Project description:Gigantol is a bioactive compound in Dendrobium officinale with a wide range of pharmacological properties. This study developed an ultrahigh-performance liquid chromatography coupled with quadrupole-time-of-flight mass spectrometry (UHPLC-Q-TOF/MS) method for quantifying gigantol, which was subsequently applied to assess its pharmacokinetics and tissue distribution in Kunming mice. Additionally, the effects of gigantol on peroxisome proliferator-activated receptors (PPARs) were investigated. The UHPLC-Q-TOF/MS method was validated following the guidelines provided by the FDA and EMA for bioanalytical methods. Pharmacokinetic analysis revealed that gigantol exhibits a non-linear kinetic profile. Tissue distribution studies demonstrated high concentrations of gigantol in the liver and lungs. RNA sequencing (RNA-seq) indicated significant enrichment of PPAR signaling pathways in the KEGG database during gigantol-induced gene expression changes in the liver of Kunming mice. Molecular fingerprinting, docking studies and dual luciferase reporter assays confirmed that gigantol is a dual PPARα/γ agonist. These findings provide valuable insights for preclinical research on gigantol.
Project description:<p _msttexthash='64160037318' _msthash='272'>Ultra-high-performance liquid chromatography (UHPLC) was conducted using a Vanquish UHPLC system (Thermo Fisher), coupled with a Q Exactive™ HF/Q Exactive™ HF-X mass spectrometer for liquid chromatography-mass spectrometry (LC-MS) analysis. To ensure high resolution and effective analyte retention, a Hypesil Gold chromatographic column (100 × 2.1 mm, 1.9 µm) was used to separate the samples by hydrophilic interaction chromatography (HILIC). In both positive and negative electrospray ionization (ESI) modes, the chromatographic parameters were as follows: flow rate: 0.2 mL/min, column temperature: 40℃, mobile phase A = 0.1% formic acid, B = methanol. The separated metabolites were then analyzed via mass spectrometry, with a scanning range of m/z 100–1500. The MS/MS secondary scan was performed using a data-dependent acquisition mode, and QC samples were used to correct instrument drift and signal fluctuation. Subsequently, the raw LC-MS data files were processed using Compound Discoverer 3.3 (CD3.3; Thermo Fisher Scientific) (Cooper and Yang, 2024). Initially, each metabolite was screened, and the peak area was normalized using the first QC sample. In the subsequent steps, high-resolution molecular ion peaks and characteristic fragment ions were used to predict molecular formulas, and compared with the mzCloud, mzVault, and MassList databases to achieve accurate metabolite identification and relative quantification.</p>
Project description:Lung transcriptome sequencing anlysis in LPS-induced ALI model rats (Male Sprague-Dawley rats) after treatment with Ma Xing Shi Gan Decoction, In summary, our study suggests that MXSG inhibits viral invasion, proliferation, and mitigation of virus-induced lung injury, which may be a key mechanism of its therapeutic effect on COVID-19. These results provide experience for the treatment of infectious diseases and lung injury. we dissected the chemical components of MXSG by liquid chromatography-mass spectrometry (LC-ESI-MS/MS) and analyzed the intervention pathways of MXSG based on components detected through network pharmacology. At the same time, the therapeutic effect of MXSG on COVID-19 was explained through published articles, and the relevant regulatory mechanism was proposed. Then, in this study, the regulatory effect of MXSG on inflammatory lung injury was explorated through transcriptome results.
