{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002943","ANALYSIS_ID":"AN004828","VERSION":"1","CREATED_ON":"October 25, 2023, 5:01 pm"},

"PROJECT":{"PROJECT_TITLE":"Targeted analyses of microbial metabolism for the XMaS clinical trial","PROJECT_SUMMARY":"The Xanthohumol microbiome and signature (XMaS) study in healthy adults was a phase I, triple-masked, placebo-controlled clinical trial in healthy adults investigating effects of a natural product supplement of gut microbiome composition and metabolism. Xanthohumol, a flavonoid from the hops plant or placebo was administered to 27 healthy adults daily for eight weeks. Fecal, plasma, and 24-hr urine collections were obtained from participants at baseline and 2-week intervals. The main objective was to examine clinical safety and subjective tolerability of xanthohumol compared to placebo. Additional aims were to monitor biomarkers of inflammation, gut permeability, bile acid metabolism, short-chain fatty acids, and metabolism of xanthohumol.","INSTITUTE":"Oregon State University","LAST_NAME":"Jamieson","FIRST_NAME":"Paige","ADDRESS":"307 LINUS PAULING SCIENCE CTR","EMAIL":"jamiesop@oregonstate.edu","PHONE":"5417379804"},

"STUDY":{"STUDY_TITLE":"Targeted bile acid analysis for the XMaS trial.","STUDY_SUMMARY":"The Xanthohumol microbiome and signature (XMaS) study in healthy adults was a phase I, triple-masked, placebo-controlled clinical trial in healthy adults investigating effects of a natural product supplement of gut microbiome composition and metabolism. Xanthohumol, a flavonoid from the hops plant or placebo was administered to 27 healthy adults daily for eight weeks. Fecal, plasma, and 24-hr urine collections were obtained from participants at baseline and 2-week intervals. The main objective of this study was to quantify fecal bile acids from participants from the XMaS study.","INSTITUTE":"Oregon State University","LAST_NAME":"Jamieson","FIRST_NAME":"Paige","ADDRESS":"307 LINUS PAULING SCIENCE CTR","EMAIL":"jamiesop@oregonstate.edu","PHONE":"5417379804"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"XMaS101",
"Sample ID":"s101-1",
"Factors":{"time_weeks":"0","intervention":"treated"}
},
{
"Subject ID":"XMaS101",
"Sample ID":"s101-2",
"Factors":{"time_weeks":"2","intervention":"treated"}
},
{
"Subject ID":"XMaS101",
"Sample ID":"s101-3",
"Factors":{"time_weeks":"4","intervention":"treated"}
},
{
"Subject ID":"XMaS101",
"Sample ID":"s101-4",
"Factors":{"time_weeks":"6","intervention":"treated"}
},
{
"Subject ID":"XMaS101",
"Sample ID":"s101-5",
"Factors":{"time_weeks":"8","intervention":"treated"}
},
{
"Subject ID":"XMaS102",
"Sample ID":"s102-1",
"Factors":{"time_weeks":"0","intervention":"treated"}
},
{
"Subject ID":"XMaS102",
"Sample ID":"s102-2",
"Factors":{"time_weeks":"2","intervention":"treated"}
},
{
"Subject ID":"XMaS102",
"Sample ID":"s102-3",
"Factors":{"time_weeks":"4","intervention":"treated"}
},
{
"Subject ID":"XMaS102",
"Sample ID":"s102-4",
"Factors":{"time_weeks":"6","intervention":"treated"}
