{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001280","ANALYSIS_ID":"AN002121","VERSION":"1","CREATED_ON":"November 19, 2019, 9:55 am"},

"PROJECT":{"PROJECT_TITLE":"Macrophage-Mediated Clofazamine Sequestration is Accompanied by a Shift in Host Energy Metabolism","PROJECT_SUMMARY":"Examined the effects of long-term dosing with CFZ of mice, metabolic data on CFZ and sham mice was collected at 0, 2, 4, and 8 weeks, at 8 weeks mice were sacrificed and WB was collected from 6 CFZ treated mice and 7 sham mice","INSTITUTE":"University of Michigan","DEPARTMENT":"Clinical Pharmacy, Center for Bioinformatics and Computational Medicine","LABORATORY":"NMR Metabolomics Laboratory, University of Michigan","LAST_NAME":"Stringer","FIRST_NAME":"Kathleen","ADDRESS":"College of Pharmacy, 428 Church St, Ann Arbor, MI, 48109","EMAIL":"stringek@med.umich.edu","PHONE":"734- 647-4775","FUNDING_SOURCE":"NIGMS"},

"STUDY":{"STUDY_TITLE":"Macrophage-Mediated Clofazimine Sequestration is Accompanied by a Shift in Host Energy Metabolism","STUDY_TYPE":"4 timepoints for urine collection, whole blood collected at sacrifice (8 weeks)","STUDY_SUMMARY":"Examined the effects of long-term dosing with CFZ of mice, metabolic data on CFZ and sham mice was collected at 0, 2, 4, and 8 weeks, at 8 weeks mice were sacrificed and WB was collected from 6 CFZ treated mice and 7 sham mice","INSTITUTE":"University of Michigan","DEPARTMENT":"Clinical Pharmacy","LABORATORY":"NMR Metabolomics Laboratory, University of Michigan","LAST_NAME":"Stringer","FIRST_NAME":"Kathleen","ADDRESS":"College of Pharmacy, 428 Church St, Ann Arbor, MI, 48109","EMAIL":"stringek@med.umich.edu","PHONE":"734-647-4775","NUM_GROUPS":"2","TOTAL_SUBJECTS":"13, 48 urine Samples, 13 WB Samples","NUM_MALES":"13","PUBLICATIONS":"10.1016/j.xphs.2016.12.009"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090","GENOTYPE_STRAIN":"C57Bl6","AGE_OR_AGE_RANGE":"5wks-13wks","GENDER":"Male","ANIMAL_ANIMAL_SUPPLIER":"Jackson Laboratory (Bar Harbor, ME)","ANIMAL_LIGHT_CYCLE":"12hr light 12hr dark","ANIMAL_FEED":"LabDiet 5001 (PMI International, Inc, St. Louis, MO) ad libitum","ANIMAL_WATER":"ad libitum"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"Cage1",
"Sample ID":"Cage1_Wk0",
"Factors":{"Condition":"Placebo","Timepoint (weeks)":"-"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.6","KEGG ID":"-"}
},
{
"Subject ID":"Cage2",
"Sample ID":"Cage2_Wk0",
"Factors":{"Condition":"Placebo","Timepoint (weeks)":"-"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.66","KEGG ID":"-"}
},
{
"Subject ID":"Cage3",
"Sample ID":"Cage3_Wk0",
"Factors":{"Condition":"Placebo","Timepoint (weeks)":"-"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.43","KEGG ID":"-"}
},
{
"Subject ID":"Cage4",
"Sample ID":"Cage4_Wk0",
"Factors":{"Condition":"Placebo","Timepoint (weeks)":"-"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.43","KEGG ID":"-"}
},
{
"Subject ID":"Cage5",
"Sample ID":"Cage5_Wk0",
"Factors":{"Condition":"Placebo","Timepoint (weeks)":"-"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.67","KEGG ID":"-"}
},
{
"Subject ID":"Cage6",
"Sample ID":"Cage6_Wk0",
"Factors":{"Condition":"Placebo","Timepoint (weeks)":"-"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.65","KEGG ID":"-"}
},
{
"Subject ID":"Cage7",
"Sample ID":"Cage7_Wk0",
"Factors":{"Condition":"CFZ","Timepoint (weeks)":"-"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.5","KEGG ID":"-"}
},
{
"Subject ID":"Cage8",
"Sample ID":"Cage8_Wk0",
"Factors":{"Condition":"CFZ","Timepoint (weeks)":"-"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.54","KEGG ID":"-"}
},
{
"Subject ID":"Cage9",
"Sample ID":"Cage9_Wk0",
"Factors":{"Condition":"CFZ","Timepoint (weeks)":"-"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.5","KEGG ID":"-"}
},
{
"Subject ID":"Cage10",
"Sample ID":"Cage10_Wk0",
"Factors":{"Condition":"CFZ","Timepoint (weeks)":"-"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.72","KEGG ID":"-"}
