{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000467","ANALYSIS_ID":"AN000730","VERSION":"1","CREATED_ON":"September 12, 2016, 2:18 pm"},

"PROJECT":{"PROJECT_TITLE":"Metabolomics of Saliva Samples Obtained from Subjects with Diabetes","PROJECT_SUMMARY":"Over 20 millions of people suffer from diabetes and a quarter of them have no knowledge of their diabetic condition. Even though, monitoring blood sugar is commonly used to diagnose and monitor the progression of diabetes, it is not the most reliable tool. Measuring serum hemoglobin A1C is the most reliable tool in diagnosing and monitoring diabetes but requires laboratory support and professional interpretation. In this research, were are investigating the metabolic profile changes associated with well- and poorly-controlled type 1 and 2 diabetes and if there are distinct metabolite compounds that may be associated with glycemic control.","INSTITUTE":"University of North Carolina at Chapel Hill","DEPARTMENT":"Department of Prosthodontics","LAST_NAME":"Bencharit","FIRST_NAME":"Sompop","ADDRESS":"342 Brauer Hall, Department of Prosthodontics, Chapel Hill, NC 27599-7450","EMAIL":"Sompop_Bencharit@unc.edu","PHONE":"919-537-3861"},

"STUDY":{"STUDY_TITLE":"Metabolomics of Saliva Samples Obtained from Subjects with Diabetes","STUDY_SUMMARY":"In this research, were are investigating the metabolic profile changes associated with well- and poorly-controlled type 1 and 2 diabetes and if there are distinct metabolite compounds that may be associated with glycemic control. The PI of the study collected whole unstimulated saliva samples were from subjects with well- and poorly-controlled type 1 and type 2 diabetes. Subjects were selected based on the level of A1C (<7= well-controlled and >7 = poorly controlled). Saliva samples were shipped to RTI RCMRC for a broad spectrum reverse phase metabolomics analysis.","INSTITUTE":"RTI International","DEPARTMENT":"Discovery-Sciences-Technology (DST)","LABORATORY":"RTI Regional Comprehensive Metabolomics Resource Core (RTI 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":"4","TOTAL_SUBJECTS":"40"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"S_110",
"Factors":{"DM Type":"1","A1C Category":"Well Controlled"},
"Additional sample data":{"A1C":"5.6","Positive Raw Data File Names":"POS_S_110"}
},
{
"Subject ID":"-",
"Sample ID":"S_153",
"Factors":{"DM Type":"2","A1C Category":"Well Controlled"},
"Additional sample data":{"A1C":"6.1","Positive Raw Data File Names":"POS_S_153"}
},
{
"Subject ID":"-",
"Sample ID":"S_51",
"Factors":{"DM Type":"1","A1C Category":"Well Controlled"},
"Additional sample data":{"A1C":"6.5","Positive Raw Data File Names":"POS_S_51"}
},
{
"Subject ID":"-",
"Sample ID":"S_126",
"Factors":{"DM Type":"2","A1C Category":"Poorly Controlled"},
"Additional sample data":{"A1C":"8.8","Positive Raw Data File Names":"POS_S_126"}
},
{
"Subject ID":"-",
"Sample ID":"S_73",
"Factors":{"DM Type":"2","A1C Category":"Well Controlled"},
"Additional sample data":{"A1C":"6.5","Positive Raw Data File Names":"POS_S_73"}
},
{
"Subject ID":"-",
"Sample ID":"S_94",
"Factors":{"DM Type":"1","A1C Category":"Well Controlled"},
"Additional sample data":{"A1C":"6.1","Positive Raw Data File Names":"POS_S_94"}
},
{
"Subject ID":"-",
"Sample ID":"S_109",
"Factors":{"DM Type":"1","A1C Category":"Well Controlled"},
"Additional sample data":{"A1C":"6.4","Positive Raw Data File Names":"POS_S_109"}
},
{
"Subject ID":"-",
"Sample ID":"S_62",
"Factors":{"DM Type":"1","A1C Category":"Well Controlled"},
"Additional sample data":{"A1C":"6.6","Positive Raw Data File Names":"POS_S_62"}
},
{
"Subject ID":"-",
"Sample ID":"S_65",
"Factors":{"DM Type":"2","A1C Category":"Poorly Controlled"},
"Additional sample data":{"A1C":"9.7","Positive Raw Data File Names":"POS_S_65"}
},
{
"Subject ID":"-",
"Sample ID":"S_21",
"Factors":{"DM Type":"2","A1C Category":"Poorly Controlled"},
"Additional sample data":{"A1C":"10.2","Positive Raw Data File Names":"POS_S_21"}
},
{
"Subject ID":"-",
