{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000045","ANALYSIS_ID":"AN000074","VERSION":"1","CREATED_ON":"2016-09-17"},

"PROJECT":{"PROJECT_TITLE":"Concordance of changes in metabolic pathways based on plasma metabolomics and muscle transcriptomics in type 1 diabetes.","PROJECT_TYPE":"Untargeted LC-MS Metabolomics","PROJECT_SUMMARY":"Insulin regulates many cellular processes, but the full impact of insulin on cellular functions remains to be defined. Applying a mass spectrometry-based metabolomics approach, we report here alterations of 330 plasma metabolites 33 metabolic pathways during an 8-h insulin deprivation in type 1 diabetic These pathways included those known to be affected by insulin such as glucose, acid and lipid metabolism, Krebs cycle, and immune responses and those hitherto to be altered including prostaglandin, arachidonic acid, leukotrienes, nucleotides, and anti-inflammatory responses. A significant concordance of and skeletal muscle transcriptome-based pathways supports an assumption that metabolites are chemical fingerprints of cellular events. Although insulin normalized plasma glucose and many other metabolites, there were 71 metabolites 24 pathways that differed between nondiabetes and insulin-treated type 1 Confirmation of many known pathways altered by insulin using a single blood offers confidence in the current approach. Future research needs to be focused newly discovered pathways affected by insulin deficiency and systemic insulin to determine whether they contribute to the high morbidity and mortality in T1D insulin treatment.","INSTITUTE":"Mayo Clinic","DEPARTMENT":"Endocrinology","LAST_NAME":"Nair","FIRST_NAME":"Sreekumaran","ADDRESS":"200 First Street SW, Rochester, MN 55905","EMAIL":"Dasari.Surendra@mayo.edu","PHONE":"507-284-0513","FUNDING_SOURCE":"R01 DK41973, UL1 RR024150-01","PROJECT_COMMENTS":"22415876"},

"STUDY":{"STUDY_TITLE":"Plasma metabolomics:  Comparison of non-diabetic controls with T1D patients","STUDY_TYPE":"Drug effect study","STUDY_SUMMARY":"Non-diabetic controls whose metabolites were compared to T1D patients with and insulin. Seven C-peptide?negative T1D subjects were studied on two occasions: during insulin treatment and the other following withdrawal of insulin for 8 h compared with matched healthy ND participants","INSTITUTE":"Mayo Clinic","DEPARTMENT":"Endocrinology","LAST_NAME":"Nair","FIRST_NAME":"Sree","ADDRESS":"-","EMAIL":"Dasari.Surendra@mayo.edu","PHONE":"-","NUM_GROUPS":"1","TOTAL_SUBJECTS":"7"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","SPECIES_GROUP":"Human"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"T1D_S01",
"Sample ID":"Group1B",
"Factors":{"Treatment":"Insulin Withdrawal"}
},
{
"Subject ID":"T1D_S02",
"Sample ID":"Group2B",
"Factors":{"Treatment":"Insulin Withdrawal"}
},
{
"Subject ID":"T1D_S03",
"Sample ID":"Group3B",
"Factors":{"Treatment":"Insulin Withdrawal"}
},
{
"Subject ID":"T1D_S04",
"Sample ID":"Group4B",
"Factors":{"Treatment":"Insulin Withdrawal"}
},
{
"Subject ID":"T1D_S05",
"Sample ID":"Group5B",
"Factors":{"Treatment":"Insulin Withdrawal"}
},
{
"Subject ID":"T1D_S06",
"Sample ID":"Group6B",
