{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001295","ANALYSIS_ID":"AN002156","VERSION":"1","CREATED_ON":"December 22, 2019, 5:29 pm"},

"PROJECT":{"PROJECT_TITLE":"Estimating Platelet Mitochondrial Function in Patients with Sepsis","PROJECT_TYPE":"Quantitative NMR Metabolomics","PROJECT_SUMMARY":"Sepsis patients and ill controls admitted to the ED had matched whole blood (WB) and isolated platelet samples collected. The control group was chosen to represent an acutely ill 127 cohort of the same racial, sex, and age as the sepsis cohort. NMR was run on extracted WB and platelets to determine how the metabolome reflects mitochondrial function","INSTITUTE":"University of Michigan, University of Mississippi, University of Minnesota","DEPARTMENT":"Clinical Pharmacy (UMich); Emergency Medicine (UMiss)","LABORATORY":"Stringer NMR Metabolomics Laboratory","LAST_NAME":"McHugh","FIRST_NAME":"Cora","ADDRESS":"428 Church St, Ann Arbor, MI, 48103, USA","EMAIL":"mchughce@med.umich.edu","PHONE":"7343530164","FUNDING_SOURCE":"GM111400, K23GM113041","CONTRIBUTORS":"Kathleen Stringer, Mike Puskarich, Marc McCann"},

"STUDY":{"STUDY_TITLE":"Estimating Platelet Mitochondrial Function in Patients with Sepsis - WB NMRs (part-II)","STUDY_TYPE":"single timepoint","STUDY_SUMMARY":"Relationships between platelet mitochondrial oxygen consumption rates (mOCR) and metabolites in platelets as measured by quantitative 1H-NMR metabolomics in WB. Comparison of mitochondrial function and metabolomics in patients with sepsis and non-sepsis ED patients","INSTITUTE":"University of Michigan, University of Mississippi, University of Minnesota","DEPARTMENT":"Clinical Pharmacy (UMich); Emergency Medicine (UMiss)","LABORATORY":"Stringer NMR Metabolomics Laboratory","LAST_NAME":"McHugh","FIRST_NAME":"Cora","ADDRESS":"428 Church St, Ann Arbor, MI, 48103, USA","EMAIL":"mchughce@med.umich.edu","PHONE":"7343530164","NUM_GROUPS":"2","TOTAL_SUBJECTS":"26","NUM_MALES":"14","NUM_FEMALES":"12"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","AGE_OR_AGE_RANGE":"32-67","GENDER":"Male and female","HUMAN_RACE":"Caucasian (C) and African American (AA)","HUMAN_ETHNICITY":"non-hispanic","HUMAN_INCLUSION_CRITERIA":"Sepsis: 1) Suspected or confirmed infection; 2) Any two of four criteria of systemic inflammatory response in ED(18); 3) Age ≥ 18; 4) Lactate ≥ 2.0 mmol/L; 5) Enrollment within 2 hours of initiation of quantitative resuscitation protocol. Controls: admitted to the emergency department and had no medical conditions that required chronic administration of medication expected to affect platelet function (aspirin, PGY12 inhibitors, etc)","HUMAN_EXCLUSION_CRITERIA":"Exclusion criteria were:1) any primary diagnosis other than sepsis; 2) established Do Not Resuscitate status; 3) transferred from another hospital with sepsis therapy already initiated; 4) cardiopulmonary resuscitation (chest compression or defibrillation) prior to enrollment; 5) patient or legal representative unable to understand and sign informed consent."},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"C13H15",
"Sample ID":"233_42",
"Factors":{"Condition":"Control"},
"Additional sample data":{"Age":"61","Gender":"M","Race":"Caucasian","RAW_FILE_NAME":"233.42"}
},
{
"Subject ID":"HAPS03",
"Sample ID":"233_43",
"Factors":{"Condition":"Sepsis"},
