{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001337","ANALYSIS_ID":"AN002231","VERSION":"1","CREATED_ON":"April 1, 2020, 8:59 am"},

"PROJECT":{"PROJECT_TITLE":"aryl hydrocarbon receptor-related compounds studies","PROJECT_SUMMARY":"The aryl hydrocarbon receptor (AHR) is a ligand-activated transcription factor that responds to a variety of structurally diverse exogenous and endogenous small molecules. Gut microbiota utilizing tryptophan and indole metabolism as a reservoir, has been demonstrated to provide an abundant source of AHR ligands. So untargeted global profiling was performed to find the potential candidates of AHR activator in human feces.","INSTITUTE":"The Pennsylvania State University","LAST_NAME":"DONG","FIRST_NAME":"FANGCONG","ADDRESS":"314 Life Sciences Building, University Park, PA 16802","EMAIL":"fxd93@psu.edu","PHONE":"8148637610"},

"STUDY":{"STUDY_TITLE":"Global profiling for human feces","STUDY_SUMMARY":"The aryl hydrocarbon receptor (AHR) is a ligand-activated transcription factor that responds to a variety of structurally diverse exogenous and endogenous small molecules. Gut microbiota utilizing tryptophan and indole metabolism as a reservoir, has been demonstrated to provide an abundant source of AHR ligands. So untargeted global profiling was performed to find the potential candidates of AHR activator in human feces.","INSTITUTE":"The Pennsylvania State University","LAST_NAME":"DONG","FIRST_NAME":"FANGCONG","ADDRESS":"314 Life Sciences Building, University Park, PA, 16802","EMAIL":"fxd93@psu.edu","PHONE":"8148637610"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"Human feces_ALA007",
"Factors":{"Treatment":"defined diet"},
"Additional sample data":{"RAW_FILE_NAME":"Human feces_ALA007.raw"}
},
{
"Subject ID":"-",
"Sample ID":"Human feces_ALA011",
"Factors":{"Treatment":"defined diet"},
"Additional sample data":{"RAW_FILE_NAME":"Human feces_ALA011.raw"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Feces were collected from individuals at risk for cardiovascular disease involved in a randomized, controlled, 3‐period, crossover, feeding trial. Following a 2‐week standard Western diet run‐in (12% saturated FAs [SFA], 7% polyunsaturated FAs, 12% monounsaturated FAs), participants consumed 3 isocaloric weight‐maintenance diets for 6 weeks each: a walnut diet (.D  7% SFA, 16% polyunsaturated FAs, 3% ALA, 9% monounsaturated FAs); a walnut FA‐matched diet; and an oleic acid–replaced‐ALA diet (7% SFA, 14% polyunsaturated FAs, 0.5% ALA, 12% monounsaturated FAs), which substituted the amount of ALA from walnuts in the WD with oleic acid.","SAMPLE_TYPE":"Feces"},

"TREATMENT":{"TREATMENT_SUMMARY":"Feces were collected from individuals at risk for cardiovascular disease involved in a randomized, controlled, 3‐period, crossover, feeding trial. Following a 2‐week standard Western diet run‐in (12% saturated FAs [SFA], 7% polyunsaturated FAs, 12% monounsaturated FAs), participants consumed 3 isocaloric weight‐maintenance diets for 6 weeks each: a walnut diet (.D  7% SFA, 16% polyunsaturated FAs, 3% ALA, 9% monounsaturated FAs); a walnut FA‐matched diet; and an oleic acid–replaced‐ALA diet (7% SFA, 14% polyunsaturated FAs, 0.5% ALA, 12% monounsaturated FAs), which substituted the amount of ALA from walnuts in the WD with oleic acid."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Freeze dried human stool (~ 30 mg) were mixed with 1 mL of ice cold 80% methanol (v/v) containing 0.1% formic acid (v/v). Each mixture was homogenized with 1 mm zirconium beads using a BeadBlasterTM 24 (Benchmark Scientific, Edison, NJ, USA) homogenizer. All samples were homogenized according to the program parameters: 6500 - 1×30 - 005 (×3). After vortexing, samples were sonicated for 20 min in an ice water bath, prior to centrifugation at 20,000 × g for 20 min at 4 ℃. The supernatants were collected, dried in a Savant SpeedVac (Thermo Scientific, Waltham, MA, USA), and reconstituted in 100 μL of 3% methanol (v/v) containing 1 µM chlorpropamide (internal standard).","SAMPLEPREP_PROTOCOL_ID":"MS_protocol_for_global_profiling","SAMPLEPREP_PROTOCOL_FILENAME":"MS_protocol_for_global_profiling.pdf"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Vanquish UHPLC system","COLUMN_NAME":"BEH C18 column (2.1 × 100 mm, 1.7 µm particle size; Waters)"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Fusion Tribrid Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"Solvent A was HPLC-grade water with 0.1% formic acid, and solvent B was HPLC-grade acetonitrile with 0.1% formic acid. The initial condition was 97% A and 3% B, increasing to 45% B at 10 min and 75% B at 12 min, where it was held at 75% B until 17.5 min before returning to the initial conditions.","MS_RESULTS_FILE":"ST001337_AN002231_Results.txt UNITS:peak area Has m/z:Yes Has RT:Yes RT units:Minutes"}

}