation of specific differential metabolites in terms of their roles in enhancing sperm vitality and providing cryoprotection. This study aimed to comprehensively analyze the metabolomic signatures of seminal plasma in men with oligoasthenospermia, identify novel markers and for diagnosing and ART treating, and to provide effective strategies for improving sperm motility during in vitro manipulation in cases of oligoasthenospermia, which facilitating a deeper understanding of the mechanisms underlying male factor infertility and the protective mechanisms of sperm damage.
Question: Write a study description for the study titled 'Longitudinal Deep Multi-Omics Profiling in aCLN3Δex7/8Minipig Model Reveals Novel Biomarker Signatures for Batten Disease'.
Answer: Development of therapies for CLN3 Batten disease, a rare pediatric lysosomal storage disorder, has been hindered by the lack of etiological insights and translatable biomarkers to clinics. Here, we used a deep multi-omics approach to discover new biomarkers using longitudinal serum samples from a porcine model of CLN3 disease. Comprehensive metabolomics was combined with a nanoparticle-based LC-MS-based proteomic profiling coupled with TMTpro 18-plex to generate quantitative data on 769 metabolites and 2,634 proteins, collectively the most exhaustive multi-omics profile conducted on serum from a porcine model, which was previously impossible due a to lack of efficient deep serum proteome profiling technologies compatible with model organisms. The presymptomatic disease state was characterized by elevations in glycerophosphodiester species and lysosomal proteases, while later timepoints were enriched with species involved in immune cell activation and sphingolipid metabolism. Cathepsin S, Cathepsin B, glycerophosphoinositol, and glycerophosphoethanolamine captured a large portion of the genotype-correlated variation between healthy and diseased animals, suggesting that an index score based on these analytes could have great utility in the clinic.
Question: Write a study description for the study titled 'Ecological effects of water and fertilizer coupling on poplar planting soil'.
Answer: While irrigation and fertilization are basic cultivation practices in poplar plantations on a global scale, the impact of these practices on the environment is not well understood. Here, we demonstrate that water-urea coupling and water-compound fertilizer coupling differentially impact soil ecosystems. We report that water-fertilizer coupling did not significantly alter taxonomic diversity indices (richness, evenness), but it did drive significant shifts in microbial community composition, reflected by changes in the relative abundance of specific taxa (e.g., core phyla) and their functional profiles. Water-urea coupling reduced Proteobacteria and Actinobacteria in non-rhizosphere soils while increasing Acidobacteria and Chloroflexi. In contrast, water-compound fertilizer coupling amplified Proteobacteria and Actinobacteria dominance in rhizosphere soils. Water-fertilizer coupling reshaped microbial composition and functional gene abundance linked to nitrogen and sulfur cycling, indicating a potential shift in microbial-mediated N and S transformation processes. Water-urea treatment enriched denitrification genes and dissimilatory nitrate reduction genes (napABC) in rhizosphere soil, while water-compound fertilizer treatment enhanced nitrification (amoABC, HAO) and denitrification gene abundance in both soils. For sulfur (S) cycling, water-urea treatment favored thiosulfate oxidation genes (SOX complex), whereas water-compound fertilizer treatment increased assimilatory sulfate reduction genes. Multi-omics integration linked these microbial dynamics to metabolic reprogramming—water-urea increased lipid and secondary metabolites in rhizosphere soils, while water-compound fertilizers elevated amino acid-associated metabolites in non-rhizosphere soils.
Question: Write a study description for the study titled 'Red-Fleshed Apple Anthocyanin Extracts Attenuate Male Reproductive System Dysfunction Caused by Busulfan in Mice (Mouse blood plasma; UPLC-MS/MS assays)'.
Answer: In this research, we analyzed the effect of oral administration of red-fleshed apple anthocyanin extract (RAAE) on busulfan-treated mice. At first, we showed that the most abundant component in RAAE was cyanidin 3-O-galactoside. To determine the effect of RAAE, mice were divided into control and four different concentrations of RAAE feeding treatment groups (BA0, no RAAE; BA0.1, 0.1 mg/kg; BA1, 1 mg/kg; BA5, 5 mg/kg) following busulfan injection. We observed that RAAE treatments displayed ameliorative effects on male reproductive system dysfunction caused by busulfan, including recovering the irregular arrangements of seminiferous tubules, increasing the number of spermatogonia and spermatocytes, improving sperm concentration by three-fold in BA0.1 and improving sperm motility by two-fold in BA1. LC-MS/MS analysis showed significant up- or down-regulation of certain metabolites such as lysophosphatidylcholine (LysoPC), L-arginine, glycine, anandamide, and L-carnitine, which could contribute to the positive effects of RAAE, especially in PBA1 (plasma of BA1) and PBA5 (plasma of BA5). Taken together, our results indicate that 1 mg/kg of RAAE is a suitable concentration for rescuing spermatogenesis in mice. Our research suggests that RAAE could be a potential nutraceutical for protecting spermatogenesis after busulfan therapy in cancer.UPLC-MS/MS assays of Mouse blood plasma are reported in the current study MTBLS2782.UPLC-MS/MS assay of Apple extract is reported in MTBLS2863.
Question: Write a study description for the study titled 'Finger sweat analysis enables short interval metabolic biomonitoring in humans'.