"Additional sample data":{"Age":"59","Gender":"M","Race":"Caucasian","RAW_FILE_NAME":"233.43"}
},
{
"Subject ID":"HAPS19",
"Sample ID":"233_44",
"Factors":{"Condition":"Sepsis"},
"Additional sample data":{"Age":"38","Gender":"M","Race":"Caucasian","RAW_FILE_NAME":"233.44"}
},
{
"Subject ID":"HAPS16",
"Sample ID":"233_46",
"Factors":{"Condition":"Sepsis"},
"Additional sample data":{"Age":"43","Gender":"M","Race":"Caucasian","RAW_FILE_NAME":"233.46"}
},
{
"Subject ID":"C08H11",
"Sample ID":"233_47",
"Factors":{"Condition":"Control"},
"Additional sample data":{"Age":"55","Gender":"M","Race":"African-American","RAW_FILE_NAME":"233.47"}
},
{
"Subject ID":"HAPS24",
"Sample ID":"233_48",
"Factors":{"Condition":"Sepsis"},
"Additional sample data":{"Age":"69","Gender":"F","Race":"African-American","RAW_FILE_NAME":"233.48"}
},
{
"Subject ID":"HAPS28",
"Sample ID":"233_49",
"Factors":{"Condition":"Sepsis"},
"Additional sample data":{"Age":"54","Gender":"M","Race":"Caucasian","RAW_FILE_NAME":"233.49"}
},
{
"Subject ID":"HAPS26",
"Sample ID":"233_50",
"Factors":{"Condition":"Sepsis"},
"Additional sample data":{"Age":"49","Gender":"F","Race":"Caucasian","RAW_FILE_NAME":"233.50"}
},
{
"Subject ID":"C01H08",
"Sample ID":"233_51",
"Factors":{"Condition":"Control"},
"Additional sample data":{"Age":"29","Gender":"F","Race":"Caucasian","RAW_FILE_NAME":"233.51"}
},
{
"Subject ID":"C03H02",
"Sample ID":"233_52",
"Factors":{"Condition":"Control"},
"Additional sample data":{"Age":"56","Gender":"M","Race":"African-American","RAW_FILE_NAME":"233.52"}
},
{
"Subject ID":"C10H09",
"Sample ID":"233_54",
"Factors":{"Condition":"Control"},
"Additional sample data":{"Age":"56","Gender":"M","Race":"African-American","RAW_FILE_NAME":"233.54"}
},
{
"Subject ID":"HAPS14",
"Sample ID":"233_55",
"Factors":{"Condition":"Sepsis"},
"Additional sample data":{"Age":"39","Gender":"F","Race":"African-American","RAW_FILE_NAME":"233.55"}
},
{
"Subject ID":"HAPS25",
"Sample ID":"233_56",
"Factors":{"Condition":"Sepsis"},
"Additional sample data":{"Age":"70","Gender":"M","Race":"African-American","RAW_FILE_NAME":"233.56"}
},
{
"Subject ID":"HAPS10",
"Sample ID":"233_57",
"Factors":{"Condition":"Sepsis"},
"Additional sample data":{"Age":"55","Gender":"M","Race":"African-American","RAW_FILE_NAME":"233.57"}
},
{
"Subject ID":"HAPS27",
"Sample ID":"233_58",
"Factors":{"Condition":"Sepsis"},
"Additional sample data":{"Age":"24","Gender":"F","Race":"African-American","RAW_FILE_NAME":"233.58"}
},
{
"Subject ID":"HAPS22",
"Sample ID":"233_59",
"Factors":{"Condition":"Sepsis"},
"Additional sample data":{"Age":"52","Gender":"M","Race":"Caucasian","RAW_FILE_NAME":"233.59"}
},
{
"Subject ID":"HAPS15",
"Sample ID":"233_60",
"Factors":{"Condition":"Sepsis"},
"Additional sample data":{"Age":"68","Gender":"M","Race":"Caucasian","RAW_FILE_NAME":"233.60"}
},
{
"Subject ID":"C11H21",
"Sample ID":"233_61",
"Factors":{"Condition":"Control"},
"Additional sample data":{"Age":"33","Gender":"F","Race":"African-American","RAW_FILE_NAME":"233.61"}
},
{
"Subject ID":"C12H05",
"Sample ID":"233_62",
"Factors":{"Condition":"Control"},
"Additional sample data":{"Age":"64","Gender":"F","Race":"African-American","RAW_FILE_NAME":"233.62"}
},
{
"Subject ID":"HAPS02",
"Sample ID":"233_63",
"Factors":{"Condition":"Sepsis"},
