{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001388","ANALYSIS_ID":"AN002317","VERSION":"1","CREATED_ON":"June 2, 2020, 11:14 am"},

"PROJECT":{"PROJECT_TITLE":"Enteric microbiota and liver metabolomics during the postnatal period","PROJECT_SUMMARY":"Following birth, the neonatal intestine is exposed to maternal and environmental bacteria that successively form a dense and highly dynamic intestinal microbiota. Whereas the effect of exogenous factors has been extensively investigated, endogenous, host-mediated mechanisms have remained largely unexplored. Concomitantly with microbial colonization, the liver undergoes functional transition from a hematopoietic organ to a central organ of metabolic regulation and immune surveillance. The aim of the present study was to analyze the influence of the developing hepatic function and liver metabolism on the early intestinal microbiota. Using metabolomic and microbial profiling in combination with multivariate analysis we characterized the colonization dynamics and liver metabolism in the murine gastrointestinal tract (n=6-10 per age group). We observed major age-dependent microbial and metabolic changes and identified bile acids as potent drivers of the early intestinal microbiota maturation. Consistently, oral administration of tauro-cholic acid or β-tauro-murocholic acid to newborn mice (n= 7-14 per group) accelerated postnatal microbiota maturation.","INSTITUTE":"Helmholtz Centre for Environmental Research - UFZ","LAST_NAME":"Haange","FIRST_NAME":"Sven","ADDRESS":"Permoserstrasse 1, Leipzig, Saxony, 04318, Germany","EMAIL":"sven.haange@ufz.de","PHONE":"0049 341 2351099"},

"STUDY":{"STUDY_TITLE":"Quantitative bile acids study on total murine liver tissue from mice at different age","STUDY_TYPE":"Liver tissue/Primary tissue","STUDY_SUMMARY":"Bile acids in total liver tissue from healthy C57BL/6 mice at 1, 7, 14, 21, 28 and 56 day after birth was analyzed.","INSTITUTE":"Helmholtz Centre for Environmental Research - UFZ","DEPARTMENT":"Department of Molecular Systems biology","LABORATORY":"Functional Metabolomics","LAST_NAME":"Rolle-Kampczyk","FIRST_NAME":"Ulrike","ADDRESS":"Permoserstrasse 15, 04318 Leipzig, Germany","EMAIL":"ulrike.rolle-kampczyk@ufz.de","PHONE":"0049 341 235 1537"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"L_K9D1",
"Factors":{"Day after birth":"1"},
"Additional sample data":{"Litter":"9","RAW_FILE_NAME":"L_K9D1.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"L_K10D1",
"Factors":{"Day after birth":"1"},
"Additional sample data":{"Litter":"10","RAW_FILE_NAME":"L_K10D1.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"L_K7D7",
"Factors":{"Day after birth":"7"},
"Additional sample data":{"Litter":"7","RAW_FILE_NAME":"L_K7D7.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"L_K8D7",
"Factors":{"Day after birth":"7"},
"Additional sample data":{"Litter":"8","RAW_FILE_NAME":"L_K8D7.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"L_K9D7",
"Factors":{"Day after birth":"7"},
"Additional sample data":{"Litter":"9","RAW_FILE_NAME":"L_K9D7.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"L_K10D7",
"Factors":{"Day after birth":"7"},
"Additional sample data":{"Litter":"10","RAW_FILE_NAME":"L_K10D7.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"L_K11D7",
"Factors":{"Day after birth":"7"},
"Additional sample data":{"Litter":"11","RAW_FILE_NAME":"L_K11D7.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"L_K7D14",
