{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003481","ANALYSIS_ID":"AN005716","PROJECT_ID":"PR002138","VERSION":"1","CREATED_ON":"September 19, 2024, 9:25 pm"},

"PROJECT":{"PROJECT_TITLE":"Synbiotic galactooligosachaccharides and Lactobacillus reuteri on gut inflammation","PROJECT_SUMMARY":"Galactooligosaccharides (GOS) and Lactobacillus reuteri are well-known prebiotic and probiotic, respectively, with great benefits in microbial balance and intestinal barrier function. L. reuteri can utilize GOS as a carbon resource, providing the foundation for synbiotic development.It is important to identify the intestinal bacteria and metabolites regulated by the synbiotic and then the beneficial effects of identified intestinal bacteria and metabolites will be evaluated in animals with gut inflammation via cytokines detection and metabolomics.","INSTITUTE":"China Agricultrual University","LAST_NAME":"Wu","FIRST_NAME":"Yujun","ADDRESS":"Yumingyuan West Road, Beijing, Beijing, 100193, China","EMAIL":"yujun@cau.edu.cn","PHONE":"18801068572"},

"STUDY":{"STUDY_TITLE":"Therapeutic potential of galactooligosachaccharides and Lactobacillus reuteri supplementation on dextran sulfate sodium-induced gut inflammation","STUDY_SUMMARY":"Dextran sulfate sodium (DSS)-induced inflammatory bowel disease characterized by intestinal inflammation, barrier dysfunction, and dysbiosis, with limited treatment options available. This study systematically investigates the therapeutic potential of a synbiotic composed of galactooligosaccharides (GOS) and Limosilactobacillus reuteri in a murine model of colitis, revealing that GOS and L. reuteri synergistically protect against intestinal inflammation and barrier dysfunction by promoting the synthesis of pentadecanoic acid, an odd-chain fatty acid, from Bacteroides acidifaciens (B. acidifaciens). Intestinal segments and feces from DSS-treated mice were collected for cytokines detection and metabolomics. Notably, the synbiotic, B. acidifaciens, and pentadecanoic acid are each capable of suppressing intestinal inflammation and enhancing tight junction by inhibiting NF-κB activation. Furthermore, similar reduction in B. acidifaciens and pentadecanoic acid levels are also observed in the feces from both human ulcerative colitis (UC) patients and lipopolysaccharide-induced intestinal inflammation in pigs. Our findings elucidate the protective mechanism of the synbiotic and highlight its therapeutic potential, along with B. acidifaciens and pentadecanoic acid, for intestinal inflammatory disorders.","INSTITUTE":"China Agricultural University","LAST_NAME":"Wu","FIRST_NAME":"Yujun","ADDRESS":"Yumingyuan West Road","EMAIL":"yujun@cau.edu.cn","PHONE":"18801068572"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"A496",
"Factors":{"Groups":"CON","Sample source":"feces"},
"Additional sample data":{"RAW_FILE_NAME":"A496"}
},
{
"Subject ID":"-",
"Sample ID":"A431",
"Factors":{"Groups":"CON","Sample source":"feces"},
"Additional sample data":{"RAW_FILE_NAME":"A431"}
},
{
"Subject ID":"-",
"Sample ID":"A75",
"Factors":{"Groups":"CON","Sample source":"feces"},
"Additional sample data":{"RAW_FILE_NAME":"A75"}
},
{
"Subject ID":"-",
"Sample ID":"A244",
"Factors":{"Groups":"CON","Sample source":"feces"},
"Additional sample data":{"RAW_FILE_NAME":"A244"}
},
{
"Subject ID":"-",
"Sample ID":"A53",
"Factors":{"Groups":"CON","Sample source":"feces"},
"Additional sample data":{"RAW_FILE_NAME":"A53"}
},
{
"Subject ID":"-",