},
{
"Subject ID":"Cage11",
"Sample ID":"Cage11_Wk0",
"Factors":{"Condition":"CFZ","Timepoint (weeks)":"-"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.73","KEGG ID":"-"}
},
{
"Subject ID":"Cage12",
"Sample ID":"Cage12_Wk0",
"Factors":{"Condition":"CFZ","Timepoint (weeks)":"-"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.51","KEGG ID":"-"}
},
{
"Subject ID":"Cage1",
"Sample ID":"Cage1_Wk2",
"Factors":{"Condition":"placebo","Timepoint (weeks)":"2"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.77","KEGG ID":"-"}
},
{
"Subject ID":"Cage2",
"Sample ID":"Cage2_Wk2",
"Factors":{"Condition":"placebo","Timepoint (weeks)":"2"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.69","KEGG ID":"-"}
},
{
"Subject ID":"Cage3",
"Sample ID":"Cage3_Wk2",
"Factors":{"Condition":"placebo","Timepoint (weeks)":"2"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.62","KEGG ID":"-"}
},
{
"Subject ID":"Cage4",
"Sample ID":"Cage4_Wk2",
"Factors":{"Condition":"placebo","Timepoint (weeks)":"2"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.79","KEGG ID":"-"}
},
{
"Subject ID":"Cage5",
"Sample ID":"Cage5_Wk2",
"Factors":{"Condition":"placebo","Timepoint (weeks)":"2"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.52","KEGG ID":"-"}
},
{
"Subject ID":"Cage6",
"Sample ID":"Cage6_Wk2",
"Factors":{"Condition":"placebo","Timepoint (weeks)":"2"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.87","KEGG ID":"-"}
},
{
"Subject ID":"Cage7",
"Sample ID":"Cage7_Wk2",
"Factors":{"Condition":"CFZ","Timepoint (weeks)":"2"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.26","KEGG ID":"-"}
},
{
"Subject ID":"Cage8",
"Sample ID":"Cage8_Wk2",
"Factors":{"Condition":"CFZ","Timepoint (weeks)":"2"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.7","KEGG ID":"-"}
},
{
"Subject ID":"Cage9",
"Sample ID":"Cage9_Wk2",
"Factors":{"Condition":"CFZ","Timepoint (weeks)":"2"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.83","KEGG ID":"-"}
},
{
"Subject ID":"Cage10",
"Sample ID":"Cage10_Wk2",
"Factors":{"Condition":"CFZ","Timepoint (weeks)":"2"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.6","KEGG ID":"-"}
},
{
"Subject ID":"Cage11",
"Sample ID":"Cage11_Wk2",
"Factors":{"Condition":"CFZ","Timepoint (weeks)":"2"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.92","KEGG ID":"-"}
},
{
"Subject ID":"Cage12",
"Sample ID":"Cage12_Wk2",
"Factors":{"Condition":"CFZ","Timepoint (weeks)":"2"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.5","KEGG ID":"-"}
},
{
"Subject ID":"Cage1",
"Sample ID":"Cage1_Wk4",
"Factors":{"Condition":"placebo","Timepoint (weeks)":"4"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.52","KEGG ID":"-"}
},
{
"Subject ID":"Cage2",
"Sample ID":"Cage2_Wk4",
"Factors":{"Condition":"placebo","Timepoint (weeks)":"4"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.52","KEGG ID":"-"}
},
{
"Subject ID":"Cage3",
"Sample ID":"Cage3_Wk4",
"Factors":{"Condition":"placebo","Timepoint (weeks)":"4"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.51","KEGG ID":"-"}
},
{
"Subject ID":"Cage4",
"Sample ID":"Cage4_Wk4",
"Factors":{"Condition":"placebo","Timepoint (weeks)":"4"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.5","KEGG ID":"-"}
},
{
"Subject ID":"Cage5",
"Sample ID":"Cage5_Wk4",
"Factors":{"Condition":"placebo","Timepoint (weeks)":"4"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.92","KEGG ID":"-"}
},
{
"Subject ID":"Cage6",
"Sample ID":"Cage6_Wk4",
"Factors":{"Condition":"placebo","Timepoint (weeks)":"4"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.83","KEGG ID":"-"}
},
{
"Subject ID":"Cage7",
"Sample ID":"Cage7_Wk4",
"Factors":{"Condition":"CFZ","Timepoint (weeks)":"4"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.72","KEGG ID":"-"}
},
{
"Subject ID":"Cage8",
"Sample ID":"Cage8_Wk4",
"Factors":{"Condition":"CFZ","Timepoint (weeks)":"4"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.63","KEGG ID":"-"}
