{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002100","ANALYSIS_ID":"AN003433","VERSION":"1","CREATED_ON":"March 10, 2022, 7:03 am"},

"PROJECT":{"PROJECT_TITLE":"Functional metabolomics-based molecular profiling of acute and chronic hepatitis","PROJECT_TYPE":"Targeted MS quantitative analysis","PROJECT_SUMMARY":"Characteristics of human serum metabolomics in acute and chronic hepatitis","INSTITUTE":"Shanghai Center for Systems Biomedicine, Shanghai Jiaotong University","DEPARTMENT":"Shanghai Center for Systems Biomedicine","LABORATORY":"Lu Group","LAST_NAME":"Lu","FIRST_NAME":"Haitao","ADDRESS":"800 Dongchuan RD. Minhang District, Shanghai, Shanghai, 200240, China","EMAIL":"haitao_lu@sjtu.edu.cn","PHONE":"15221478139"},

"STUDY":{"STUDY_TITLE":"Functional metabolomics-based molecular profiling of acute and chronic hepatitis (Human Serum Metabolomics)","STUDY_SUMMARY":"Non-alcoholic steatohepatitis (NASH) is a metabolic dysregulation triggered by an overload disrupting the hepatic tolerance to external molecules. With the complexity and diversity of hepatitis triggers, no effective clinical classification and treatment are available, and even using the same strategies or approaches for acute and chronic hepatitis. For us, it is really difficult to precisely diagnose and treat hepatitis accordingly. To overcome this challenge, we integrated metabolomic, lipidomics, transcriptomics and other life science frontier technologies for functional metabolomics studies, and pioneered the redefinition of hepatitis at the molecular level. Our findings suggested that acute hepatitis mainly interferes with purine metabolism and amino acids metabolism, while chronic hepatitis mainly causes disruption of hepatic bile acids and lipidome, especially glycerolipids. Based on the liver-gut axis, we also found that the metabolic regulation of the gut microbiota is another key factor for chronic hepatitis development. In conclusion, functional metabolomics enables the cognition of disease occurrence, development and regression from small molecule metabolic modifications and modulations, realizing the ultimate goal of treating diseases and improving population health through regulation of dysregulated metabolism","INSTITUTE":"Shanghai Center for Systems Biomedicine, Shanghai Jiaotong University","DEPARTMENT":"Shanghai Center for Systems Biomedicine","LABORATORY":"Lu Group","LAST_NAME":"Lu","FIRST_NAME":"Haitao","ADDRESS":"800 Dongchuan RD. Minhang District, Shanghai, Shanghai, 200240, China","EMAIL":"haitao_lu@sjtu.edu.cn","PHONE":"15221478139"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"20220124-HC-94",
"Factors":{"Treatment":"Healthy"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HC-95",
"Factors":{"Treatment":"Healthy"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HC-97",
"Factors":{"Treatment":"Healthy"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HC-98",
"Factors":{"Treatment":"Healthy"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HC-99",
"Factors":{"Treatment":"Healthy"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HC-100",
"Factors":{"Treatment":"Healthy"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HC-101",
"Factors":{"Treatment":"Healthy"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HC-102",
"Factors":{"Treatment":"Healthy"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HC-103",
"Factors":{"Treatment":"Healthy"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HC-104",
"Factors":{"Treatment":"Healthy"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HC-105",
"Factors":{"Treatment":"Healthy"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HC-106",
"Factors":{"Treatment":"Healthy"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HC-107",
"Factors":{"Treatment":"Healthy"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HC-108",
"Factors":{"Treatment":"Healthy"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HC-112",
"Factors":{"Treatment":"Healthy"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HC-149",
"Factors":{"Treatment":"Healthy"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HC-150",
"Factors":{"Treatment":"Healthy"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-5",
"Factors":{"Treatment":"Acute hepatitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-6",
"Factors":{"Treatment":"Acute hepatitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-34",
"Factors":{"Treatment":"Acute hepatitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-44",
"Factors":{"Treatment":"Acute hepatitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-45",
"Factors":{"Treatment":"Acute hepatitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-52",
"Factors":{"Treatment":"Acute hepatitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-75",
"Factors":{"Treatment":"Acute hepatitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-87",
"Factors":{"Treatment":"Acute hepatitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-90",
"Factors":{"Treatment":"Acute hepatitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-95",
"Factors":{"Treatment":"Acute hepatitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-105",
"Factors":{"Treatment":"Acute hepatitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-157",
"Factors":{"Treatment":"Acute hepatitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-164",
"Factors":{"Treatment":"Acute hepatitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-176",
"Factors":{"Treatment":"Acute hepatitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-180",
"Factors":{"Treatment":"Acute hepatitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-187",
"Factors":{"Treatment":"Acute hepatitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-188",
"Factors":{"Treatment":"Acute hepatitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-239",
"Factors":{"Treatment":"Acute hepatitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-253",
"Factors":{"Treatment":"Acute hepatitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-272",
"Factors":{"Treatment":"Acute hepatitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-1",
"Factors":{"Treatment":"Chronic hepratitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-7",
"Factors":{"Treatment":"Chronic hepratitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-9",
"Factors":{"Treatment":"Chronic hepratitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-11",
"Factors":{"Treatment":"Chronic hepratitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-15",
"Factors":{"Treatment":"Chronic hepratitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-16",
"Factors":{"Treatment":"Chronic hepratitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-17",
"Factors":{"Treatment":"Chronic hepratitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-18",
"Factors":{"Treatment":"Chronic hepratitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-19",
"Factors":{"Treatment":"Chronic hepratitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-21",
"Factors":{"Treatment":"Chronic hepratitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-22",
"Factors":{"Treatment":"Chronic hepratitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-23",
"Factors":{"Treatment":"Chronic hepratitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-26",
"Factors":{"Treatment":"Chronic hepratitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-29",
"Factors":{"Treatment":"Chronic hepratitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-30",
"Factors":{"Treatment":"Chronic hepratitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-36",
"Factors":{"Treatment":"Chronic hepratitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-41",
"Factors":{"Treatment":"Chronic hepratitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-46",
"Factors":{"Treatment":"Chronic hepratitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-56",
"Factors":{"Treatment":"Chronic hepratitis"}
},
{
"Subject ID":"-",
"Sample ID":"20220124-HS-66",
"Factors":{"Treatment":"Chronic hepratitis"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"All peripheral venous blood was collected in tube with EDTA-anticoagulant. After centrifugation the serum samples were collected and stored at -80°C before use.","SAMPLE_TYPE":"Serum"},