"Sample ID":"A59",
"Factors":{"Groups":"CON","Sample source":"feces"},
"Additional sample data":{"RAW_FILE_NAME":"A59"}
},
{
"Subject ID":"-",
"Sample ID":"A437",
"Factors":{"Groups":"DSS","Sample source":"feces"},
"Additional sample data":{"RAW_FILE_NAME":"A437"}
},
{
"Subject ID":"-",
"Sample ID":"A215",
"Factors":{"Groups":"DSS","Sample source":"feces"},
"Additional sample data":{"RAW_FILE_NAME":"A215"}
},
{
"Subject ID":"-",
"Sample ID":"A440",
"Factors":{"Groups":"DSS","Sample source":"feces"},
"Additional sample data":{"RAW_FILE_NAME":"A440"}
},
{
"Subject ID":"-",
"Sample ID":"A433",
"Factors":{"Groups":"DSS","Sample source":"feces"},
"Additional sample data":{"RAW_FILE_NAME":"A433"}
},
{
"Subject ID":"-",
"Sample ID":"A79",
"Factors":{"Groups":"DSS","Sample source":"feces"},
"Additional sample data":{"RAW_FILE_NAME":"A79"}
},
{
"Subject ID":"-",
"Sample ID":"A500",
"Factors":{"Groups":"DSS","Sample source":"feces"},
"Additional sample data":{"RAW_FILE_NAME":"A500"}
},
{
"Subject ID":"-",
"Sample ID":"A235",
"Factors":{"Groups":"GL","Sample source":"feces"},
"Additional sample data":{"RAW_FILE_NAME":"A235"}
},
{
"Subject ID":"-",
"Sample ID":"A20",
"Factors":{"Groups":"GL","Sample source":"feces"},
"Additional sample data":{"RAW_FILE_NAME":"A20"}
},
{
"Subject ID":"-",
"Sample ID":"A236",
"Factors":{"Groups":"GL","Sample source":"feces"},
"Additional sample data":{"RAW_FILE_NAME":"A236"}
},
{
"Subject ID":"-",
"Sample ID":"A24",
"Factors":{"Groups":"GL","Sample source":"feces"},
"Additional sample data":{"RAW_FILE_NAME":"A24"}
},
{
"Subject ID":"-",
"Sample ID":"A21",
"Factors":{"Groups":"GL","Sample source":"feces"},
"Additional sample data":{"RAW_FILE_NAME":"A21"}
},
{
"Subject ID":"-",
"Sample ID":"A12",
"Factors":{"Groups":"GL","Sample source":"feces"},
"Additional sample data":{"RAW_FILE_NAME":"A12"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Feces from DSS-treat mice in CON, DSS, and GL group were collected.","SAMPLE_TYPE":"Feces","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"24 8-week male C57BL/6 mice were allocated into three groups: CON, DSS, and GL, respectively treated with PBS, 3%DSS in water supplemented with/without GOS or L.reuteri(CON = Treatment with PBS, DSS = Treatment with 3%DSS, GL = Treatment with 3%DSS+GOS+L.reuteri). After one-week treatment, feces from mice were collected for further metabolomics."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"5 mg feces were homogenized in 25 μL water, and the metabolites were extracted with 120 μL ice-cold methanol containing 306 internal standards. Following centrifugation at 18,000 × g for 20 min, 20 μL supernatant was derivatized with prepared derivative reagents on Eppendorf epMotion Workstation"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"ACQUITY UPLC BEH C18 1.7 µM VanGuard pre-column (2.1×5 mm) and ACQUITY UPLC BEH C18 1.7 µM analytical column (2.1 × 100 mm)","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Waters Acquity","COLUMN_NAME":"Waters Acquity UPLC BEH C18 (100 x 2.1mm, 1.7um); Waters Acquity UPLC BEH C18 Vanguard pre-column (5 x 2.1mm, 1.7um)","SOLVENT_A":"100% water; 0.1% formic acid","SOLVENT_B":"70% acetonitrile/30% Isopropanol","FLOW_GRADIENT":"0-1 min (5% B), 1-11min (5-78% B), 11-13.5 min (78-95% B), 13.5-14 min (95-100% B), 14-16 min (100% B)， 16-16.1 min (100-5% B)， 16.1-18 min (5% B)","FLOW_RATE":"0.40 mL/min","COLUMN_TEMPERATURE":"40"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"Waters