},
{
"Subject ID":"Cage9",
"Sample ID":"Cage9_Wk4",
"Factors":{"Condition":"CFZ","Timepoint (weeks)":"4"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.75","KEGG ID":"-"}
},
{
"Subject ID":"Cage10",
"Sample ID":"Cage10_Wk4",
"Factors":{"Condition":"CFZ","Timepoint (weeks)":"4"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.52","KEGG ID":"-"}
},
{
"Subject ID":"Cage11",
"Sample ID":"Cage11_Wk4",
"Factors":{"Condition":"CFZ","Timepoint (weeks)":"4"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.6","KEGG ID":"-"}
},
{
"Subject ID":"Cage12",
"Sample ID":"Cage12_Wk4",
"Factors":{"Condition":"CFZ","Timepoint (weeks)":"4"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"-","KEGG ID":"-"}
},
{
"Subject ID":"Cage1",
"Sample ID":"Cage1_Wk8",
"Factors":{"Condition":"placebo","Timepoint (weeks)":"8"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.6","KEGG ID":"-"}
},
{
"Subject ID":"Cage2",
"Sample ID":"Cage2_Wk8",
"Factors":{"Condition":"placebo","Timepoint (weeks)":"8"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.6","KEGG ID":"-"}
},
{
"Subject ID":"Cage3",
"Sample ID":"Cage3_Wk8",
"Factors":{"Condition":"placebo","Timepoint (weeks)":"8"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.6","KEGG ID":"-"}
},
{
"Subject ID":"Cage4",
"Sample ID":"Cage4_Wk8",
"Factors":{"Condition":"placebo","Timepoint (weeks)":"8"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.6","KEGG ID":"-"}
},
{
"Subject ID":"Cage5",
"Sample ID":"Cage5_Wk8",
"Factors":{"Condition":"placebo","Timepoint (weeks)":"8"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.6","KEGG ID":"-"}
},
{
"Subject ID":"Cage6",
"Sample ID":"Cage6_Wk8",
"Factors":{"Condition":"placebo","Timepoint (weeks)":"8"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.6","KEGG ID":"-"}
},
{
"Subject ID":"Cage7",
"Sample ID":"Cage7_Wk8",
"Factors":{"Condition":"CFZ","Timepoint (weeks)":"8"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.6","KEGG ID":"-"}
},
{
"Subject ID":"Cage8",
"Sample ID":"Cage8_Wk8",
"Factors":{"Condition":"CFZ","Timepoint (weeks)":"8"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.6","KEGG ID":"-"}
},
{
"Subject ID":"Cage9",
"Sample ID":"Cage9_Wk8",
"Factors":{"Condition":"CFZ","Timepoint (weeks)":"8"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.6","KEGG ID":"-"}
},
{
"Subject ID":"Cage10",
"Sample ID":"Cage10_Wk8",
"Factors":{"Condition":"CFZ","Timepoint (weeks)":"8"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.6","KEGG ID":"-"}
},
{
"Subject ID":"Cage11",
"Sample ID":"Cage11_Wk8",
"Factors":{"Condition":"CFZ","Timepoint (weeks)":"8"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.6","KEGG ID":"-"}
},
{
"Subject ID":"Cage12",
"Sample ID":"Cage12_Wk8",
"Factors":{"Condition":"CFZ","Timepoint (weeks)":"8"},
"Additional sample data":{"Sample Type":"Mouse Urine","Initial Vol (uL)":"500","NMR pH":"6.6","KEGG ID":"-"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Urine: 18 hour collection from metabolic cages. At the end of each collection urine volume was measured and centrifuged (2000xg, 10 mins, °C). Internal standard was added equivalent to 10% of sample volume, aliquots were transferred into screw-top cryotubes and stored at -80°C. WB: cardiac puncture after anesthesia. Collected by cardiac puncture and transferred to a microcentrifuge tube containing sodium heparin in an ice water bath. Stored @ -80°C within 10 minutes of collection","COLLECTION_PROTOCOL_FILENAME":"MouseUrineCollection,Processing_MetabolicCages.V1.5.pdf","COLLECTION_PROTOCOL_COMMENTS":"Urine Collected 4 times over 8 weeks, each collection over 18 hours","SAMPLE_TYPE":"Urine","COLLECTION_METHOD":"From Metabolic cages","COLLECTION_FREQUENCY":"2 weeks","COLLECTION_DURATION":"18hr","STORAGE_CONDITIONS":"-80℃","COLLECTION_VIALS":"Sterile 2mL microcentrifuge tubes","STORAGE_VIALS":"Sterile 2mL microcentrifuge tubes","COLLECTION_TUBE_TEMP":"Room temp"},