"Additional sample data":{"Age":"55","Gender":"M","Race":"African-American","RAW_FILE_NAME":"233.63"}
},
{
"Subject ID":"HAPS05",
"Sample ID":"233_64",
"Factors":{"Condition":"Sepsis"},
"Additional sample data":{"Age":"73","Gender":"F","Race":"African-American","RAW_FILE_NAME":"233.64"}
},
{
"Subject ID":"HAPS04",
"Sample ID":"233_66",
"Factors":{"Condition":"Sepsis"},
"Additional sample data":{"Age":"78","Gender":"M","Race":"African-American","RAW_FILE_NAME":"233.66"}
},
{
"Subject ID":"C09H13",
"Sample ID":"233_67",
"Factors":{"Condition":"Control"},
"Additional sample data":{"Age":"30","Gender":"F","Race":"African-American","RAW_FILE_NAME":"233.67"}
},
{
"Subject ID":"HAPS29",
"Sample ID":"233_68",
"Factors":{"Condition":"Sepsis"},
"Additional sample data":{"Age":"62","Gender":"F","Race":"Caucasian","RAW_FILE_NAME":"233.68"}
},
{
"Subject ID":"C14H27",
"Sample ID":"233_69",
"Factors":{"Condition":"Control"},
"Additional sample data":{"Age":"24","Gender":"F","Race":"African-American","RAW_FILE_NAME":"233.69"}
},
{
"Subject ID":"C15H30",
"Sample ID":"233_70",
"Factors":{"Condition":"Control"},
"Additional sample data":{"Age":"36","Gender":"M","Race":"African-American","RAW_FILE_NAME":"233.70"}
},
{
"Subject ID":"C16H19",
"Sample ID":"233_71",
"Factors":{"Condition":"Control"},
"Additional sample data":{"Age":"37","Gender":"M","Race":"Caucasian","RAW_FILE_NAME":"233.71"}
},
{
"Subject ID":"HAPS21",
"Sample ID":"233_72",
"Factors":{"Condition":"Sepsis"},
"Additional sample data":{"Age":"28","Gender":"F","Race":"African-American","RAW_FILE_NAME":"233.72"}
},
{
"Subject ID":"HAPS18",
"Sample ID":"233_74",
"Factors":{"Condition":"Sepsis"},
"Additional sample data":{"Age":"67","Gender":"F","Race":"Caucasian","RAW_FILE_NAME":"233.74"}
},
{
"Subject ID":"HAPS30",
"Sample ID":"233_75",
"Factors":{"Condition":"Sepsis"},
"Additional sample data":{"Age":"32","Gender":"M","Race":"African-American","RAW_FILE_NAME":"233.75"}
},
{
"Subject ID":"C02H03",
"Sample ID":"233_76",
"Factors":{"Condition":"Control"},
"Additional sample data":{"Age":"53","Gender":"M","Race":"Caucasian","RAW_FILE_NAME":"233.76"}
},
{
"Subject ID":"HAPS09",
"Sample ID":"233_77",
"Factors":{"Condition":"Sepsis"},
"Additional sample data":{"Age":"66","Gender":"M","Race":"African-American","RAW_FILE_NAME":"233.77"}
},
{
"Subject ID":"C07H06",
"Sample ID":"233_78",
"Factors":{"Condition":"Control"},
"Additional sample data":{"Age":"53","Gender":"M","Race":"African-American","RAW_FILE_NAME":"233.78"}
},
{
"Subject ID":"HAPS12",
"Sample ID":"233_79",
"Factors":{"Condition":"Sepsis"},
"Additional sample data":{"Age":"67","Gender":"M","Race":"African-American","RAW_FILE_NAME":"233.79"}
},
{
"Subject ID":"C06H14",
"Sample ID":"233_80",
"Factors":{"Condition":"Control"},
"Additional sample data":{"Age":"35","Gender":"F","Race":"African-American","RAW_FILE_NAME":"233.80"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"WB samples (12 mL each) were collected by direct venipuncture or from an indwelling line into K2 EDTA-containing tubes. Samples were flash frozen and stored at -80C.","SAMPLE_TYPE":"Blood (whole)","COLLECTION_METHOD":"direct venipuncture or indwelling line","COLLECTION_FREQUENCY":"once","VOLUMEORAMOUNT_COLLECTED":"12mL","STORAGE_CONDITIONS":"-80℃","COLLECTION_VIALS":"K2 EDTA-containing Vacutainer tubes (BD 134367863; Becton-Dickinson, Franklin Lakes, NJ USA)","ADDITIVES":"K2 EDTA"},