Answer: Metabolic biomonitoring in humans is typically based on the sampling of blood, plasma or urine. Although established in the clinical routine, these sampling procedures are often associated with a variety of compliance issues and are impractical for performing time-course studies. The analysis of the minute amounts of sweat sampled from the fingertip enables a solution to this challenge. Sweat sampling from the fingertip is non-invasive and robust and can be accomplished repeatedly by untrained personnel. This matrix represents a rich source for metabolomic phenotyping, which is exemplified by the detection of roughly 50’000 features per sample. Moreover, the determined limits of detection demonstrate that the ingestion of 200 μg of a xenobiotic may be sufficient for its detection in sweat from the fingertip. The feasibility of short interval sampling of sweat from the fingertips was confirmed in three time-course studies after coffee consumption or ingestion of a caffeine capsule, successfully monitoring all known caffeine metabolites. Fluctuations in the rate of sweat production were accounted for by mathematical modelling to reveal individual rates of caffeine uptake, metabolism and clearance. Biomonitoring using sweat from the fingertip has far reaching implications for personalised medical diagnostics and biomarker discovery.This data was generated for the revision of the manuscript. The original study can be found with the identifier MTBLS2772.
Question: Write a study description for the study titled 'A conserved metabolic signature associated with response to fast-acting antimalarial agents'.
Answer: Characterizing the mode of action of antimalarial compounds that emerge from high-throughput phenotypic screens is central to understanding how parasite resistance to these drugs can emerge. Here, we have employed untargeted metabolomics to inform on the mechanism of action of antimalarial leads with different speed of kill profiles being developed by the Novartis Institute of Tropical Diseases (NITD). Time-resolved global changes in malaria parasite metabolite profiles upon drug treatment were quantified using liquid chromatography-based mass spectrometry (LC-MS) and compared to untreated controls. Using this approach, we confirmed previously reported metabolomics profiles of the fast-killing (2.5 h) drug dihydroartemisinin (DHA) and the slower killing atovaquone (ATQ). A slow acting antimalarial lead from NITD of imidazolopiperazine (IZP) class, GNF179, elicited little or no discernable metabolic change in malaria parasites in the same 2.5 h window of drug exposure. In contrast, fast killing drugs, DHA and the spiroindolone (NITD246) elicited similar metabolomic profiles both in terms of kinetics and content. DHA and NITD246 induced peptide losses consistent with disruption of haemoglobin catabolism and also interfered with the pyrimidine biosynthesis pathway. Two members of the recently described novel class of antimalarial agents of the 5-aryl-2-amino-imidazothiadiazole (ITD) class also exhibited a fast-acting profile that also featured peptide losses indicative of disrupted haemoglobin catabolism. Our screen demonstrates that structurally unrelated, fast acting antimalarial compounds generate similar biochemical signatures in Plasmodium pointing to a common mechanism associated with rapid parasite death. These profiles may be used to identify and possibly predict the mode of action of other fast-acting drug candidates.
Question: Write a study description for the study titled 'Nontargeted and targeted metabolomics measurements of abiotic stress responses in three-week-old Arabidopsis thaliana plants' rosette leaf tissue'.
Answer: Nontargeted and targeted metabolomics measurements of abiotic stress responses in three-week-old Arabidopsis thaliana plants' rosette leaf tissue for Col-0 wild type plants and double/triple knockout mutants of aquaporins (pip2;1 pip2;2 and pip2;1 pip2;2 pip2;4) treated with drought, heat at different air humidities, or combined drought-heat stress at different air humidities. This experiment contains FT-ICR-MS measurements for 103 Arabidopsis thaliana rosette leaf samples covering three genotypes under six different environmental conditions. The three genotypes comprise the Col-0 wildtype and two loss-of-function mutants of aquaporins, a pip2;1 pip2;2 double mutant and a pip2;1 pip2;2 pip2;4 triple mutant (respective AGI locus identifiers: AT3G53420, AT2G37170, AT5G60660). The six conditions include control condition (well-watered, 22 °C, 70% relative air humidity), drought stress (one week without watering), heat stress without changing the absolute humidity of the ambient air (6 hours at 33 °C, 37% relative air humidity), heat stress with supplemented air humidity to maintain a constant vapor pressure deficit before and during the heat episode (6 hours at 33 °C, 84% relative air humidity), and the combinations of drought pretreatment with each of the two heat stress variants (one week of drought followed by 6 hours of heat stress). Samples from all conditions were harvested at the same time (within 15 min starting at 5 pm). For validation, GC-TOF-MS measurements were done for two genotypes (wildtype, double mutant) and two conditions (drought, control) on partially overlapping samples.
Question: Write a study description for the study titled 'Deep Characterisation of the sn-Isomer Lipidome Using High-Throughput Data-Independent Acquisition and Ozone-Induced Dissociation'.
Answer: We report a workflow that enables untargeted characterization of hundreds of sn-resolved glycerophospholipid isomers from biological extracts in less than 20 min. It reveals that sn-isomer populations are tightly regulated and significantly different between cell lines and enables identification of rare lipids containing ultra long chain monounsaturated fatty acyl chains at the sn-1 position. It provides an order of magnitude increases over the number of sn-isomer pairs previously reported and is coupled with an automated data analysis pipeline.