Xevo-TQ-S","INSTRUMENT_TYPE":"Triple quadrupole","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"MS settings: Capillary (Kv),1.5 (ESI+), 2.0 (ESI-); Source Temperature, 150℃; Desolvation Temperature, 550℃; Desolvation Gas Flow, 1000 L/Hr. The raw data files generated by UPLC-MS/MS were processed using the TMBQ software (v1.0, Metabo-Profile, Shanghai, China) to perform peak integration, calibration, and quantitation for each metabolite. The self-developed platform iMAP（v1.0, Metabo-Profile, Shanghai, China） was used for statistical analyses, including PCA, OPLS-DA, univariate analysis and pathway analysis."},

"MS_METABOLITE_DATA":{
"Units":"nmol/g feces",

"Data":[{"Metabolite":"1-Methylhistidine","A496":"5.214","A431":"5.761","A75":"4.893","A244":"4.034","A53":"5.268","A59":"4.310","A437":"3.541","A215":"3.392","A440":"4.600","A433":"9.676","A79":"4.114","A500":"6.927","A235":"3.758","A20":"7.024","A236":"3.992","A24":"1.967","A21":"3.376","A12":"7.308"},{"Metabolite":"2,3-Diaminopropionic acid","A496":"1.345","A431":"2.530","A75":"2.032","A244":"2.719","A53":"1.506","A59":"2.090","A437":"2.798","A215":"1.166","A440":"1.092","A433":"1.778","A79":"0.815","A500":"2.035","A235":"1.448","A20":"1.405","A236":"4.310","A24":"1.258","A21":"0.922","A12":"1.286"},{"Metabolite":"4-Hydroxyproline","A496":"27.920","A431":"26.653","A75":"41.213","A244":"13.255","A53":"11.914","A59":"12.466","A437":"22.624","A215":"0.000","A440":"36.475","A433":"29.857","A79":"64.963","A500":"16.110","A235":"13.023","A20":"38.350","A236":"15.802","A24":"9.440","A21":"30.569","A12":"74.521"},{"Metabolite":"5-Aminolevulinic acid","A496":"160.975","A431":"152.948","A75":"61.077","A244":"449.793","A53":"31.383","A59":"349.186","A437":"566.617","A215":"325.894","A440":"79.373","A433":"67.623","A79":"99.220","A500":"15.393","A235":"96.856","A20":"296.694","A236":"108.617","A24":"115.118","A21":"137.279","A12":"327.381"},{"Metabolite":"Acetylglycine","A496":"63.933","A431":"57.329","A75":"29.705","A244":"143.880","A53":"0.000","A59":"91.526","A437":"223.674","A215":"90.899","A440":"47.844","A433":"40.968","A79":"65.650","A500":"11.694","A235":"23.828","A20":"0.000","A236":"42.235","A24":"32.072","A21":"0.000","A12":"0.000"},{"Metabolite":"Alanine","A496":"4246.098","A431":"4014.001","A75":"3083.919","A244":"6224.462","A53":"1791.719","A59":"7593.453","A437":"10113.801","A215":"4814.978","A440":"2067.382","A433":"1839.028","A79":"2188.087","A500":"1099.789","A235":"1870.792","A20":"6200.734","A236":"4159.097","A24":"4855.673","A21":"3971.758","A12":"3879.776"},{"Metabolite":"alpha-Aminobutyric acid","A496":"194.416","A431":"186.753","A75":"157.593","A244":"436.234","A53":"57.411","A59":"346.529","A437":"247.642","A215":"226.287","A440":"100.065","A433":"76.674","A79":"130.817","A500":"52.810","A235":"93.380","A20":"177.800","A236":"211.354","A24":"105.491","A21":"109.102","A12":"156.934"},{"Metabolite":"Aminocaproic acid","A496":"9.630","A431":"8.970","A75":"15.542","A244":"10.627","A53":"9.049","A59":"7.392","A437":"4.046","A215":"6.680","A440":"6.830","A433":"9.890","A79":"7.228","A500":"7.945","A235":"5.480","A20":"32.462","A236":"17.316","A24":"3.285","A21":"3.328","A12":"9.833"},{"Metabolite":"Arginine","A496":"819.662","A431":"920.596","A75":"258.298","A244":"240.190","A53":"494.475","A59":"212.670","A437":"4091.552","A215":"2106.967","A440":"963.954","A433":"988.696","A79":"582.998","A500":"803.849","A235":"728.879","A20":"439.125","A236":"161.364","A24":"94.353","A21":"97.922","A12":"119.452"},{"Metabolite":"Asparagine","A496":"84.107","A431":"78.730","A75":"53.040","A244":"79.278","A53":"34.523","A59":"63.908","A437":"798.608","A215":"109.075","A440":"66.635","A433":"48.044","A79":"55.695","A500":"44.350","A235":"54.081","A20":"94.227","A236":"53.190","A24":"38.041","A21":"34.029","A12":"30.930"},{"Metabolite":"Aspartic