"TREATMENT":{"TREATMENT_SUMMARY":"No treatment. Sepsis and non-sepsis controls had platelets isolated. Mitochondrial function was measured via mitochondrial oxygen consumption (mOCR)"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Methanol:cholorform precipitation","SAMPLEPREP_PROTOCOL_ID":"WB methanol Chlorform precipitation","SAMPLEPREP_PROTOCOL_FILENAME":"233.5.1_-_HAPS_WB_MeOHCHCl3_Precipitation","PROCESSING_METHOD":"precipitation","PROCESSING_STORAGE_CONDITIONS":"On ice","EXTRACTION_METHOD":"Methanol chloroform precipitation","EXTRACT_ENRICHMENT":"Lyophilization","EXTRACT_STORAGE":"-80℃","SAMPLE_RESUSPENSION":"500uL 50mM sodium phosphate buffer in D2O","SAMPLE_SPIKING":"4.99 mM DSS internal standard"},

"ANALYSIS":{"ACQUISITION_DATE":"04/05/2018, 04/09/2018, 04/10/2018"},

"NM":{"INSTRUMENT_NAME":"Bruker 18.8 Tesla (800 MHz) NMR spectrometer ascend","INSTRUMENT_TYPE":"FT-NMR","NMR_EXPERIMENT_TYPE":"1D-1H","NMR_COMMENTS":"Arrayed for water saturation frequency and 90deg. pulse width for each sample","STANDARD_CONCENTRATION":"10% (~0.5mM)","SPECTROMETER_FREQUENCY":"800 MHz","NMR_PROBE":"Triple resonance inverse detection TCI cryoprobe","NMR_SOLVENT":"D20","NMR_TUBE_SIZE":"5mm","SHIMMING_METHOD":"Auto shim (gradient shimming)","PULSE_SEQUENCE":"noesygppr1d","WATER_SUPPRESSION":"saturation at 80 Hz induced field strength","PULSE_WIDTH":"5.5ms","OFFSET_FREQUENCY":"around -178Hz","PRESATURATION_POWER_LEVEL":"80db","CHEMICAL_SHIFT_REF_CPD":"DSS-d6","TEMPERATURE":"25","NUMBER_OF_SCANS":"32"},

"NMR_METABOLITE_DATA":{
"Units":"μM",

"Data":[{"Metabolite":"2-Hydroxybutyrate","233_42":"61.80523256","233_43":"80.53571429","233_44":"122.869898","233_46":"80.24107143","233_47":"24.9375","233_48":"29.91253644","233_49":"98.24534161","233_50":"47.98469388","233_51":"36.08156028","233_52":"27.78645833","233_54":"17.92","233_55":"31.90670554","233_56":"196.8","233_57":"92.1975","233_58":"184.395","233_59":"129.96","233_60":"57.475","233_61":"36.1625","233_62":"36.5170068","233_63":"97.74285714","233_64":"65.47521866","233_66":"39.28571429","233_67":"52.8","233_68":"60.5625","233_69":"17.39375","233_70":"33.06","233_71":"64.8375","233_72":"48.165","233_74":"85.06377551","233_75":"49.24489796","233_76":"48.98639456","233_77":"55.4325","233_78":"42.75","233_79":"163.1895044","233_80":"31.98979592"},{"Metabolite":"2-Oxoisocaproate","233_42":"21.54069767","233_43":"18.49702381","233_44":"16.72193878","233_46":"11.53571429","233_47":"10.9725","233_48":"8.309037901","233_49":"11.15217391","233_50":"14.45153061","233_51":"16.96808511","233_52":"12.31770833","233_54":"10.304","233_55":"10.303207","233_56":"35.68","233_57":"12.9675","233_58":"30.6375","233_59":"16.302","233_60":"5.9125","233_61":"12.7875","233_62":"9.727891156","233_63":"8.642857143","233_64":"9.638483965","233_66":"9.271428571","233_67":"11.6875","233_68":"13.395","233_69":"8.3375","233_70":"10.76666667","233_71":"14.6775","233_72":"13.2525","233_74":"11.19642857","233_75":"9.306122449","233_76":"7.496598639","233_77":"10.4025","233_78":"18.32142857","233_79":"3.822157434","233_80":"10.32397959"},{"Metabolite":"3-Hydroxybutyrate","233_42":"95.27616279","233_43":"75.13392857","233_44":"406.4158163","233_46":"402.0535714","233_47":"57.285","233_48":"46.36443149","233_49":"113.