"TREATMENT":{"TREATMENT_SUMMARY":"Three groups of serum samples were collected from Eastern Hepatobiliary Surgery Hospital including 17 healthy controls, 20 with acute hepatitis and 20 with chronic hepatitis (HBV). They were all enrolled in this study with the patients' consent and the sampling process was strictly consistent with the ethics committee of the Eastern Hepatobiliary Surgical Hospital."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Serum samples were mixed with 4 volumes of acetonitrile, which contains 0.001 mg/mL internal standard 4-chloro-DL-phenylalanine, to precipitate the proteins. After brief vortex mixing, the samples were incubated on ice for 15 min. The supernatants were collected after centrifuged at 20,000 g, 4 °C for 10 min, transferred to vials for LC-MS analysis."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"In this study, a newly developed precision-targeted metabolomics method with a UPLC-TQ/MS system (Agilent 1290 Infnity, Agilent Technologies, USA; Agilent 6495 QQQ, Agilent Technologies, USA) in a DMRM scan-mode was applied to analyze the metabolome of interest from trial samples (serum, liver tissues and stool). Briefly, the method was performed with an ACQUITY UPLC HSS T3 column (2.1 mm i.d. × 100 mm, 1.8 μm; Waters); mobile phase A and B were water and acetonitrile with 0.1% formic acid (v/v) respectively. The flow rate was at 0.3 mL/min and the column temperature was maintained at 40 ℃. The samples were placed in an auto-sampler maintained at 4 °C with a 5 μL injection volume. The optimized gradient-elution program, as follows: 0-2 min, 98% A; 2-10 min, 98-65% A; 10-12 min, 65-20% A; 12-14 min, 20-2% A; 14-30 min, 2% A.","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Agilent 1290 Infinity","COLUMN_NAME":"ACQUITY UPLC HSS T3 column (2.1 mm i.d. × 100 mm, 1.8 μm; Waters)"},

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

"MS":{"INSTRUMENT_NAME":"Agilent 6495 QQQ","INSTRUMENT_TYPE":"Triple quadrupole","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"Agilent MassHunter Workstation Data Acquisition Agilent MassHunter"},

