{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000051","ANALYSIS_ID":"AN000087","VERSION":"1","CREATED_ON":"10-02-2015"},

"PROJECT":{"PROJECT_TITLE":"Biomarkers of Exposure to ARsenic (BEAR) study","PROJECT_TYPE":"Environmental exposure","PROJECT_SUMMARY":"The BEAR study has been established to assess the health effects associated with prenatal arsenic exposure during neonatal and early life. The study area is in Gómez Palacio, Durango, Mexico where women are exposed to levels of iAs in drinking water up to 236.0 ?g As/L.","INSTITUTE":"University of North Carolina at Chapel Hill","DEPARTMENT":"School of Public Health","LABORATORY":"Rebecca Fry Laboratory","LAST_NAME":"Fry","FIRST_NAME":"Rebecca","ADDRESS":"1213 Michael Hooker Research Center, 135 Dauer Drive, Campus Box 7431, Chapel Hill, NC 27599","EMAIL":"rfry@email.unc.edu","PHONE":"919-843-6864 ","FUNDING_SOURCE":"NIEHS"},

"STUDY":{"STUDY_TITLE":"Fetal metabolomic signature of exposure to iAs during pregnancy","STUDY_TYPE":"Metabolomics","STUDY_SUMMARY":"This metabolomics pilot study was aimed to identify a fetal metabolomic signature of exposure to iAs during pregnancy. Fetal cord blood serum was collected immediately after delivery from a saline cleaned umbilical cord using an anticoagulant-free vacutainer tube, after clot formation the tube was centrifuged at 1200 rpm and the serum was collected and stored at -70°C.  A subset of 50 cord serum samples were selected from the larger BEAR cohort to represent a wide range of iAs exposure as determined by iAs in drinking water (DW-iAs). The exposure during pregnancy was confirmed using U-tAs.  A total of 50 cord blood serum samples were used in the metabolomics analysis The samples included 25 newborns with lower maternal iAs exposure levels (DW < 25?g As/L, mean U-tAs=16 ?g/L) and 25 newborns with higher maternal iAs exposure levels (DW> 25?g As/L, mean U-tAs =107 ?g/L).","INSTITUTE":"RTI International","DEPARTMENT":"Systems and Translational Sciences (STS)","LABORATORY":"RTI RCMRC","LAST_NAME":"Sumner","FIRST_NAME":"Susan","ADDRESS":"3040 East Cornwallis Roadm Research Triangle Park, NC 27709, USA","EMAIL":"ssumner@rti.org","PHONE":"919-541-7479","NUM_GROUPS":"2","TOTAL_SUBJECTS":"50"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","AGE_OR_AGE_RANGE":"Infant","SPECIES_GROUP":"Human"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"C-003",
"Factors":{"As Exposure":"high"}
},
{
"Subject ID":"-",
"Sample ID":"C-004",
"Factors":{"As Exposure":"high"}
},
{
"Subject ID":"-",
"Sample ID":"C-005",
"Factors":{"As Exposure":"high"}
},
{
"Subject ID":"-",
"Sample ID":"C-006",
"Factors":{"As Exposure":"high"}
},
{
"Subject ID":"-",
"Sample ID":"C-007",
"Factors":{"As Exposure":"high"}
},
{
"Subject ID":"-",
"Sample ID":"C-018",
"Factors":{"As Exposure":"high"}
},
{
"Subject ID":"-",
"Sample ID":"C-024",
"Factors":{"As Exposure":"high"}
},
{
"Subject ID":"-",
"Sample ID":"C-026",
"Factors":{"As Exposure":"high"}
},
{
"Subject ID":"-",
"Sample ID":"C-031",
"Factors":{"As Exposure":"high"}
},
{
"Subject ID":"-",
"Sample ID":"C-058",
"Factors":{"As Exposure":"high"}
},
{
"Subject ID":"-",
"Sample ID":"C-059",
"Factors":{"As Exposure":"high"}
},
{
"Subject ID":"-",
"Sample ID":"C-062",
"Factors":{"As Exposure":"high"}
},
{
"Subject ID":"-",
"Sample ID":"C-071",
"Factors":{"As Exposure":"high"}
},
{
"Subject ID":"-",
"Sample ID":"C-074",
"Factors":{"As Exposure":"high"}
},
{
"Subject ID":"-",
"Sample ID":"C-104",
"Factors":{"As Exposure":"high"}
},
{
"Subject ID":"-",
"Sample ID":"C-116",
"Factors":{"As Exposure":"high"}
},
{
"Subject ID":"-",
"Sample ID":"C-117",
