For the extracted data, ion peaks with more than 50% missing values within a group were excluded from subsequent statistical analysis. Total peak areas were normalized separately for positive and negative ions, followed by merging the peaks and performing pattern recognition using Python software. After preprocessing with Unit variance scaling (UV), the data underwent further analysis (see the web-based report).
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - negative - reverse-phase","Liquid Chromatography MS - positive - reverse-phase"],"chromatography_protocol":["Throughout the entire analysis process, samples were loaded into an automated sampler at 4°C using the SHIMADZU-LC30 ultra-high performance liquid chromatography (UHPLC) system equipped with an ACQUITY UPLC® HSS T3 column (2.1×100 mm, 1.8 µm; Waters, Milford, MA, USA). The injection volume was 10 μL, column temperature was 40°C, and flow rate was 0.3 mL/min. The mobile phases were as follows: Phase A: 0.1% formic acid aqueous solution; Phase B: 0.1% formic acid in acetonitrile. The elution gradient was designed as follows: 0–2 min, Phase B; 2–3.3 min, Phase B linearly increasing from 0% to 48%; 3.3–5.1 min, Phase B linearly increasing from 48% to 100%; 5.1–7.2 min, Phase B maintained at 100%; 7.2–7.3 min, Phase B linearly decreasing from 100% to 0%; 7.3–10 min, Phase B maintained at 0%.
"],"publication":["Xuezhikang Ameliorating Non-Alcoholic Fatty Liver Disease via the Gut Microbiota-Metabolite-Ferroptosis Axis: A Multi-Omics Study."],"submitter_affiliation":["Zhejiang University of Technology"],"submitter_name":["B S"],"organism_part":["blood"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["An NAFLD mouse model was induced via a high-fat diet (HFD) and subsequently treated with XZK for 10 weeks. Gut microbiota composition in cecal contents was profiled via 16S rRNA gene sequencing, while untargeted metabolomics was conducted using UPLC-LTQ-Orbitrap-MS. Additionally, an integrated analysis was performed to evaluate correlations between differential metabolites and specific gut microbial taxa. Hepatic ferroptosis was assessed by measuring the expression of key proteins using immunohistochemistry and Western blotting.
"],"organism":["Mus musculus"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS14743"],"author":["Wang Juan. Department of Chinese Medicine, The First Affiliated Hospital of Zhengzhou University, Zhengzhou 450000, China.. wangjuan6691@163.com.","Chunsheng Zhu. Department of Chinese Medicine, The First Affiliated Hospital of Zhengzhou University, Zhengzhou 450000, China.. zhuchunsheng6@163.com."],"data_transformation_protocol":["The raw data were processed using MSDIAL software for peak alignment, retention time correction, and peak area extraction. Metabolite structure identification was performed through precise mass matching (mass tolerance <10 ppm) and secondary spectrum matching (mass tolerance <0.01 Da), with searches conducted in public databases such as HMDB, MassBank, and GNPS, as well as in the proprietary BP-Metabolite Database.
"],"study_factor":["Treatment"],"submitter_email":["253313593@qq.com"],"sample_collection_protocol":["An NAFLD mouse model was induced via a high-fat diet (HFD) and subsequently treated with XZK for 10 weeks. Gut microbiota composition in cecal contents was profiled via 16S rRNA gene sequencing, while untargeted metabolomics was conducted using UPLC-LTQ-Orbitrap-MS. Additionally, an integrated analysis was performed to evaluate correlations between differential metabolites and specific gut microbial taxa. Hepatic ferroptosis was assessed by measuring the expression of key proteins using immunohistochemistry and Western blotting.