6459627","233_50":"37.18112245","233_51":"25.35460993","233_52":"32.79947917","233_54":"","233_55":"20.60641399","233_56":"126.08","233_57":"1084.8525","233_58":"218.88","233_59":"150.708","233_60":"80.1625","233_61":"98.5875","233_62":"53.1292517","233_63":"659.6857143","233_64":"54.17492711","233_66":"18.85714286","233_67":"271.15","233_68":"41.895","233_69":"18.1125","233_70":"21.02666667","233_71":"167.58","233_72":"370.6425","233_74":"29.80867347","233_75":"215.494898","233_76":"166.3469388","233_77":"87.78","233_78":"25.30102041","233_79":"9.139941691","233_80":""},{"Metabolite":"ADP","233_42":"137.3633721","233_43":"54.3452381","233_44":"52.78316327","233_46":"138.5982143","233_47":"80.37","233_48":"75.6122449","233_49":"143.2080745","233_50":"62.85714286","233_51":"92.64184397","233_52":"80.92447917","233_54":"106.176","233_55":"47.02915452","233_56":"51.52","233_57":"69.9675","233_58":"20.0925","233_59":"99.522","233_60":"48.125","233_61":"66.55","233_62":"82.01360544","233_63":"43.21428571","233_64":"73.6180758","233_66":"104.8142857","233_67":"80.575","233_68":"91.0575","233_69":"106.375","233_70":"110.4533333","233_71":"127.11","233_72":"114","233_74":"117.7806122","233_75":"76","233_76":"105.5986395","233_77":"60.5625","233_78":"39.84183673","233_79":"56.66763848","233_80":"56.27295918"},{"Metabolite":"AMP","233_42":"50.37209302","233_43":"36.17559524","233_44":"8.724489796","233_46":"32.91071429","233_47":"34.77","233_48":"29.74635569","233_49":"100.5465839","233_50":"34.375","233_51":"38.22695035","233_52":"36.953125","233_54":"31.06133333","233_55":"18.11370262","233_56":"22.88","233_57":"47.595","233_58":"30.21","233_59":"45.258","233_60":"32.725","233_61":"23.2375","233_62":"31.72789116","233_63":"9.9","233_64":"43.87172012","233_66":"31.9","233_67":"35.475","233_68":"16.815","233_69":"22.425","233_70":"13.80666667","233_71":"15.8175","233_72":"77.805","233_74":"57.29081633","233_75":"48.56632653","233_76":"67.72789116","233_77":"36.0525","233_78":"54.09183673","233_79":"52.84548105","233_80":"71.10459184"},{"Metabolite":"ATP","233_42":"248.2151163","233_43":"190.6994048","233_44":"253.8826531","233_46":"277.875","233_47":"225.2925","233_48":"226.6705539","233_49":"285.1770186","233_50":"207.7933673","233_51":"229.5567376","233_52":"253.3723958","233_54":"252.672","233_55":"179.6413994","233_56":"174.24","233_57":"119.13","233_58":"34.3425","233_59":"243.96","233_60":"141.4875","233_61":"186.45","233_62":"224.7891156","233_63":"200.5142857","233_64":"146.2390671","233_66":"217.4857143","233_67":"109.3125","233_68":"163.7325","233_69":"222.8125","233_70":"171.5066667","233_71":"252.0825","233_72":"251.94","233_74":"266.9693878","233_75":"219.4693878","233_76":"356.2176871","233_77":"145.7775","233_78":"230.0357143","233_79":"221.0204082","233_80":"174.9260204"},{"Metabolite":"Acetate","233_42":"58.49127907","233_43":"37.32142857","233_44":"35.33418367","233_46":"90.58928571","233_47":"55.86","233_48":"54.67346939","233_49":"59.30124224","233_50":"42.93367347","233_51":"42.90780142","233_52":"29.36197917","233_54":"49.728","233_55":"45.20116618","233_56":"40.64","233_57":"81.6525","233_58":"39.1875","233_59":"34.656","233_60":"93.775","233_61":"48.125","233_62":"34.72108844","233_63":"35.35714286","23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}

}