},
{
"Subject ID":"XMaS102",
"Sample ID":"s102-5",
"Factors":{"time_weeks":"8","intervention":"treated"}
},
{
"Subject ID":"XMaS103",
"Sample ID":"s103-1",
"Factors":{"time_weeks":"0","intervention":"treated"}
},
{
"Subject ID":"XMaS103",
"Sample ID":"s103-2",
"Factors":{"time_weeks":"2","intervention":"treated"}
},
{
"Subject ID":"XMaS103",
"Sample ID":"s103-3",
"Factors":{"time_weeks":"4","intervention":"treated"}
},
{
"Subject ID":"XMaS103",
"Sample ID":"s103-4",
"Factors":{"time_weeks":"6","intervention":"treated"}
},
{
"Subject ID":"XMaS103",
"Sample ID":"s103-5",
"Factors":{"time_weeks":"8","intervention":"treated"}
},
{
"Subject ID":"XMaS104",
"Sample ID":"s104-1",
"Factors":{"time_weeks":"0","intervention":"control"}
},
{
"Subject ID":"XMaS104",
"Sample ID":"s104-2",
"Factors":{"time_weeks":"2","intervention":"control"}
},
{
"Subject ID":"XMaS104",
"Sample ID":"s104-3",
"Factors":{"time_weeks":"4","intervention":"control"}
},
{
"Subject ID":"XMaS104",
"Sample ID":"s104-4",
"Factors":{"time_weeks":"6","intervention":"control"}
},
{
"Subject ID":"XMaS104",
"Sample ID":"s104-5",
"Factors":{"time_weeks":"8","intervention":"control"}
},
{
"Subject ID":"XMaS105",
"Sample ID":"s105-1",
"Factors":{"time_weeks":"0","intervention":"treated"}
},
{
"Subject ID":"XMaS105",
"Sample ID":"s105-2",
"Factors":{"time_weeks":"2","intervention":"treated"}
},
{
"Subject ID":"XMaS105",
"Sample ID":"s105-3",
"Factors":{"time_weeks":"4","intervention":"treated"}
},
{
"Subject ID":"XMaS105",
"Sample ID":"s105-4",
"Factors":{"time_weeks":"6","intervention":"treated"}
},
{
"Subject ID":"XMaS105",
"Sample ID":"s105-5",
"Factors":{"time_weeks":"8","intervention":"treated"}
},
{
"Subject ID":"XMaS106",
"Sample ID":"s106-1",
"Factors":{"time_weeks":"0","intervention":"control"}
},
{
"Subject ID":"XMaS106",
"Sample ID":"s106-2",
"Factors":{"time_weeks":"2","intervention":"control"}
},
{
"Subject ID":"XMaS106",
"Sample ID":"s106-3",
"Factors":{"time_weeks":"4","intervention":"control"}
},
{
"Subject ID":"XMaS106",
"Sample ID":"s106-4",
"Factors":{"time_weeks":"6","intervention":"control"}
},
{
"Subject ID":"XMaS106",
"Sample ID":"s106-5",
"Factors":{"time_weeks":"8","intervention":"control"}
},
{
"Subject ID":"XMaS107",
"Sample ID":"s107-1",
"Factors":{"time_weeks":"0","intervention":"control"}
},
{
"Subject ID":"XMaS107",
"Sample ID":"s107-2",
"Factors":{"time_weeks":"2","intervention":"control"}
},
{
"Subject ID":"XMaS107",
"Sample ID":"s107-3",
"Factors":{"time_weeks":"4","intervention":"control"}
},
{
"Subject ID":"XMaS107",
"Sample ID":"s107-4",
"Factors":{"time_weeks":"6","intervention":"control"}
},
{
"Subject ID":"XMaS107",
"Sample ID":"s107-5",
"Factors":{"time_weeks":"8","intervention":"control"}
},
{
"Subject ID":"XMaS109",
"Sample ID":"s109-1",
"Factors":{"time_weeks":"0","intervention":"control"}
},
{
"Subject ID":"XMaS109",
"Sample ID":"s109-2",
"Factors":{"time_weeks":"2","intervention":"control"}
},
{
"Subject ID":"XMaS109",
"Sample ID":"s109-3",