"Factors":{"Day after birth":"14"},
"Additional sample data":{"Litter":"7","RAW_FILE_NAME":"L_K7D14.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"L_K8D14",
"Factors":{"Day after birth":"14"},
"Additional sample data":{"Litter":"8","RAW_FILE_NAME":"L_K8D14.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"L_K9D14",
"Factors":{"Day after birth":"14"},
"Additional sample data":{"Litter":"9","RAW_FILE_NAME":"L_K9D14.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"L_K10D14",
"Factors":{"Day after birth":"14"},
"Additional sample data":{"Litter":"10","RAW_FILE_NAME":"L_K10D14.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"L_K11D14",
"Factors":{"Day after birth":"14"},
"Additional sample data":{"Litter":"11","RAW_FILE_NAME":"L_K11D14.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"L_K7D21",
"Factors":{"Day after birth":"21"},
"Additional sample data":{"Litter":"7","RAW_FILE_NAME":"L_K7D21.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"L_K8D21",
"Factors":{"Day after birth":"21"},
"Additional sample data":{"Litter":"8","RAW_FILE_NAME":"L_K8D21.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"L_K9D21",
"Factors":{"Day after birth":"21"},
"Additional sample data":{"Litter":"9","RAW_FILE_NAME":"L_K9D21.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"L_K10D21",
"Factors":{"Day after birth":"21"},
"Additional sample data":{"Litter":"10","RAW_FILE_NAME":"L_K10D21.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"L_K11D21",
"Factors":{"Day after birth":"21"},
"Additional sample data":{"Litter":"11","RAW_FILE_NAME":"L_K11D21.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"L_K7D28",
"Factors":{"Day after birth":"28"},
"Additional sample data":{"Litter":"7","RAW_FILE_NAME":"L_K7D28.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"L_K8D28",
"Factors":{"Day after birth":"28"},
"Additional sample data":{"Litter":"8","RAW_FILE_NAME":"L_K8D28.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"L_K9D28",
"Factors":{"Day after birth":"28"},
"Additional sample data":{"Litter":"9","RAW_FILE_NAME":"L_K9D28.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"L_K10D28",
"Factors":{"Day after birth":"28"},
"Additional sample data":{"Litter":"10","RAW_FILE_NAME":"L_K10D28.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"L_K11D28",
"Factors":{"Day after birth":"28"},
"Additional sample data":{"Litter":"11","RAW_FILE_NAME":"L_K11D28.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"L_K7D56",
"Factors":{"Day after birth":"56"},
"Additional sample data":{"Litter":"7","RAW_FILE_NAME":"L_K7D56.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"L_K8D56",
"Factors":{"Day after birth":"56"},
"Additional sample data":{"Litter":"8","RAW_FILE_NAME":"L_K8D56.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"L_K9D56",
"Factors":{"Day after birth":"56"},
"Additional sample data":{"Litter":"9","RAW_FILE_NAME":"L_K9D56.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"L_K10D56",
"Factors":{"Day after birth":"56"},
"Additional sample data":{"Litter":"10","RAW_FILE_NAME":"L_K10D56.wiff"}
},
{
"Subject ID":"-",
"Sample ID":"L_K11D56",
"Factors":{"Day after birth":"56"},
"Additional sample data":{"Litter":"11","RAW_FILE_NAME":"L_K11D56.wiff"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Animals were sacrificed and the liver tissue was removed, snap frozen in liquid nitrogen and stored at -80°C until further analysis","SAMPLE_TYPE":"Liver"},