"Factors":{"Treatment":"Insulin Withdrawal"}
},
{
"Subject ID":"T1D_S07",
"Sample ID":"Group7B",
"Factors":{"Treatment":"Insulin Withdrawal"}
},
{
"Subject ID":"ND_S01",
"Sample ID":"Group1C",
"Factors":{"Treatment":"Saline Infusion"}
},
{
"Subject ID":"ND_S02",
"Sample ID":"Group2C",
"Factors":{"Treatment":"Saline Infusion"}
},
{
"Subject ID":"ND_S03",
"Sample ID":"Group3C",
"Factors":{"Treatment":"Saline Infusion"}
},
{
"Subject ID":"ND_S04",
"Sample ID":"Group4C",
"Factors":{"Treatment":"Saline Infusion"}
},
{
"Subject ID":"ND_S05",
"Sample ID":"Group5C",
"Factors":{"Treatment":"Saline Infusion"}
},
{
"Subject ID":"ND_S06",
"Sample ID":"Group6C",
"Factors":{"Treatment":"Saline Infusion"}
},
{
"Subject ID":"ND_S07",
"Sample ID":"Group7C",
"Factors":{"Treatment":"Saline Infusion"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Arterialized venous blood was obtained from a catheterized hand vein maintained 60°C using a hot box for the duration of the study. Plasma samples were stored -80°C until analysis.","SAMPLE_TYPE":"Blood. Plasma was isolated for MS analysis.","COLLECTION_LOCATION":"Hand vein"},

"TREATMENT":{"TREATMENT_SUMMARY":"Saline Infusion | Insulin Withdrawal | Insulin Infusion","TREATMENT_PROTOCOL_ID":"SI / IW / II","TREATMENT_PROTOCOL_COMMENTS":"ND participants were kept on a saline infusion from the evening following their | Insulin was discontinued for 8.6 +/- 0.6 h starting at 0400 h. | Insulin was into a forearm vein to maintain blood glucose between 4.44 and 5.56 mmol | L until 1200 h the next day.","TREATMENT_COMPOUND":"Saline | Insulin"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Plasma quality-control samples used in the study were prepared from pooled spiked with a selection of metabolites to mimic elevated levels of metabolites I- (insulin withdrawn) condition. Plasma was spiked with a standard mixture ratio of plasma to spiking solution) containing 100 µg/mL niacin, leucine, isoleucine, phenylalanine, tryptophan, citric acid, glucose, hippuric and taurocholic acid dissolved in 1:1 acetonitrile/water. All plasma samples µL) were thawed on ice at 4°C followed by deproteinization with methanol (1:4 of plasma to methanol) and vortexed for 10 s, followed by incubation at -20°C 2 h. The samples were then centrifuged at 15,871g for 30 min at 4°C. The were lyophilized (Savant, Holbrook, NY) and stored at -20°C prior to analysis. samples were reconstituted in 50% H2O/acetonitrile and passed through a YM3 filter (Millipore Corporation). The supernatants were transferred to vials, stored in the autosampler at 4°C, and analyzed within 48 h of in buffer."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"C18","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Waters Acquity","COLUMN_NAME":"high-strength silica 2.1 150 mm, 1.8 m; Waters","CHROMATOGRAPHY_COMMENTS":"The liquid chromatography platform consisted of an Acquity UPLC system (Waters, MA). Plasma metabolite separation was achieved using both hydrophilic chromatography (ethylene-bridged hybrid 2.1 150 mm, 1.7 m; Waters) and liquid chromatography C18 (high-strength silica 2.1 150 mm, 1.8 m; Waters). For column, the run time was 20 min at a flow rate of 400 