"Factors":{"time_weeks":"4","intervention":"control"}
},
{
"Subject ID":"XMaS109",
"Sample ID":"s109-4",
"Factors":{"time_weeks":"6","intervention":"control"}
},
{
"Subject ID":"XMaS109",
"Sample ID":"s109-5",
"Factors":{"time_weeks":"8","intervention":"control"}
},
{
"Subject ID":"XMaS110",
"Sample ID":"s110-1",
"Factors":{"time_weeks":"0","intervention":"control"}
},
{
"Subject ID":"XMaS110",
"Sample ID":"s110-2",
"Factors":{"time_weeks":"2","intervention":"control"}
},
{
"Subject ID":"XMaS110",
"Sample ID":"s110-3",
"Factors":{"time_weeks":"4","intervention":"control"}
},
{
"Subject ID":"XMaS110",
"Sample ID":"s110-4",
"Factors":{"time_weeks":"6","intervention":"control"}
},
{
"Subject ID":"XMaS110",
"Sample ID":"s110-5",
"Factors":{"time_weeks":"8","intervention":"control"}
},
{
"Subject ID":"XMaS111",
"Sample ID":"s111-1",
"Factors":{"time_weeks":"0","intervention":"treated"}
},
{
"Subject ID":"XMaS111",
"Sample ID":"s111-2",
"Factors":{"time_weeks":"2","intervention":"treated"}
},
{
"Subject ID":"XMaS111",
"Sample ID":"s111-3",
"Factors":{"time_weeks":"4","intervention":"treated"}
},
{
"Subject ID":"XMaS111",
"Sample ID":"s111-4",
"Factors":{"time_weeks":"6","intervention":"treated"}
},
{
"Subject ID":"XMaS111",
"Sample ID":"s111-5",
"Factors":{"time_weeks":"8","intervention":"treated"}
},
{
"Subject ID":"XMaS112",
"Sample ID":"s112-1",
"Factors":{"time_weeks":"0","intervention":"control"}
},
{
"Subject ID":"XMaS112",
"Sample ID":"s112-2",
"Factors":{"time_weeks":"2","intervention":"control"}
},
{
"Subject ID":"XMaS112",
"Sample ID":"s112-3",
"Factors":{"time_weeks":"4","intervention":"control"}
},
{
"Subject ID":"XMaS112",
"Sample ID":"s112-4",
"Factors":{"time_weeks":"6","intervention":"control"}
},
{
"Subject ID":"XMaS112",
"Sample ID":"s112-5",
"Factors":{"time_weeks":"8","intervention":"control"}
},
{
"Subject ID":"XMaS113",
"Sample ID":"s113-1",
"Factors":{"time_weeks":"0","intervention":"treated"}
},
{
"Subject ID":"XMaS113",
"Sample ID":"s113-2",
"Factors":{"time_weeks":"2","intervention":"treated"}
},
{
"Subject ID":"XMaS113",
"Sample ID":"s113-3",
"Factors":{"time_weeks":"4","intervention":"treated"}
},
{
"Subject ID":"XMaS113",
"Sample ID":"s113-4",
"Factors":{"time_weeks":"6","intervention":"treated"}
},
{
"Subject ID":"XMaS113",
"Sample ID":"s113-5",
"Factors":{"time_weeks":"8","intervention":"treated"}
},
{
"Subject ID":"XMaS114",
"Sample ID":"s114-1",
"Factors":{"time_weeks":"0","intervention":"control"}
},
{
"Subject ID":"XMaS114",
"Sample ID":"s114-2",
"Factors":{"time_weeks":"2","intervention":"control"}
},
{
"Subject ID":"XMaS114",
"Sample ID":"s114-3",
"Factors":{"time_weeks":"4","intervention":"control"}
},
{
"Subject ID":"XMaS114",
"Sample ID":"s114-4",
"Factors":{"time_weeks":"6","intervention":"control"}
},
{
"Subject ID":"XMaS114",
"Sample ID":"s114-5",
"Factors":{"time_weeks":"8","intervention":"control"}
},
{
"Subject ID":"XMaS115",
"Sample ID":"s115-1",
"Factors":{"time_weeks":"0","intervention":"treated"}
},
{