"TREATMENT":{"TREATMENT_SUMMARY":"For treated mice: CFZ dissolved in sesame oil, added to chow, as 0.03% to powdered feed mix, chow provided ad libitum","TREATMENT_ROUTE":"CFZ dissolved in sesame oil, added to chow, chow provided ad libitum","TREATMENT_DOSE":"0.03% CFZ to powdered feed mix","TREATMENT_DOSEDURATION":"8 weeks","TREATMENT_VEHICLE":"sesame oil (Shirakiku, Japan)","ANIMAL_ACCLIMATION_DURATION":"1 week","ANIMAL_ENDP_EUTHANASIA":"exsanguination while deeply anethetied with an intraperitoneal injection of ketamine (100mg/kg) and xlazine (10mg/kg)","TREATMENT_COMPOUND":"Clofazamine (C8895; Sigma-Aldrich, St. Louis, MO)"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Urine: centrifugation (2000xg, 10mins, 4°C) before NMR","PROCESSING_METHOD":"centrifugation","PROCESSING_STORAGE_CONDITIONS":"4℃","SAMPLE_SPIKING":"DSS-IS2 (Chenomx, Inc)"},

"ANALYSIS":{"ACQUISITION_DATE":"1/29/2014, 5/15/14, 5/19/14, 5/20/14, 5/21/14, 5/22/14, 5/23/14, 10/23/14, 11/11/14, 11/24/14"},

"NM":{"INSTRUMENT_NAME":"Varian 500 MHz","INSTRUMENT_TYPE":"FT-NMR","NMR_EXPERIMENT_TYPE":"1D-1H","NMR_COMMENTS":"Arrayed for water saturation frequency and 90deg. pulse width for each sample","SPECTROMETER_FREQUENCY":"500 MHz","NMR_PROBE":"ONE-Probe","NMR_SOLVENT":"D2O","NMR_TUBE_SIZE":"5mm","SHIMMING_METHOD":"Auto shim (gradient shimming), manual when necessary.","PULSE_SEQUENCE":"1D-NOESY","WATER_SUPPRESSION":"saturation at 80 Hz induced field strength","PULSE_WIDTH":"5.5ms","OFFSET_FREQUENCY":"around -178Hz","CHEMICAL_SHIFT_REF_CPD":"DSS-d6 IS-2 (Chenomx)","TEMPERATURE":"25","NUMBER_OF_SCANS":"32"},

"NMR_METABOLITE_DATA":{
"Units":"μM",

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}

}