L/min. Reverse-phase was performed using 99% solvent A (5 mmol/L NH4 acetate, 0.1% formic acid, and acetonitrile) to 100% solvent B (95% acetonitrile with 0.1% formic acid). The was 0 min, 0% B; 1 min, 0% B; 3 min, 5% B; 13.0 min, 100% B; 16 min, 100% B; min, 0% B; and 20 min, 0% B. Other LC parameters were injection volume 5 L and temperature 50C. Each sample was injected in triplicate with blank injections each sample. Quality controls and standards were run at the beginning and end the sequence."},

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

"MS":{"INSTRUMENT_NAME":"Agilent 6220 TOF","INSTRUMENT_TYPE":"TOF","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"Negative-ion mode/C18: A 6220 ToF MS (Agilent Technologies) was operated in positive and negative electrospray ionization modes using a scan range of m/z. The mass accuracy and mass resolution were <5 parts per million (ppm) and respectively. The instrument settings were as follows: nebulizer gas 325°C, capillary voltage 3.5 kV, capillary temperature 300°C, fragmentor 150 V, skimmer voltage 58 V, octapole voltage 250 V, cycle time 0.5 s, and run 15.0 min."},

"MS_METABOLITE_DATA":{
"Units":"Raw MS Intensities",

"Data":[{"Metabolite":"2-Butanone_4-[6-(sulfooxy)-2-naphthalenyl]-","Group1B":"155103.6667","Group2B":"276712.5000","Group3B":"250082.0000","Group4B":"338701.8333","Group5B":"222400.6667","Group6B":"261165.3333","Group7B":"314010.5000","Group1C":"220828.0000","Group2C":"","Group3C":"165558.0000","Group4C":"301389.0000","Group5C":"239306.6667","Group6C":"301983.0000","Group7C":"273185.6667"},{"Metabolite":"2-Methoxyestrone3-glucuronide","Group1B":"72286.0000","Group2B":"63813.3333","Group3B":"117560.5000","Group4B":"39446.8333","Group5B":"58604.3333","Group6B":"29655.1667","Group7B":"51748.6667","Group1C":"33056.0000","Group2C":"40428.0000","Group3C":"25838.6667","Group4C":"32902.0000","Group5C":"63035.3333","Group6C":"68708.6667","Group7C":"50633.6667"},{"Metabolite":"2-Oxo-3-hydroxy-4-phosphobutanoate","Group1B":"4079481.3333","Group2B":"4428458.6667","Group3B":"1867693.0000","Group4B":"2276804.1667","Group5B":"2404574.6667","Group6B":"2739638.5000","Group7B":"5078547.5000","Group1C":"3035323.6667","Group2C":"8061903.3333","Group3C":"3092924.6667","Group4C":"2922559.6667","Group5C":"2813365.3333","Group6C":"5444678.6667","Group7C":"3795538.6667"},{"Metabolite":"2-oxoisocaproicacid","Group1B":"108390.5000","Group2B":"72992.8333","Group3B":"71886.8333","Group4B":"70315.8333","Group5B":"109658.1667","Group6B":"66437.1667","Group7B":"67753.0000","Group1C":"86543.6667","Group2C":"26415.3333","Group3C":"60830.6667","Group4C":"52972.3333","Group5C":"73860.3333","Group6C":"81458.0000","Group7C":"70861.6667"},{"Metabolite":"5-Aminopentanoicacid","Group1B":"378741.1667","Group2B":"277000.8333","Group3B":"180528.8333","Group4B":"215675.5000","Group5B":"343450.6667","Group6B":"214697.8333","Group7B":"244059.6667","Group1C":"388493.6667","Group2C":"96774.3333","Group3C":"207206.3333","Group4C":"212260.3333","Group5C":"239534.6667","Group6C":"225296.6667","Group7C":"306554.3333"},{"Metabolite":"5-Aminopentanoicacid-1.419143","Group1B":"48830.3333","Group2B":"