"Subject ID":"XMaS115",
"Sample ID":"s115-2",
"Factors":{"time_weeks":"2","intervention":"treated"}
},
{
"Subject ID":"XMaS115",
"Sample ID":"s115-3",
"Factors":{"time_weeks":"4","intervention":"treated"}
},
{
"Subject ID":"XMaS115",
"Sample ID":"s115-4",
"Factors":{"time_weeks":"6","intervention":"treated"}
},
{
"Subject ID":"XMaS115",
"Sample ID":"s115-5",
"Factors":{"time_weeks":"8","intervention":"treated"}
},
{
"Subject ID":"XMaS116",
"Sample ID":"s116-1",
"Factors":{"time_weeks":"0","intervention":"treated"}
},
{
"Subject ID":"XMaS116",
"Sample ID":"s116-2",
"Factors":{"time_weeks":"2","intervention":"treated"}
},
{
"Subject ID":"XMaS116",
"Sample ID":"s116-3",
"Factors":{"time_weeks":"4","intervention":"treated"}
},
{
"Subject ID":"XMaS116",
"Sample ID":"s116-4",
"Factors":{"time_weeks":"6","intervention":"treated"}
},
{
"Subject ID":"XMaS116",
"Sample ID":"s116-5",
"Factors":{"time_weeks":"8","intervention":"treated"}
},
{
"Subject ID":"XMaS117",
"Sample ID":"s117-1",
"Factors":{"time_weeks":"0","intervention":"control"}
},
{
"Subject ID":"XMaS117",
"Sample ID":"s117-2",
"Factors":{"time_weeks":"2","intervention":"control"}
},
{
"Subject ID":"XMaS117",
"Sample ID":"s117-3",
"Factors":{"time_weeks":"4","intervention":"control"}
},
{
"Subject ID":"XMaS117",
"Sample ID":"s117-4",
"Factors":{"time_weeks":"6","intervention":"control"}
},
{
"Subject ID":"XMaS117",
"Sample ID":"s117-5",
"Factors":{"time_weeks":"8","intervention":"control"}
},
{
"Subject ID":"XMaS118",
"Sample ID":"s118-1",
"Factors":{"time_weeks":"0","intervention":"control"}
},
{
"Subject ID":"XMaS118",
"Sample ID":"s118-2",
"Factors":{"time_weeks":"2","intervention":"control"}
},
{
"Subject ID":"XMaS118",
"Sample ID":"s118-3",
"Factors":{"time_weeks":"4","intervention":"control"}
},
{
"Subject ID":"XMaS118",
"Sample ID":"s118-4",
"Factors":{"time_weeks":"6","intervention":"control"}
},
{
"Subject ID":"XMaS118",
"Sample ID":"s118-5",
"Factors":{"time_weeks":"8","intervention":"control"}
},
{
"Subject ID":"XMaS119",
"Sample ID":"s119-1",
"Factors":{"time_weeks":"0","intervention":"control"}
},
{
"Subject ID":"XMaS119",
"Sample ID":"s119-2",
"Factors":{"time_weeks":"2","intervention":"control"}
},
{
"Subject ID":"XMaS119",
"Sample ID":"s119-3",
"Factors":{"time_weeks":"4","intervention":"control"}
},
{
"Subject ID":"XMaS119",
"Sample ID":"s119-4",
"Factors":{"time_weeks":"6","intervention":"control"}
},
{
"Subject ID":"XMaS119",
"Sample ID":"s119-5",
"Factors":{"time_weeks":"8","intervention":"control"}
},
{
"Subject ID":"XMaS121",
"Sample ID":"s121-1",
"Factors":{"time_weeks":"0","intervention":"control"}
},
{
"Subject ID":"XMaS121",
"Sample ID":"s121-2",
"Factors":{"time_weeks":"2","intervention":"control"}
},
{
"Subject ID":"XMaS121",
"Sample ID":"s121-3",
"Factors":{"time_weeks":"4","intervention":"control"}
},
{
"Subject ID":"XMaS121",
"Sample ID":"s121-4",
"Factors":{"time_weeks":"6","intervention":"control"}
},
{
"Subject ID":"XMaS121",
"Sample ID":"s121-5",