"TREATMENT":{"TREATMENT_SUMMARY":"All C57BL6J wildtype mice were bred locally and held under specific pathogen-free conditions at the Institute of Laboratory Animal Science at RWTH Aachen University Hospital. The day of birth was considered day 0, i.e. animals screened at day 1 were approximately 24 h old and verified to have ingested breast milk (abdominal milk spot). Mice were weaned at PND21."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Solvents: Acetonitril (Merck KGaA, Darmstadt, Germany hypergrade for LC-MS) Water MiliQ, Extracting agent - ACN / H2O (1:1) Equipment 4 steel balls size M Eppendorf Tubes 2mL Tissue slicer (Rettberg, Germany) Centrifuge (Sigma) Work steps To approximately 100 mg of sample four steel balls of size M rae added in Eppendorf tubes. Then add for each mg of sample 5 µL of extracting agent. Shake the samples for 10 minutes at 30 Hz in the tissue slicer and centrifuge for 2 minutes at 14000 rpm. The supernatant is used for targeted analytics as described in the kit manufactures manual. Kit measurement The analysis was performed using the validated Bile Acid Kit (Biocrates Life Sciences, Inssbruck, Austria) as described in Pham et al. 2017 [1]. Data processing is carried out with the provided quantitation method Kit (Biocrates Life Sciences AG, Innsbruck, Austria). 1 Pham HT, Arnhard K, Asad YJ, Deng L, Felder TK, St John-Williams L, et al. Inter-Laboratory Robustness of Next-Generation Bile Acid Study in Mice and Humans: International Ring Trial Involving 12 Laboratories. The Journal of Applied Laboratory Medicine 2019;1:129-42."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"UPLC (Waters Acquity, Waters Corporation, Milford, USA)","COLUMN_NAME":"none"},

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

"MS":{"INSTRUMENT_NAME":"ABI Sciex 5500 QTrap","INSTRUMENT_TYPE":"Triple quadrupole","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"Analyst version 1.6 Software from SCIEX. For Validation METIDQ Software version Boron from Biocrates"},

"MS_METABOLITE_DATA":{
"Units":"µM",

"Data":[{"Metabolite":"Cholic Acid","L_K9D1":"0.007541899","L_K10D1":"0.003636364","L_K7D7":"0.004019769","L_K8D7":"0.003741935","L_K9D7":"0.004700974","L_K10D7":"0.003605016","L_K11D7":"0.001565996","L_K7D14":"0.001710376","L_K8D14":"0.001551584","L_K9D14":"0.001843972","L_K10D14":"0.001844262","L_K11D14":"0.003228553","L_K7D21":"0.0004375","L_K8D21":"0.001105207","L_K9D21":"0.000754717","L_K10D21":"0.007213579","L_K11D21":"0.002618557","L_K7D28":"0.003275942","L_K8D28":"0.006813417","L_K9D28":"0.007401247","L_K10D28":"0.003425016","L_K11D28":"0.004799768","L_K7D56":"0.002642783","L_K8D56":"0.001691109","L_K9D56":"0.00190372","L_K10D56":"0.004055767","L_K11D56":"0.039579968"},{"Metabolite":"Chenodeoxycholic Acid","L_K9D1":"0.00175","L_K10D1":"0.001625","L_K7D7":"0.001875","L_K8D7":"0.002125","L_K9D7":"0.0025","L_K10D7":"0.00225","L_K11D7":"0.000875","L_K7D14":"0.002125","L_K8D14":"0.002625","L_K9D14":"0.001875","L_K10D14":"0.002375","L_K11D14":"0.0025","L_K7D21":"0.0015","L_K8D21":"0.003375","L_K9D21":"0.002875","L_K10D21":"0.006375","L_K11D21":"0.005625","L_K7D28":"0.002","L_K8D28":"0.004875","L_K9D28":"0.003125","L_K10D28":"0.004","L_K11D28":"0.002375","L_K7D56":"0.003","L_K8D56":"0.001125","L_K9D56":"0.0035","L_K10D56":"0.0045","L_K11D56":"0.012875"},{"Metabolite":"Deoxycholic