acid","A496":"2427.189","A431":"2130.806","A75":"2175.026","A244":"2311.780","A53":"1211.814","A59":"1758.910","A437":"4548.239","A215":"1565.066","A440":"858.168","A433":"1571.087","A79":"1098.255","A500":"1890.418","A235":"1241.191","A20":"6336.878","A236":"2624.046","A24":"1869.376","A21":"1674.150","A12":"1619.936"},{"Metabolite":"beta-Alanine","A496":"132.558","A431":"126.490","A75":"174.415","A244":"175.505","A53":"42.704","A59":"780.064","A437":"92.984","A215":"68.340","A440":"21.012","A433":"38.490","A79":"26.765","A500":"20.940","A235":"34.250","A20":"132.591","A236":"264.848","A24":"228.413","A21":"247.355","A12":"115.277"},{"Metabolite":"Citrulline","A496":"1145.641","A431":"1119.537","A75":"758.424","A244":"2011.115","A53":"340.500","A59":"1861.352","A437":"2270.160","A215":"643.043","A440":"504.779","A433":"493.849","A79":"610.347","A500":"303.151","A235":"483.394","A20":"2252.089","A236":"2022.645","A24":"1265.023","A21":"850.048","A12":"954.181"},{"Metabolite":"Creatine","A496":"194.901","A431":"203.004","A75":"38.058","A244":"47.935","A53":"46.656","A59":"61.589","A437":"286.184","A215":"576.051","A440":"153.051","A433":"291.499","A79":"287.915","A500":"57.182","A235":"127.178","A20":"83.664","A236":"46.599","A24":"49.112","A21":"21.711","A12":"48.422"},{"Metabolite":"Dimethylglycine","A496":"34.860","A431":"30.754","A75":"11.073","A244":"59.367","A53":"17.065","A59":"22.156","A437":"10.322","A215":"39.672","A440":"12.966","A433":"14.795","A79":"12.059","A500":"16.227","A235":"8.721","A20":"25.696","A236":"175.345","A24":"18.296","A21":"104.948","A12":"42.724"},{"Metabolite":"GABA","A496":"165.674","A431":"151.733","A75":"93.790","A244":"101.745","A53":"41.371","A59":"362.827","A437":"48.669","A215":"90.095","A440":"112.700","A433":"236.666","A79":"122.666","A500":"102.411","A235":"166.987","A20":"286.570","A236":"280.055","A24":"89.572","A21":"45.143","A12":"99.768"},{"Metabolite":"Glutamic acid","A496":"1987.375","A431":"1909.587","A75":"1629.510","A244":"2855.134","A53":"648.156","A59":"2413.412","A437":"3195.274","A215":"958.280","A440":"773.321","A433":"970.998","A79":"1095.602","A500":"1150.474","A235":"1509.166","A20":"5165.864","A236":"1594.813","A24":"2471.363","A21":"1887.606","A12":"3346.545"},{"Metabolite":"Glutamine","A496":"1100.287","A431":"993.071","A75":"453.374","A244":"1374.453","A53":"379.859","A59":"1830.821","A437":"1851.942","A215":"1409.813","A440":"743.914","A433":"484.849","A79":"659.147","A500":"372.814","A235":"417.626","A20":"1227.352","A236":"1415.046","A24":"599.152","A21":"563.277","A12":"558.757"},{"Metabolite":"Glycine","A496":"1276.396","A431":"1419.278","A75":"1225.687","A244":"1849.756","A53":"524.376","A59":"1717.647","A437":"2868.113","A215":"898.027","A440":"845.442","A433":"873.041","A79":"916.640","A500":"499.245","A235":"584.747","A20":"2052.142","A236":"1168.215","A24":"994.132","A21":"1176.565","A12":"1421.776"},{"Metabolite":"Histidine","A496":"345.991","A431":"335.530","A75":"177.385","A244":"366.786","A53":"179.256","A59":"826.711","A437":"477.165","A215":"334.944","A440