"Factors":{"time_weeks":"8","intervention":"control"}
},
{
"Subject ID":"XMaS122",
"Sample ID":"s122-1",
"Factors":{"time_weeks":"0","intervention":"control"}
},
{
"Subject ID":"XMaS122",
"Sample ID":"s122-2",
"Factors":{"time_weeks":"2","intervention":"control"}
},
{
"Subject ID":"XMaS122",
"Sample ID":"s122-3",
"Factors":{"time_weeks":"4","intervention":"control"}
},
{
"Subject ID":"XMaS122",
"Sample ID":"s122-4",
"Factors":{"time_weeks":"6","intervention":"control"}
},
{
"Subject ID":"XMaS122",
"Sample ID":"s122-5",
"Factors":{"time_weeks":"8","intervention":"control"}
},
{
"Subject ID":"XMaS123",
"Sample ID":"s123-1",
"Factors":{"time_weeks":"0","intervention":"treated"}
},
{
"Subject ID":"XMaS123",
"Sample ID":"s123-2",
"Factors":{"time_weeks":"2","intervention":"treated"}
},
{
"Subject ID":"XMaS123",
"Sample ID":"s123-3",
"Factors":{"time_weeks":"4","intervention":"treated"}
},
{
"Subject ID":"XMaS123",
"Sample ID":"s123-4",
"Factors":{"time_weeks":"6","intervention":"treated"}
},
{
"Subject ID":"XMaS123",
"Sample ID":"s123-5",
"Factors":{"time_weeks":"8","intervention":"treated"}
},
{
"Subject ID":"XMaS124",
"Sample ID":"s124-1",
"Factors":{"time_weeks":"0","intervention":"treated"}
},
{
"Subject ID":"XMaS124",
"Sample ID":"s124-2",
"Factors":{"time_weeks":"2","intervention":"treated"}
},
{
"Subject ID":"XMaS124",
"Sample ID":"s124-3",
"Factors":{"time_weeks":"4","intervention":"treated"}
},
{
"Subject ID":"XMaS124",
"Sample ID":"s124-4",
"Factors":{"time_weeks":"6","intervention":"treated"}
},
{
"Subject ID":"XMaS124",
"Sample ID":"s124-5",
"Factors":{"time_weeks":"8","intervention":"treated"}
},
{
"Subject ID":"XMaS126",
"Sample ID":"s126-1",
"Factors":{"time_weeks":"0","intervention":"control"}
},
{
"Subject ID":"XMaS126",
"Sample ID":"s126-2",
"Factors":{"time_weeks":"2","intervention":"control"}
},
{
"Subject ID":"XMaS126",
"Sample ID":"s126-3",
"Factors":{"time_weeks":"4","intervention":"control"}
},
{
"Subject ID":"XMaS126",
"Sample ID":"s126-4",
"Factors":{"time_weeks":"6","intervention":"control"}
},
{
"Subject ID":"XMaS126",
"Sample ID":"s126-5",
"Factors":{"time_weeks":"8","intervention":"control"}
},
{
"Subject ID":"XMaS127",
"Sample ID":"s127-1",
"Factors":{"time_weeks":"0","intervention":"treated"}
},
{
"Subject ID":"XMaS127",
"Sample ID":"s127-2",
"Factors":{"time_weeks":"2","intervention":"treated"}
},
{
"Subject ID":"XMaS127",
"Sample ID":"s127-3",
"Factors":{"time_weeks":"4","intervention":"treated"}
},
{
"Subject ID":"XMaS127",
"Sample ID":"s127-4",
"Factors":{"time_weeks":"6","intervention":"treated"}
},
{
"Subject ID":"XMaS127",
"Sample ID":"s127-5",
"Factors":{"time_weeks":"8","intervention":"treated"}
},
{
"Subject ID":"XMaS129",
"Sample ID":"s129-1",
"Factors":{"time_weeks":"0","intervention":"treated"}
},
{
"Subject ID":"XMaS129",
"Sample ID":"s129-2",
"Factors":{"time_weeks":"2","intervention":"treated"}
},
{
"Subject ID":"XMaS129",
"Sample ID":"s129-3",
"Factors":{"time_weeks":"4","intervention":"treated"}
},
{
"Subject ID":"XMaS129",
