{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000418","ANALYSIS_ID":"AN000660","VERSION":"1","CREATED_ON":"July 12, 2016, 4:54 pm"},

"PROJECT":{"PROJECT_TITLE":"The role of CFTR in the regulation of intrinsic defense mechanisms of exocrine secretions","PROJECT_SUMMARY":"This study was designed as a pilot to determine if the concentrations of selected ions in salivary gland secretions were influenced by the absence of CFTR on the apical surfaces of glandular cells and ductal epithelia. To this end, five cystic fibrosis children homozygous for Phe508 were to be recruited with their heterozygous non-CF mothers. Unstimulated glandular secretions to include parotid and submandibular/sublingual saliva samples as well as whole, mixed saliva collected with masticatory stimulation were to be collected from the child and the mother and analyzed for nitrate (NO3), nitrite (NO2), bicarbonate (HCO3), thiocyanate (SCN), reduced and oxidized glutathione (GSH and GSSG) and buffering capacity (pH before and after addition of HCl to 3.75mN). For adaptation and development of the assays to a microtiter format, saliva samples were collected from non-CF control subjects initially to optimize the assays recognizing that the volumes for analyses would be small. The values obtained with these non-CF control samples were also compared to that of the homozygous and heterozygous CF subjects. As residual volume permits, these samples will be further analyzed for metabolic constituent profiles.","INSTITUTE":"University of North Carolina","DEPARTMENT":"School of Dentistry","LAST_NAME":"Arnold","FIRST_NAME":"Roland","ADDRESS":"385 S Columbia Street, Chapel Hill, NC 27599","EMAIL":"roland_arnold@unc.edu","PHONE":"919-537-3165"},