19270.0000","Group3B":"19807.6667","Group4B":"19616.3333","Group5B":"29182.2500","Group6B":"35290.0000","Group7B":"25148.3333","Group1C":"14144.0000","Group2C":"","Group3C":"","Group4C":"14535.6667","Group5C":"","Group6C":"","Group7C":"6445.0000"},{"Metabolite":"Acetoaceticacid","Group1B":"319470.3333","Group2B":"313814.0000","Group3B":"304386.0000","Group4B":"275592.5000","Group5B":"318816.0000","Group6B":"263028.3333","Group7B":"283763.0000","Group1C":"157889.3333","Group2C":"122543.3333","Group3C":"138783.3333","Group4C":"151722.0000","Group5C":"148849.6667","Group6C":"149898.6667","Group7C":"160766.0000"},{"Metabolite":"a-hydroxybutyrate","Group1B":"1129218.7500","Group2B":"1055030.2500","Group3B":"510198.7500","Group4B":"309931.5000","Group5B":"900072.1667","Group6B":"958829.6000","Group7B":"238997.3333","Group1C":"99244.6667","Group2C":"333865.6667","Group3C":"165628.0000","Group4C":"140181.0000","Group5C":"138971.0000","Group6C":"311694.0000","Group7C":"102848.0000"},{"Metabolite":"beta-D-Fucose","Group1B":"6562.5000","Group2B":"","Group3B":"","Group4B":"","Group5B":"","Group6B":"","Group7B":"12188.0000","Group1C":"18411.5000","Group2C":"","Group3C":"12263.6667","Group4C":"22614.6667","Group5C":"29585.6667","Group6C":"21402.0000","Group7C":"26264.5000"},{"Metabolite":"Dihydroxyacetone(glycerone)","Group1B":"3534286.5000","Group2B":"2530330.6667","Group3B":"3548558.5000","Group4B":"2975987.1667","Group5B":"3186961.3333","Group6B":"2958080.8333","Group7B":"2247866.1667","Group1C":"703817.6667","Group2C":"","Group3C":"1557802.0000","Group4C":"1952608.5000","Group5C":"1514704.5000","Group6C":"1873186.0000","Group7C":"2513913.0000"},{"Metabolite":"Histidine","Group1B":"25547.6000","Group2B":"26767.5000","Group3B":"29624.3333","Group4B":"30856.6667","Group5B":"30918.5000","Group6B":"27438.6000","Group7B":"23787.5000","Group1C":"44931.6667","Group2C":"21077.3333","Group3C":"33860.6667","Group4C":"38758.0000","Group5C":"35270.0000","Group6C":"38355.0000","Group7C":"41025.3333"},{"Metabolite":"Leucine","Group1B":"225531.6667","Group2B":"178984.8333","Group3B":"123778.0000","Group4B":"140035.8333","Group5B":"237999.3333","Group6B":"144332.8333","Group7B":"169941.5000","Group1C":"174531.3333","Group2C":"43227.3333","Group3C":"123953.3333","Group4C":"115283.0000","Group5C":"135799.6667","Group6C":"158499.0000","Group7C":"140522.3333"},{"Metabolite":"Leucine-2.2727776","Group1B":"332266.8333","Group2B":"287586.1667","Group3B":"208793.1667","Group4B":"282313.5000","Group5B":"492962.1667","Group6B":"235868.6667","Group7B":"272438.5000","Group1C":"383702.3333","Group2C":"96762.6667","Group3C":"256262.0000","Group4C":"240917.6667","Group5C":"267549.3333","Group6C":"248818.3333","Group7C":"326280.6667"},{"Metabolite":"Pyroglutamicacid","Group1B":"198636.5000","Group2B":"114987.6667","Group3B":"90853.3333","Group4B":"147322.8333","Group5B":"143489.6667","Group6B":"107966.3333","Group7B":"105326.1667","Group1C":"149750.0000","Group2C":"99442.3333","Group3C":"225820.6667","Group4C":"113553.6667","Group5C":"98383.0000","Group6C":"79593.3333","Group7C":"305836.3333"},{"Metabolite":"sebacicacid","Group1B":"17087.6667","Group2B":"12664.0000","