":"248.446","A433":"225.324","A79":"313.150","A500":"228.814","A235":"176.797","A20":"451.602","A236":"357.490","A24":"217.983","A21":"303.440","A12":"190.195"},{"Metabolite":"Isoleucine","A496":"829.282","A431":"856.890","A75":"719.956","A244":"1445.705","A53":"321.471","A59":"1282.189","A437":"3395.215","A215":"1101.304","A440":"633.732","A433":"419.314","A79":"551.222","A500":"223.684","A235":"390.589","A20":"1660.962","A236":"726.282","A24":"927.924","A21":"922.893","A12":"736.575"},{"Metabolite":"Leucine","A496":"1659.494","A431":"1703.284","A75":"979.672","A244":"2476.086","A53":"602.783","A59":"2407.731","A437":"6591.849","A215":"3313.440","A440":"1318.569","A433":"898.826","A79":"1030.715","A500":"347.339","A235":"696.369","A20":"2633.831","A236":"1462.981","A24":"1256.522","A21":"1322.610","A12":"1099.718"},{"Metabolite":"Lysine","A496":"5796.075","A431":"5909.396","A75":"1958.596","A244":"7893.456","A53":"4555.941","A59":"9583.417","A437":"10148.435","A215":"4270.733","A440":"2783.260","A433":"5767.286","A79":"2090.269","A500":"12076.305","A235":"5741.978","A20":"5966.026","A236":"6033.762","A24":"3839.985","A21":"2746.681","A12":"2383.358"},{"Metabolite":"Methionine","A496":"831.538","A431":"772.880","A75":"423.038","A244":"996.354","A53":"254.446","A59":"876.037","A437":"2956.294","A215":"750.989","A440":"474.411","A433":"462.663","A79":"433.063","A500":"357.797","A235":"374.202","A20":"1958.287","A236":"679.171","A24":"930.692","A21":"671.190","A12":"734.556"},{"Metabolite":"Methylcysteine","A496":"1.208","A431":"0.925","A75":"0.757","A244":"2.056","A53":"0.657","A59":"2.703","A437":"0.686","A215":"1.748","A440":"0.558","A433":"0.678","A79":"0.746","A500":"0.577","A235":"1.168","A20":"1.442","A236":"2.085","A24":"0.851","A21":"0.780","A12":"1.677"},{"Metabolite":"N-Acetyaspartic 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acid","KEGG":"C08365"},{"Metabolite":"Sebacic acid","KEGG":"C08277"},{"Metabolite":"Suberic acid","KEGG":"C08278"},{"Metabolite":"Tridecanoic acid","KEGG":"C17076"},{"Metabolite":"Undecanoic acid","KEGG":"C17715"},{"Metabolite":"Imidazolepropionic acid","KEGG":"C20522"},{"Metabolite":"Indole-3-carboxaldehyde","KEGG":"C08493"},{"Metabolite":"Indole-3-carboxylic acid","KEGG":"C19837"},{"Metabolite":"Indole-3-propionic acid","KEGG":"NA"},{"Metabolite":"Indole-3-pyruvic acid","KEGG":"C00331"},{"Metabolite":"Indoleacetic acid","KEGG":"C00954"},{"Metabolite":"Indolelactic acid","KEGG":"C02043"},{"Metabolite":"AMP","KEGG":"C00020"},{"Metabolite":"2-Hydroxy-3-methylbutyric acid","KEGG":"NA"},{"Metabolite":"2-Hydroxybutyric acid","KEGG":"C05984"},{"Metabolite":"2-Hydroxyglutaric acid","KEGG":"C02630"},{"Metabolite":"3-Hydroxybutyric acid","KEGG":"C01089"},{"Metabolite":"3-Methyl-2-oxopentanoic acid","KEGG":"C00671"},{"Metabolite":"Aconitic 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acid","KEGG":"C00253"},{"Metabolite":"N-Methylnicotinamide","KEGG":"NA"},{"Metabolite":"Picolinic acid","KEGG":"C10164"},{"Metabolite":"3-Hydroxyisovaleric acid","KEGG":"NA"},{"Metabolite":"Acetic acid","KEGG":"C00033"},{"Metabolite":"Butyric acid","KEGG":"C00246"},{"Metabolite":"Caproic acid","KEGG":"C01585"},{"Metabolite":"Ethylmethylacetic acid","KEGG":"C18319"},{"Metabolite":"Isobutyric acid","KEGG":"C02632"},{"Metabolite":"Isocaproic acid","KEGG":"NA"},{"Metabolite":"Isovaleric acid","KEGG":"C08262"},{"Metabolite":"Propionic acid","KEGG":"C00163"},{"Metabolite":"Valeric acid","KEGG":"C00803"}]
}

}