"STUDY":{"STUDY_TITLE":"The role of CFTR in the regulation of intrinsic defense mechanisms of exocrine secretions","STUDY_SUMMARY":"This study was designed as a pilot to determine if the concentrations of selected ions in salivary gland secretions were influenced by the absence of CFTR on the apical surfaces of glandular cells and ductal epithelia. To this end, five cystic fibrosis children homozygous for Phe508 were to be recruited with their heterozygous non-CF mothers. For adaptation and development of the assays to a microtiter format, saliva samples were collected from non-CF control subjects initially to optimize the assays recognizing that the volumes for analyses would be small. The values obtained with these non-CF control samples were also compared to that of the homozygous and heterozygous CF subjects. As residual volume permits, these samples will be further analyzed for metabolic constituent profiles.","INSTITUTE":"RTI International","DEPARTMENT":"RCMRC","LAST_NAME":"Sumner","FIRST_NAME":"Susan","ADDRESS":"3040 E Cornwallis Road, Research Triangle Park, NC 27709","EMAIL":"ssumner@rti.org","PHONE":"919-541-7479","NUM_GROUPS":"3","TOTAL_SUBJECTS":"22","NUM_MALES":"10","NUM_FEMALES":"12"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","GENDER":"Male/Female"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"S_17",
"Factors":{"Group":"CF"},
"Additional sample data":{"Gender":"F","Race/Ethnicity":"C","Age":"8"}
},
{
"Subject ID":"-",
"Sample ID":"S_8",
"Factors":{"Group":"NCF"},
"Additional sample data":{"Gender":"M","Race/Ethnicity":"C","Age":"67"}
},
{
"Subject ID":"-",
"Sample ID":"S_9",
"Factors":{"Group":"NCF"},
"Additional sample data":{"Gender":"M","Race/Ethnicity":"C","Age":"28"}
},
{
"Subject ID":"-",
"Sample ID":"S_19",
"Factors":{"Group":"MOM"},
"Additional sample data":{"Gender":"F","Race/Ethnicity":"C","Age":"37"}
},
{
"Subject ID":"-",
"Sample ID":"S_2",
"Factors":{"Group":"NCF"},
"Additional sample data":{"Gender":"F","Race/Ethnicity":"C","Age":"59"}
},
{
"Subject ID":"-",
"Sample ID":"S_7",
"Factors":{"Group":"NCF"},
"Additional sample data":{"Gender":"F","Race/Ethnicity":"C","Age":"26"}
},
{
"Subject ID":"-",
"Sample ID":"S_23",
"Factors":{"Group":"MOM"},
"Additional sample data":{"Gender":"F","Race/Ethnicity":"C","Age":"54"}
},
{
"Subject ID":"-",
"Sample ID":"S_18",
"Factors":{"Group":"CF"},
"Additional sample data":{"Gender":"F","Race/Ethnicity":"C","Age":"28"}
},
{
"Subject ID":"-",
"Sample ID":"S_13",
"Factors":{"Group":"NCF"},
"Additional sample data":{"Gender":"F","Race/Ethnicity":"C","Age":"33"}
},
{
"Subject ID":"-",
"Sample ID":"S_20",
"Factors":{"Group":"MOM"},
"Additional sample data":{"Gender":"F","Race/Ethnicity":"C","Age":"55"}
},
{
"Subject ID":"-",
"Sample ID":"S_12",
"Factors":{"Group":"NCF"},
"Additional sample data":{"Gender":"M","Race/Ethnicity":"C","Age":"70"}
},
{
"Subject ID":"-",
"Sample ID":"S_5",
"Factors":{"Group":"NCF"},
"Additional sample data":{"Gender":"M","Race/Ethnicity":"C","Age":"69"}
},
{
"Subject ID":"-",
"Sample ID":"S_22",
"Factors":{"Group":"MOM"},
"Additional sample data":{"Gender":"F","Race/Ethnicity":"C","Age":"33"}
},
{
"Subject ID":"-",
"Sample ID":"S_14",
"Factors":{"Group":"CF"},
"Additional sample data":{"Gender":"M","Race/Ethnicity":"C","Age":"12"}
},
{
"Subject ID":"-",
"Sample ID":"S_6",
"Factors":{"Group":"NCF"},
"Additional sample data":{"Gender":"F","Race/Ethnicity":"C","Age":"30"}
},
{
"Subject ID":"-",
"Sample ID":"S_4",
"Factors":{"Group":"NCF"},
"Additional sample data":{"Gender":"M","Race/Ethnicity":"C","Age":"66"}
},
{
"Subject ID":"-",
"Sample ID":"S_16",
"Factors":{"Group":"CF"},
"Additional sample data":{"Gender":"M","Race/Ethnicity":"C","Age":"11"}
},
{
"Subject ID":"-",
"Sample ID":"S_3",
"Factors":{"Group":"NCF"},
"Additional sample data":{"Gender":"M","Race/Ethnicity":"NA","Age":"54"}
},
{
"Subject ID":"-",
"Sample ID":"S_21",
"Factors":{"Group":"MOM"},
"Additional sample data":{"Gender":"F","Race/Ethnicity":"C","Age":"39"}
},
{
"Subject ID":"-",
"Sample ID":"S_1",
"Factors":{"Group":"NCF"},
"Additional sample data":{"Gender":"F","Race/Ethnicity":"A","Age":"27"}
},
{
"Subject ID":"-",
"Sample ID":"S_11",
"Factors":{"Group":"NCF"},
"Additional sample data":{"Gender":"M","Race/Ethnicity":"C","Age":"55"}
},
{
"Subject ID":"-",
"Sample ID":"S_15",
"Factors":{"Group":"CF"},
"Additional sample data":{"Gender":"M","Race/Ethnicity":"C","Age":"29"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Human saliva was collected from patients with Cystic Fibrosis along with their heterozygous non-CF mothers,and non-CF control subjects."},

"TREATMENT":{"TREATMENT_SUMMARY":"None"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Aliquots of 150 µL human saliva were mixed with 0.600 mL of degassed 3:3:2 Acetonitrile:Isopropanol:Water solution by vortex mixer then centrifuged. Supernatant recovered and evaporated to dryness on speed vac. Formation of methoximes by adding 10µL of 40mg/mL MeOx in pyridine to each sample. Placed onto Thermomixer for 90 min at 30⁰C. Then FAME retention index markers and MSTFA added to each sample for derivatization step. Samples returned to Thermomixer for 45 min at 70⁰C."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"Leco Pegasus 4D GC","COLUMN_NAME":"Restek Rtx-5Sil MS (30 x 0.25mm, 0.25um)","FLOW_GRADIENT":"constant flow","FLOW_RATE":"1ml/min","COLUMN_PRESSURE":"12.8psi","INJECTION_TEMPERATURE":"250C","RETENTION_INDEX":"FAME markers C8-C30"},

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

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Leco Pegasus 4D GCxGC TOF","INSTRUMENT_TYPE":"GC x GC-TOF","MS_TYPE":"EI","ION_MODE":"POSITIVE"},

"MS_METABOLITE_DATA":{
"Units":"Intensity",

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