"Sample ID":"s129-4",
"Factors":{"time_weeks":"6","intervention":"treated"}
},
{
"Subject ID":"XMaS129",
"Sample ID":"s129-5",
"Factors":{"time_weeks":"8","intervention":"treated"}
},
{
"Subject ID":"XMaS130",
"Sample ID":"s130-1",
"Factors":{"time_weeks":"0","intervention":"treated"}
},
{
"Subject ID":"XMaS130",
"Sample ID":"s130-2",
"Factors":{"time_weeks":"2","intervention":"treated"}
},
{
"Subject ID":"XMaS130",
"Sample ID":"s130-3",
"Factors":{"time_weeks":"4","intervention":"treated"}
},
{
"Subject ID":"XMaS130",
"Sample ID":"s130-4",
"Factors":{"time_weeks":"6","intervention":"treated"}
},
{
"Subject ID":"XMaS130",
"Sample ID":"s130-5",
"Factors":{"time_weeks":"8","intervention":"treated"}
},
{
"Subject ID":"XMaS131",
"Sample ID":"s131-1",
"Factors":{"time_weeks":"0","intervention":"treated"}
},
{
"Subject ID":"XMaS131",
"Sample ID":"s131-2",
"Factors":{"time_weeks":"2","intervention":"treated"}
},
{
"Subject ID":"XMaS131",
"Sample ID":"s131-3",
"Factors":{"time_weeks":"4","intervention":"treated"}
},
{
"Subject ID":"XMaS131",
"Sample ID":"s131-4",
"Factors":{"time_weeks":"6","intervention":"treated"}
},
{
"Subject ID":"XMaS131",
"Sample ID":"s131-5",
"Factors":{"time_weeks":"8","intervention":"treated"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Fecal samples were collected longitudinally at 2-week intervals during the 8-week study. Samples were kept on ice immediately after collection and snap-frozen, then stored in -80 freezers until processing.","SAMPLE_TYPE":"Feces"},

"TREATMENT":{"TREATMENT_SUMMARY":"Participants were randomly allocated to intervention arms to receive either 24 mg or a rice protein placebo capsule daily for 8 weeks. Clinic check-in and sample collections occurred at baseline and 2-week intervals until study close-out (week 8)."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Fecal samples were dried using vacuum desiccator and 70% methanol:water (1:4 w/v) was added for fecal homogenate. Samples were centrifuged and supernatant was collected. 10 uL of fecal supernatant, 10 uL of cholic acid-D4 internal standard (1 ug/mL in ethanol) and 80 uL of 50% methanol:water were mixed and added to a autosampler vial."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Shimadzu 20AD","COLUMN_NAME":"Waters ACQUITY UPLC CSH C18 (100 x 2.1mm,1.7um)","SOLVENT_A":"water with 0.1% formic acid (v/v)","SOLVENT_B":"acetonitrile with 0.1% formic acid (v/v)","FLOW_GRADIENT":"0 to 1 min, 35% B; 10 min, 60% B; 10.5 min, 99% B; 13 min, 99% B; 13.5 to 17 min, 35% B","FLOW_RATE":"0.25 mL/min","COLUMN_TEMPERATURE":"40"},

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

"MS":{"INSTRUMENT_NAME":"ABI Sciex 4000 QTrap","INSTRUMENT_TYPE":"Triple quadrupole","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"Metabolites were confirmed by matching m/z values, retention times and product ions of SRM transitions with those of reference standards"},

"MS_METABOLITE_DATA":{
"Units":"ng/g",

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}

}