Group3B":"","Group4B":"","Group5B":"4657.0000","Group6B":"12208.0000","Group7B":"25886.0000","Group1C":"","Group2C":"","Group3C":"","Group4C":"","Group5C":"","Group6C":"","Group7C":""},{"Metabolite":"Uricacid","Group1B":"764245.1667","Group2B":"465643.6667","Group3B":"704712.0000","Group4B":"704125.1667","Group5B":"770225.1667","Group6B":"652526.3333","Group7B":"833009.3333","Group1C":"380947.3333","Group2C":"337591.3333","Group3C":"481943.0000","Group4C":"664879.3333","Group5C":"975895.3333","Group6C":"594321.6667","Group7C":"746442.0000"},{"Metabolite":"C5 H5 Cl N2 S","Group1B":"1","Group2B":"34100","Group3B":"38328","Group4B":"34949","Group5B":"1","Group6B":"34176","Group7B":"33065","Group1C":"32062","Group2C":"28061","Group3C":"35633","Group4C":"37153","Group5C":"31878","Group6C":"48840","Group7C":"41144"},{"Metabolite":"C8 H6 N4 O4 S3","Group1B":"15225","Group2B":"14350","Group3B":"1","Group4B":"20591","Group5B":"19687","Group6B":"20331","Group7B":"1","Group1C":"17589","Group2C":"1","Group3C":"18601","Group4C":"20517","Group5C":"20725","Group6C":"17546","Group7C":"15917"},{"Metabolite":"C8 H Cl N2 O3 S","Group1B":"59375","Group2B":"1","Group3B":"59060","Group4B":"57480","Group5B":"49935","Group6B":"56617","Group7B":"60050","Group1C":"1","Group2C":"50760","Group3C":"60516","Group4C":"1","Group5C":"60148","Group6C":"1","Group7C":"47796"},{"Metabolite":"C4 H Cl3 N2 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(glycerone)","Group1B":"1741365","Group2B":"77244","Group3B":"2255401","Group4B":"1829768","Group5B":"1731917","Group6B":"1953802","Group7B":"2070933","Group1C":"40524","Group2C":"1","Group3C":"1532736","Group4C":"1654965","Group5C":"1518705","Group6C":"1875522","Group7C":"1"},{"Metabolite":"Acetoacetic acid","Group1B":"140128","Group2B":"202550","Group3B":"172317","Group4B":"158550","Group5B":"173575","Group6B":"160751","Group7B":"151008","Group1C":"157989","Group2C":"124957","Group3C":"135202","Group4C":"144443","Group5C":"147904","Group6C":"164941","Group7C":"161209"},{"Metabolite":"C8 H20 N6 O","Group1B":"1","Group2B":"14614","Group3B":"14978","Group4B":"1","Group5B":"8766","Group6B":"1","Group7B":"1","Group1C":"1","Group2C":"1","Group3C":"1","Group4C":"1","Group5C":"1","Group6C":"1","Group7C":"1"},{"Metabolite":"C6 H13 N O3","Group1B":"15066","Group2B":"13464","Group3B":"10215","Group4B":"13331","Group5B":"12398","Group6B":"8739","Group7B":"14626","Group1C":"18507","Group2C":"8777","Group3C":"12087","Group4C":"17360","Group5C":"17566","Group6C":"9927","Group7C":"14803"},{"Metabolite":"C10 H14 N4 O6","Group1B":"1","Group2B":"7586","Group3B":"1","Group4B":"1","Group5B":"6629","Group6B":"1","Group7B":"1","Group1C":"5640","Group2C":"1","Group3C":"6960","Group4C":"1","Group5C":"6327","Group6C":"1","Group7C":"1"},{"Metabolite":"2-Butanone, 4-[6-(sulfooxy)-2-naphthalenyl]-","Group1B":"160983","Group2B":"315232","Group3B":"278344","Group4B":"352213","Group5B":"276054","Group6B":"168198","Group7B":"297564","Group1C":"229133","Group2C":"1","Group3C":"229718","Group4C":"311195","Group5C":"236534","Group6C":"317551","Group7C":"278550"},{"Metabolite":"C12 H25 N O3 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