"Factors":{"As Exposure":"high"}
},
{
"Subject ID":"-",
"Sample ID":"C-120",
"Factors":{"As Exposure":"high"}
},
{
"Subject ID":"-",
"Sample ID":"C-132",
"Factors":{"As Exposure":"high"}
},
{
"Subject ID":"-",
"Sample ID":"C-133",
"Factors":{"As Exposure":"high"}
},
{
"Subject ID":"-",
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"Factors":{"As Exposure":"high"}
},
{
"Subject ID":"-",
"Sample ID":"C-164",
"Factors":{"As Exposure":"high"}
},
{
"Subject ID":"-",
"Sample ID":"C-187",
"Factors":{"As Exposure":"high"}
},
{
"Subject ID":"-",
"Sample ID":"C-189",
"Factors":{"As Exposure":"high"}
},
{
"Subject ID":"-",
"Sample ID":"C-200",
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},
{
"Subject ID":"-",
"Sample ID":"C-045",
"Factors":{"As Exposure":"low"}
},
{
"Subject ID":"-",
"Sample ID":"C-053",
"Factors":{"As Exposure":"low"}
},
{
"Subject ID":"-",
"Sample ID":"C-075",
"Factors":{"As Exposure":"low"}
},
{
"Subject ID":"-",
"Sample ID":"C-081",
"Factors":{"As Exposure":"low"}
},
{
"Subject ID":"-",
"Sample ID":"C-085",
"Factors":{"As Exposure":"low"}
},
{
"Subject ID":"-",
"Sample ID":"C-086",
"Factors":{"As Exposure":"low"}
},
{
"Subject ID":"-",
"Sample ID":"C-092",
"Factors":{"As Exposure":"low"}
},
{
"Subject ID":"-",
"Sample ID":"C-094",
"Factors":{"As Exposure":"low"}
},
{
"Subject ID":"-",
"Sample ID":"C-095",
"Factors":{"As Exposure":"low"}
},
{
"Subject ID":"-",
"Sample ID":"C-096",
"Factors":{"As Exposure":"low"}
},
{
"Subject ID":"-",
"Sample ID":"C-097",
"Factors":{"As Exposure":"low"}
},
{
"Subject ID":"-",
"Sample ID":"C-098",
"Factors":{"As Exposure":"low"}
},
{
"Subject ID":"-",
"Sample ID":"C-111",
"Factors":{"As Exposure":"low"}
},
{
"Subject ID":"-",
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"Factors":{"As Exposure":"low"}
},
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"Subject ID":"-",
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},
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"Factors":{"As Exposure":"low"}
},
{
"Subject ID":"-",
"Sample ID":"C-128",
"Factors":{"As Exposure":"low"}
},
{
"Subject ID":"-",
"Sample ID":"C-129",
"Factors":{"As Exposure":"low"}
},
{
"Subject ID":"-",
"Sample ID":"C-151",
"Factors":{"As Exposure":"low"}
},
{
"Subject ID":"-",
"Sample ID":"C-167",
"Factors":{"As Exposure":"low"}
},
{
"Subject ID":"-",
"Sample ID":"C-175",
"Factors":{"As Exposure":"low"}
},
{
"Subject ID":"-",
"Sample ID":"C-194",
"Factors":{"As Exposure":"low"}
},
{
"Subject ID":"-",
"Sample ID":"C-197",
"Factors":{"As Exposure":"low"}
},
{
"Subject ID":"-",
"Sample ID":"C-214",
"Factors":{"As Exposure":"low"}
},
{
"Subject ID":"-",
"Sample ID":"C-218",
"Factors":{"As Exposure":"low"}
},
{
"Subject ID":"-",
"Sample ID":"CBS-HighP-01R",
"Factors":{"As Exposure":"Pooled-High"}
},
{
"Subject ID":"-",
"Sample ID":"CBS-HighP-02",
"Factors":{"As Exposure":"Pooled-High"}
},
{
"Subject ID":"-",
"Sample ID":"CBS-LowP-01",
"Factors":{"As Exposure":"Pooled-Low"}
},
{
"Subject ID":"-",
"Sample ID":"CBS-LowP-02",
"Factors":{"As Exposure":"Pooled-Low"}
},
{
"Subject ID":"-",
"Sample ID":"CBS-TotalP-01R",
"Factors":{"As Exposure":"Pooled-Total"}
},
{
"Subject ID":"-",
"Sample ID":"CBS-TotalP-02",
"Factors":{"As Exposure":"Pooled-Total"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Fetal cord blood serum was collected immediately after delivery from a saline cleaned umbilical cord using an anticoagulant-free vacutainer tube, after clot formation the tube was centrifuged at 1200 rpm and the serum was collected and stored at -70°C.","SAMPLE_TYPE":"Cord Blood Serum","COLLECTION_LOCATION":"Gómez Palacio, Durango, Mexico"},