Acid","L_K9D1":"0.000726257","L_K10D1":"0.000438871","L_K7D7":"0.000313015","L_K8D7":"0.000156682","L_K9D7":"0.000222531","L_K10D7":"0.000297806","L_K11D7":"0.000380313","L_K7D14":"0.000148233","L_K8D14":"0.000121852","L_K9D14":"0.000248227","L_K10D14":"0.000114754","L_K11D14":"0.000117878","L_K7D21":"0.00009375","L_K8D21":"7.44E-05","L_K9D21":"0.000210243","L_K10D21":"0.00029703","L_K11D21":"0.000103093","L_K7D28":"0.000130293","L_K8D28":"0.000162474","L_K9D28":"0.000120582","L_K10D28":"0.000150622","L_K11D28":"8.13E-05","L_K7D56":"0.000129803","L_K8D56":"7.79E-05","L_K9D56":"0.000153173","L_K10D56":"0.000215463","L_K11D56":"0.001195477"},{"Metabolite":"Glcyocholic Acid","L_K9D1":"0.000726257","L_K10D1":"9.40E-05","L_K7D7":"0","L_K8D7":"1.84E-05","L_K9D7":"0.000305981","L_K10D7":"3.13E-05","L_K11D7":"0","L_K7D14":"0.000114025","L_K8D14":"0","L_K9D14":"0","L_K10D14":"0","L_K11D14":"1.31E-05","L_K7D21":"0.000416667","L_K8D21":"0.00088204","L_K9D21":"0.000242588","L_K10D21":"0.002057992","L_K11D21":"0.000810997","L_K7D28":"0.00023732","L_K8D28":"0.001278826","L_K9D28":"0.000640333","L_K10D28":"0.000641781","L_K11D28":"0.000829948","L_K7D56":"0.000145379","L_K8D56":"4.58E-05","L_K9D56":"0.000166302","L_K10D56":"0.000564005","L_K11D56":"0.000726979"},{"Metabolite":"Glycochenodeoxycholic Acid","L_K9D1":"0.000558659","L_K10D1":"0.000219436","L_K7D7":"0.000115321","L_K8D7":"6.45E-05","L_K9D7":"9.74E-05","L_K10D7":"0.000109718","L_K11D7":"0.000178971","L_K7D14":"7.98E-05","L_K8D14":"5.69E-05","L_K9D14":"0.000124113","L_K10D14":"5.74E-05","L_K11D14":"4.58E-05","L_K7D21":"0.000046875","L_K8D21":"4.78E-05","L_K9D21":"5.39E-05","L_K10D21":"6.36E-05","L_K11D21":"8.93E-05","L_K7D28":"3.26E-05","L_K8D28":"3.67E-05","L_K9D28":"2.91E-05","L_K10D28":"4.58E-05","L_K11D28":"4.64E-05","L_K7D56":"3.63E-05","L_K8D56":"3.21E-05","L_K9D56":"3.50E-05","L_K10D56":"5.70E-05","L_K11D56":"4.31E-05"},{"Metabolite":"Glycodeoxycholic Acid","L_K9D1":"0","L_K10D1":"0","L_K7D7":"0","L_K8D7":"0","L_K9D7":"0","L_K10D7":"0","L_K11D7":"0","L_K7D14":"0","L_K8D14":"0","L_K9D14":"0","L_K10D14":"0","L_K11D14":"0","L_K7D21":"0","L_K8D21":"0","L_K9D21":"0","L_K10D21":"0","L_K11D21":"0","L_K7D28":"9.31E-06","L_K8D28":"6.81E-05","L_K9D28":"0","L_K10D28":"0","L_K11D28":"0","L_K7D56":"1.04E-05","L_K8D56":"0","L_K9D56":"4.38E-06","L_K10D56":"3.17E-05","L_K11D56":"3.23E-05"},{"Metabolite":"Glycolithocholic Acid","L_K9D1":"0","L_K10D1":"0","L_K7D7":"1.65E-05","L_K8D7":"0","L_K9D7":"0","L_K10D7":"0","L_K11D7":"0","L_K7D14":"0","L_K8D14":"0","L_K9D14":"0","L_K10D14":"0","L_K11D14":"0","L_K7D21":"0","L_K8D21":"0","L_K9D21":"0","L_K10D21":"0","L_K11D21":"0","L_K7D28":"0","L_K8D28":"0","L_K9D28":"0","L_K10D28":"0","L_K11D28":"0","L_K7D56":"0","L_K8D56":"0","L_K9D56":"0","L_K10D56":"0","L_K11D56":"0"},{"Metabolite":"Glycoursodeoxycholic Acid","L_K9D1":"0","L_K10D1":"0","L_K7D7":"0","L_K8D7":"0","L_K9D7":"0","L_K10D7":"0","L_K11D7":"0","L_K7D14":"1.14E-05","L_K8D14":"0","L_K9D14":"0","L_K10D14":"8.20E-06","L_K11D14":"0","L_K7D21":"2.60E-05","L_K8D21":"2.66E-05","L_K9D21":"2.70E-05","L_K10D21":"5.66E-05","L_K11D21":"6.19E-05","L_K7D28":"4.65E-06","L_K8D28":"2.62E-05","L_K9D28":"4.16E-06","L_K10D28":"6.55E-06","L_K11D28":"2.32E-05","L_K7D56":"5.19E-06","L_K8D56":"4.58E-06","L_K9D56":"8.75E-06","L_K10D56":"1.90E-05","L_K11D56":"0"},{"Metabolite":"Hyodeoxycholic