"],"omics_type":["Metabolomics"],"study_design":["Gut microbiota","Metabolomics","Mus musculus","Xuezhikang","Thermo Scientific Orbitrap Fusion Lumos Tribrid","untargeted analysis","Ferroptosis","Shimadzu Nexera X2 UHPLC system (binary pump, DGU-20A degasser, and CBM-20A controller)","Non-alcoholic fatty liver disease","blood","experimental sample"],"curator_keywords":["Gut microbiota","Metabolomics","Mus musculus","Xuezhikang","Thermo Scientific Orbitrap Fusion Lumos Tribrid","untargeted analysis","Ferroptosis","Shimadzu Nexera X2 UHPLC system (binary pump, DGU-20A degasser, and CBM-20A controller)","Non-alcoholic fatty liver disease","blood","experimental sample"],"mass_spectrometry_protocol":["Each sample was analyzed separately in both positive (+) and negative (-) ion modes using electrospray ionization (ESI). After UPLC separation, the samples were subjected to mass spectrometry analysis on an Orbitrap Fusion Lumos Tribrid mass spectrometer (Thermo Scientific) with HESI ionization. The ionization parameters were as follows: Spray Voltage: 3.8 kV (+) and 3.2 kV (-); Capillary Temperature: 320°C (±); Sheath Gas Pressure: 40 bar (±); Aux Gas Pressure: 15 bar (±); Probe Heater Temperature: 350°C (±); S-Lens RF Level: 50. Mass spectrometry acquisition settings included: Acquisition time: 10 min; Parent ion scan range: 75–1050 m/z; Primary mass spectrometry resolution: 50,000 at m/z 200; AGC target value: 3×106; Maximum ionization time (IT) for primary ions: 50 ms. Secondary mass spectrometry data were acquired as follows: after each full scan, ten secondary mass spectra (MS2 scans) of the ions with the highest intensities were triggered. The MS2 parameters were set as follows: resolution 7,500 at m/z 200; AGC target 1×105; maximum MS2 acquisition time 50 ms; activation type HCD; isolation window 2 m/z; normalized collision energy (stepwise) 20,30, and 40.
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Ameliorating Non-Alcoholic Fatty Liver Disease via the Gut Microbiota-Metabolite-Ferroptosis Axis: A Multi-Omics Study","description":"Objective: This study investigated the therapeutic mechanism by which Xuezhikang (XZK) alleviates non-alcoholic fatty liver disease (NAFLD) in mice, with a specific focus on the interplay between the gut microbiota, metabolic alterations, and hepatic ferroptosis. Methods: An NAFLD mouse model was induced via a high-fat diet (HFD) and subsequently treated with XZK for 10 weeks. Gut microbiota composition in cecal contents was profiled via 16S rRNA gene sequencing, while untargeted metabolomics was conducted using UPLC-LTQ-Orbitrap-MS. Additionally, an integrated analysis was performed to evaluate correlations between differential metabolites and specific gut microbial taxa. Hepatic ferroptosis was assessed by measuring the expression of key proteins using immunohistochemistry and Western blotting. Results: XZK treatment significantly ameliorated serum lipid profiles, liver function, and systemic inflammation in NAFLD mice. Regarding the microbiome, XZK reversed gut dysbiosis by restoring microbial community structure, decreasing the abundance of Proteobacteria and opportunistic pathogens (Lawsonia, unclassified Enterobacteriaceae, Enterococcus, etc), while enriching beneficial taxa (Bacteroides, Adlercreutzia, unclassified S24-7, etc). Metabolomic analysis identified 73 differential metabolites (54 upregulated and 19 downregulated), and pathway enrichment confirmed the critical role of ferroptosis in NAFLD pathogenesis. Correlation analysis demonstrated significant associations between differential genera, differential metabolites, and NAFLD-related indicators including ALT, AST, TC, TG, MDA, 4-HNE, Fe, and IL-6. Notably, XZK attenuated hepatic oxidative stress and inhibited the ferroptosis pathway by regulating the expression of glutathione peroxidase 4 (GPX4), heme oxygenase-1 (HO-1) and nuclear factor erythroid 2-related factor 2 (Nrf2). Conclusion: XZK ameliorates NAFLD by restoring gut microbiota homeostasis, correcting metabolic dysregulation, and inhibiting hepatic ferroptosis, thereby validating the gut microbiota-metabolite-ferroptosis axis as a key therapeutic target.","dates":{"publication":"2026-06-16","submission":"2026-06-11"},"accession":"MTBLS14743","cross_references":{"MetaboLights":["MTBLC87123"],"ChEBI":["CHEBI:87123"],"KEGG":["Choline","Creatine","Cyclopentylamine","Cytosine","Cyclohexylamine","Crotamiton","Cyclopentanol","Citrulline","Calyxolane A","Cortisol","Carbapenem","Cortexolone","Cinnamic acid","Chrysosporide","Cyproterone","Cyclododecalactam","CHEMBL492819","Chrysogine, (-)-","Cetoleic acid","Coprocholic acid","Cernuine N-oxide","Cycloechinulin","Cocamidopropyl betaine","Carnosol","Carbapenem biosynthesis intermediate 6","Cryptotanshinone","Climbazol","CP-642931","Cyclamic acid","Chokol G","Cryptolepine","CHEMBL417618","Cochloxanthin","CHEMBL443869","Climbazole","C.I. Basic Red 9","Cimifugin","Chlortoluron","Carbanilide","Carboxy-ibuprofen","Clathculin A","Carnosine","Cyanuric acid","Capric acid","Celecoxib","Cycloheptadecanol","Cortisone","Cholylserine"]}}