"TREATMENT":{"TREATMENT_SUMMARY":"-"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Fifty (50) µl of 0.9% NaCl solution containing 4mM sodium formate (Chemical Shift Indicator) and 0.2% NaN3 (to inhibit bacterial growth) in D2O was pipetted into each of the 50 serum samples (150 µl aliquots). Each 200 µl sample was vortexed for 30 seconds and transferred into 3mm NMR tubes (Bruker Bio-Spin, Germany). Pooled serum samples for each phenotype were made by combining 12 µl aliquots from each of the study samples in the phenotypic group (low and high) into two separate eppendorf tubes. A combined total pooled sample was also prepared by combining 6 µl aliquots from all samples into an eppendorf tube. The pooled samples were prepared as described above and were used as quality check (QC) samples.","SAMPLEPREP_PROTOCOL_FILENAME":"Fetal_Metabolomics_of_iAs_exposure_Metabolomics_Procedure.docx","PROCESSING_METHOD":"Dilution with D2O containing 0.9% NaCl and 4 mM Formate","PROCESSING_STORAGE_CONDITIONS":"On ice"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"-","INSTRUMENT_NAME":"-","COLUMN_NAME":"-"},

"ANALYSIS":{"LABORATORY_NAME":"RTI, DHMRI","ANALYSIS_TYPE":"NMR","ACQUISITION_DATE":"41367","SOFTWARE_VERSION":"TopSpin 3.0","OPERATOR_NAME":"Wimal Pathmasiri, Kevin Knagge","DETECTOR_TYPE":"NMR"},

"NM":{"INSTRUMENT_TYPE":"Bruker Avance III","NMR_EXPERIMENT_TYPE":"1D 1H","FIELD_FREQUENCY_LOCK":"Deuterium","STANDARD_CONCENTRATION":"1 mM","SPECTROMETER_FREQUENCY":"950 MHz","NMR_PROBE":"5 mm Inverse ATMA","NMR_SOLVENT":"D2O","NMR_TUBE_SIZE":"3 mm, 4 inches","SHIMMING_METHOD":"Topshim","PULSE_SEQUENCE":"cpmgpr1d","WATER_SUPPRESSION":"presat","PULSE_WIDTH":"8.06 s","POWER_LEVEL":"12.589W","RECEIVER_GAIN":"4","OFFSET_FREQUENCY":"4469.49 Hz","CHEMICAL_SHIFT_REF_CPD":"Formate","TEMPERATURE":"298 K","NUMBER_OF_SCANS":"256","DUMMY_SCANS":"16","RELAXATION_DELAY":"2 s","SPECTRAL_WIDTH":"19531.25 Hz","NUM_DATA_POINTS_ACQUIRED":"65523","REAL_DATA_POINTS":"65536","LINE_BROADENING":"0.5","ZERO_FILLING":"Yes","APODIZATION":"Lorentzian","BASELINE_CORRECTION_METHOD":"Polynomial","CHEMICAL_SHIFT_REF_STD":"Formate","INSTRUMENT_NAME":"Bruker Avance III"},

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