"MS_METABOLITE_DATA":{
"Units":"counts",

"Data":[{"Metabolite":"Citrate","20220124-HC-94":"924.3839564","20220124-HC-95":"461.8869405","20220124-HC-97":"307.6491405","20220124-HC-98":"475.1005286","20220124-HC-99":"338.9017244","20220124-HC-100":"229.8036779","20220124-HC-101":"269.7262642","20220124-HC-102":"1368.703085","20220124-HC-103":"69.39708175","20220124-HC-104":"1617.32006","20220124-HC-105":"1320.806409","20220124-HC-106":"970.4022793","20220124-HC-107":"1348.504635","20220124-HC-108":"2823.911826","20220124-HC-112":"1029.565354","20220124-HC-149":"2558.415308","20220124-HC-150":"3459.837327","20220124-HS-5":"7294.759926","20220124-HS-6":"4012.951861","20220124-HS-34":"9070.002464","20220124-HS-44":"6132.688266","20220124-HS-45":"4132.678941","20220124-HS-52":"2732.874967","20220124-HS-75":"1653.156004","20220124-HS-87":"8704.973467","20220124-HS-90":"10457.75265","20220124-HS-95":"4667.893669","20220124-HS-105":"11085.09133","20220124-HS-157":"10795.86184","20220124-HS-164":"1661.427753","20220124-HS-176":"2163.190961","20220124-HS-180":"4800.056113","20220124-HS-187":"2787.189339","20220124-HS-188":"3393.820916","20220124-HS-239":"1791.429586","20220124-HS-253":"597.3132863","20220124-HS-272":"2940.395249","20220124-HS-1":"3638.935039","20220124-HS-7":"9240.967379","20220124-HS-9":"8462.503951","20220124-HS-11":"10070.3879","20220124-HS-15":"7996.779718","20220124-HS-16":"18895.33779","20220124-HS-17":"8060.379693","20220124-HS-18":"13717.71225","20220124-HS-19":"7927.771497","20220124-HS-21":"14267.52684","20220124-HS-22":"8180.400422","20220124-HS-23":"4945.568078","20220124-HS-26":"11182.76706","20220124-HS-29":"9294.332216","20220124-HS-30":"17125.23008","20220124-HS-36":"14797.18411","20220124-HS-41":"15189.2788","20220124-HS-46":"2427.726918","20220124-HS-56":"9408.230725","20220124-HS-66":"17035.70041"},{"Metabolite":"Taurochenodeoxycholic acid","20220124-HC-94":"23.48135662","20220124-HC-95":"534.169472","20220124-HC-97":"123.5926467","20220124-HC-98":"155.5656157","20220124-HC-99":"12.04461067","20220124-HC-100":"67.23601878","20220124-HC-101":"70.11270936","20220124-HC-102":"249.9199286","20220124-HC-103":"74.74608443","20220124-HC-104":"49.45028624","20220124-HC-105":"30.4508666","20220124-HC-106":"155.6213277","20220124-HC-107":"11.01303242","20220124-HC-108":"55.42365463","20220124-HC-112":"70.39169315","20220124-HC-149":"91.14690879","20220124-HC-150":"314.4153029","20220124-HS-5":"8452.983472","20220124-HS-6":"15922.05641","20220124-HS-34":"1064.274201","20220124-HS-44":"532.5964446","20220124-HS-45":"17637.09897","20220124-HS-52":"1571.38019","20220124-HS-75":"527.7721938","20220124-HS-87":"10570.83681","20220124-HS-90":"13643.81548","20220124-HS-95":"78.21389867","20220124-HS-105":"22769.00459","20220124-HS-157":"36023.59864","20220124-HS-164":"431.5238029","20220124-HS-176":"31292.28938","20220124-HS-180":"3222.955003","20220124-HS-187":"64.91658768","20220124-HS-188":"13768.73967","20220124-HS-239":"745.7846366","20220124-HS-253":"1803.039069","20220124-HS-272":"516.0870892","20220124-HS-1":"1810.048218","20220124-HS-7":"5534.855876","20220124-HS-9":"7890.679895","20220124-HS-11":"9769.724679","20220124-HS-15":"7907.698792","20220124-HS-16":"17959.82367","20220124-HS-17":"13958.24324","20220124-HS-18":"14505.72104","20220124-HS-19":"1061.135523","20220124-HS-21":"8522.339478","20220124-HS-22":"5763.60161","20220124-HS-23":"8224.62662","20220124-HS-26":"349.1137949","20220124-HS-29":"1104.217478","20220124-HS-30":"4313.003324","20220124-HS-36":"2098.694776","20220124-HS-41":"5792.351316","20220124-HS-46":"934.4156109","20220124-HS-56":"122.7689337","20220124-HS-66":"3109.988251"},{"Metabolite":"Glycocholic 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}

}