Acid","L_K9D1":"0.000335196","L_K10D1":"0.000188088","L_K7D7":"0.000214168","L_K8D7":"0.000147465","L_K9D7":"0.000236439","L_K10D7":"0.000203762","L_K11D7":"0.000201342","L_K7D14":"6.84E-05","L_K8D14":"4.06E-05","L_K9D14":"0.000106383","L_K10D14":"4.92E-05","L_K11D14":"6.55E-05","L_K7D21":"6.77E-05","L_K8D21":"0.00021254","L_K9D21":"0.000264151","L_K10D21":"0.001407355","L_K11D21":"2.75E-05","L_K7D28":"0.000544439","L_K8D28":"0.001100629","L_K9D28":"0.000465696","L_K10D28":"0.000235756","L_K11D28":"0.000481718","L_K7D56":"0.000539979","L_K8D56":"0.000288726","L_K9D56":"0.000809628","L_K10D56":"0.000633714","L_K11D56":"0.000813139"},{"Metabolite":"Lithocholic Acid","L_K9D1":"0","L_K10D1":"0","L_K7D7":"0","L_K8D7":"0","L_K9D7":"0","L_K10D7":"0","L_K11D7":"0","L_K7D14":"0","L_K8D14":"0","L_K9D14":"0","L_K10D14":"0","L_K11D14":"0","L_K7D21":"0","L_K8D21":"0","L_K9D21":"0.000921833","L_K10D21":"0.000190948","L_K11D21":"0","L_K7D28":"0","L_K8D28":"0.000214885","L_K9D28":"0","L_K10D28":"0","L_K11D28":"9.87E-05","L_K7D56":"0","L_K8D56":"0","L_K9D56":"0","L_K10D56":"0","L_K11D56":"0"},{"Metabolite":"a-Muricholic Acid","L_K9D1":"0.003463687","L_K10D1":"0.001943574","L_K7D7":"0.002965404","L_K8D7":"0.002064516","L_K9D7":"0.00201669","L_K10D7":"0.002852665","L_K11D7":"0.001230425","L_K7D14":"0.001664766","L_K8D14":"0.001356621","L_K9D14":"0.00070922","L_K10D14":"0.001098361","L_K11D14":"0.002003929","L_K7D21":"0.000640625","L_K8D21":"0.002008502","L_K9D21":"0.001148248","L_K10D21":"0.005636492","L_K11D21":"0.005285223","L_K7D28":"0.001596091","L_K8D28":"0.003647799","L_K9D28":"0.001197505","L_K10D28":"0.002632613","L_K11D28":"0.001828207","L_K7D56":"0.002009346","L_K8D56":"0.000756187","L_K9D56":"0.002175055","L_K10D56":"0.003105196","L_K11D56":"0.004270328"},{"Metabolite":"b-Muricholic Acid","L_K9D1":"0.020558659","L_K10D1":"0.017084639","L_K7D7":"0.054859967","L_K8D7":"0.041474654","L_K9D7":"0.053963839","L_K10D7":"0.045611285","L_K11D7":"0.031543624","L_K7D14":"0.04686431","L_K8D14":"0.046872461","L_K9D14":"0.041312057","L_K10D14":"0.03852459","L_K11D14":"0.048395547","L_K7D21":"0.004307292","L_K8D21":"0.017587673","L_K9D21":"0.019730458","L_K10D21":"0.053182461","L_K11D21":"0.065498282","L_K7D28":"0.011865984","L_K8D28":"0.039832285","L_K9D28":"0.024781705","L_K10D28":"0.033529797","L_K11D28":"0.039988392","L_K7D56":"0.012097612","L_K8D56":"0.007882676","L_K9D56":"0.014179431","L_K10D56":"0.028580482","L_K11D56":"0.029617663"},{"Metabolite":"o-Muricholic 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"Metabolites":[{"Metabolite":"Cholic Acid","KEGG ID":"C00695"},{"Metabolite":"Chenodeoxycholic Acid","KEGG ID":"C02528"},{"Metabolite":"Deoxycholic Acid","KEGG ID":"C04483"},{"Metabolite":"Glcyocholic Acid","KEGG ID":"C01921"},{"Metabolite":"Glycochenodeoxycholic Acid","KEGG ID":"C05466"},{"Metabolite":"Glycodeoxycholic Acid","KEGG ID":"C05464"},{"Metabolite":"Glycolithocholic Acid","KEGG ID":"C15557"},{"Metabolite":"Glycoursodeoxycholic Acid","KEGG ID":"-"},{"Metabolite":"Hyodeoxycholic Acid","KEGG ID":"C15517"},{"Metabolite":"Lithocholic Acid","KEGG ID":"C03990"},{"Metabolite":"a-Muricholic Acid","KEGG ID":"C17647"},{"Metabolite":"b-Muricholic Acid","KEGG ID":"C17726"},{"Metabolite":"o-Muricholic Acid","KEGG ID":"C17727"},{"Metabolite":"Taurocholic Acid","KEGG ID":"C02258"},{"Metabolite":"Taurochenodeoxycholic Acid","KEGG ID":"C05465"},{"Metabolite":"Taurodeoxycholic Acid","KEGG ID":"C05463"},{"Metabolite":"Taurolithocholic Acid","KEGG ID":"C02592"},{"Metabolite":"Tauromuricholic Acid","KEGG ID":"-"},{"Metabolite":"Tauroursodeoxycholic Acid","KEGG ID":"C16868"},{"Metabolite":"Ursodeoxycholic Acid","KEGG ID":"C07880"}]
}

}