Project description:<p>The marine microbiome contributes to nearly half of our planet’s net primary production. It plays a central role in the ocean’s carbon cycle through both passive and active release of metabolites into seawater, forming a pool of dissolved compounds known as the marine exometabolome.</p><p><br></p><p>Here, we introduce an untargeted metabolomics dataset of marine dissolved organic compounds collected aboard the scientific research vessel Tara during the AtlantECO Mission Microbiomes expedition (2021-2022). A total of 367 samples were collected from multiple depths across 107 sites in the South Atlantic Ocean, covering environments influenced by major river plumes (e.g., Amazon, Senegal), coastal upwelling systems, and the Weddell Sea. Metabolites were analyzed in positive ionization mode using ultra-high pressure liquid chromatography coupled to high-resolution mass spectrometry (UHPLC-HRMS) and tandem MS. Available data includes both raw (i.e, chromatograms and mass spectra) and pre-processed formats (i.e, intensity tables and annotation files). This dataset provides a resource for the investigation of marine metabolic diversity and dynamics and supports comparative studies across marine environments.</p>
Project description:Eriocitrin, found in lemon fruit, has shown a wide range of biological properties. Herein, to evaluate the intestinal metabolic profile of eriocitrin in colon, the flavonoids in mice colon contents were identified by ultra performance liquid chromatography-electrospray ionization-tandem mass spectrometry (UPLC-ESI-MS/MS), and a total of 136 flavonoids were found, including eriocitrin and its six metabolites (eriodictyol, homoeriodictyol, hesperetin, eriodictyol-3'-O-glucoside, hesperetin-7-O-glucoside and eriodictyol-7-O-(6''-O-galloyl) glucoside). Mice colon contents were used for 16S rDNA gene sequencing and gas chromatography-mass (GC-MS). Resultu showed that eriocitrin significantly alters the beta diversity of the gut microbiota, the probiotics such as Lachnospiraceae_UCG_006 were significantly enriched, and the production of butyrate, valerate and hexanoate in the colon pool of short-chain fatty acids (SCFAs) were significant increased. The spearman's association analysis performed some intestinal bacteria may be involved in the metabolism of eriocitrin. Collectively, our results preliminarily suggesting the metabolism of eriocitrin in the gut, demonstrate alterations of eriocitrin on gut microbiota, which warrants further investigation to determine its potential use in food and biomedical applications.
Project description:The discovery of dynamic and reversible modifications in messenger RNA (mRNA) is opening new directions in RNA modification-mediated regulation of biological processes. Methylation is the most prevalent modification occurring in mRNA and the methylation group is mainly decorated in the adenine, cytosine, and guanine base, or in the 2’-hydroxyl group of ribose. However, methylation of the uracil base (5-methyluridine, m5U) hasn’t been discovered in mRNA of eukaryotes. In the current study, we established a method by N-cyclohexyl-N’-β-(4-methylmorpholinium) ethylcarbodiimide p-toluenesulfonate (CMCT) labelling coupled with liquid chromatography-electrospray ionization-mass spectrometry analysis (LC-ESI-MS/MS) for the sensitive determination of uridine modifications in RNA. Our results demonstrated that the detection sensitivities of uridine modifications in RNA increased up to 1543 folds upon CMCT labelling. Using the developed method, we identified the distinct existence of m5U in mRNA of various mammalian cells and tissues. In addition, the stable isotope tracing monitored by mass spectrometry revealed that the methylation group of m5U originated from S-Adenosyl-L-methionine (SAM). Our study expanded the list of modifications occurring in mRNA of mammals. Future work on transcriptome-wide mapping of m5U will further uncover the functional roles of m5U in mRNA of mammals.
Project description:UHPLC-HRMS/MS data of murine colon tissue in positive and negative mode. Metabolomics. Reverse phase chromatography using F5 column. Iterative DDA data collected using AcquireX procedure on Thermo MS.
Project description:This dataset contains label-free immunoprecipitation mass spectrometry (IP-MS) data to identify interacting partners of target proteins in human cell lines. Two sample groups (OMM2.3-input, OMM2.3-IP) were generated via co-immunoprecipitation with anti-HBO1 antibody. All LC-MS/MS proteomic detection services were performed by APTBIO (Shanghai Applied Protein Technology Co., Ltd.). Liquid chromatography separation was carried out on Easy-nLC 1000 UHPLC coupled to QExactive Orbitrap mass spectrometer operated in DDA mode with HCD fragmentation. Raw MS data were processed using MaxQuant v1.6.14 for label-free iBAQ quantification against UniProt Homo sapiens database. This submission includes raw Thermo .raw files and all supporting metadata, deposited privately for peer review and will be released publicly upon manuscript publication.