"Sample ID":"S_96",
"Factors":{"DM Type":"2","A1C Category":"Poorly Controlled"},
"Additional sample data":{"A1C":"8.7","Positive Raw Data File Names":"POS_S_96"}
},
{
"Subject ID":"-",
"Sample ID":"S_93",
"Factors":{"DM Type":"2","A1C Category":"Well Controlled"},
"Additional sample data":{"A1C":"6","Positive Raw Data File Names":"POS_S_93"}
},
{
"Subject ID":"-",
"Sample ID":"S_9",
"Factors":{"DM Type":"1","A1C Category":"Well Controlled"},
"Additional sample data":{"A1C":"6.6","Positive Raw Data File Names":"POS_S_9"}
},
{
"Subject ID":"-",
"Sample ID":"S_130",
"Factors":{"DM Type":"2","A1C Category":"Well Controlled"},
"Additional sample data":{"A1C":"6.4","Positive Raw Data File Names":"POS_S_130"}
},
{
"Subject ID":"-",
"Sample ID":"S_75",
"Factors":{"DM Type":"1","A1C Category":"Poorly Controlled"},
"Additional sample data":{"A1C":"9.1","Positive Raw Data File Names":"POS_S_75"}
},
{
"Subject ID":"-",
"Sample ID":"S_32",
"Factors":{"DM Type":"2","A1C Category":"Poorly Controlled"},
"Additional sample data":{"A1C":"8.8","Positive Raw Data File Names":"POS_S_32"}
},
{
"Subject ID":"-",
"Sample ID":"S_76",
"Factors":{"DM Type":"2","A1C Category":"Poorly Controlled"},
"Additional sample data":{"A1C":"10.1","Positive Raw Data File Names":"POS_S_76"}
},
{
"Subject ID":"-",
"Sample ID":"S_47",
"Factors":{"DM Type":"1","A1C Category":"Poorly Controlled"},
"Additional sample data":{"A1C":"8.4","Positive Raw Data File Names":"POS_S_47"}
},
{
"Subject ID":"-",
"Sample ID":"S_22",
"Factors":{"DM Type":"1","A1C Category":"Well Controlled"},
"Additional sample data":{"A1C":"6.7","Positive Raw Data File Names":"POS_S_22"}
},
{
"Subject ID":"-",
"Sample ID":"S_85",
"Factors":{"DM Type":"1","A1C Category":"Poorly Controlled"},
"Additional sample data":{"A1C":"8.5","Positive Raw Data File Names":"POS_S_85"}
},
{
"Subject ID":"-",
"Sample ID":"S_27",
"Factors":{"DM Type":"2","A1C Category":"Poorly Controlled"},
"Additional sample data":{"A1C":"10.7","Positive Raw Data File Names":"POS_S_27"}
},
{
"Subject ID":"-",
"Sample ID":"S_95",
"Factors":{"DM Type":"1","A1C Category":"Poorly Controlled"},
"Additional sample data":{"A1C":"8.4","Positive Raw Data File Names":"POS_S_95"}
},
{
"Subject ID":"-",
"Sample ID":"S_140",
"Factors":{"DM Type":"1","A1C Category":"Poorly Controlled"},
"Additional sample data":{"A1C":"14","Positive Raw Data File Names":"POS_S_140"}
},
{
"Subject ID":"-",
"Sample ID":"S_106",
"Factors":{"DM Type":"2","A1C Category":"Well Controlled"},
"Additional sample data":{"A1C":"6","Positive Raw Data File Names":"POS_S_106"}
},
{
"Subject ID":"-",
"Sample ID":"S_54",
"Factors":{"DM Type":"2","A1C Category":"Well Controlled"},
"Additional sample data":{"A1C":"6.1","Positive Raw Data File Names":"POS_S_54"}
},
{
"Subject ID":"-",
"Sample ID":"S_45",
"Factors":{"DM Type":"2","A1C Category":"Poorly Controlled"},
"Additional sample data":{"A1C":"8.9","Positive Raw Data File Names":"POS_S_45"}
},
{
"Subject ID":"-",
"Sample ID":"S_107",
"Factors":{"DM Type":"2","A1C Category":"Poorly Controlled"},
"Additional sample data":{"A1C":"8.5","Positive Raw Data File Names":"POS_S_107"}
},
{
"Subject ID":"-",
"Sample ID":"S_103",
"Factors":{"DM Type":"1","A1C Category":"Poorly Controlled"},
"Additional sample data":{"A1C":"11.1","Positive Raw Data File Names":"POS_S_103"}
},
{
"Subject ID":"-",
"Sample ID":"S_1",
"Factors":{"DM Type":"1","A1C Category":"Well Controlled"},
"Additional sample data":{"A1C":"5.6","Positive Raw Data File Names":"POS_S_1"}
},
{
"Subject ID":"-",
"Sample ID":"S_151",
"Factors":{"DM Type":"2","A1C Category":"Poorly Controlled"},
"Additional sample data":{"A1C":"8.5","Positive Raw Data File Names":"POS_S_151"}
},
{
"Subject ID":"-",
"Sample ID":"S_67",
"Factors":{"DM Type":"1","A1C Category":"Poorly Controlled"},
"Additional sample data":{"A1C":"14","Positive Raw Data File Names":"POS_S_67"}
},
{
"Subject ID":"-",
"Sample ID":"S_46",
"Factors":{"DM Type":"1","A1C Category":"Well Controlled"},
"Additional sample data":{"A1C":"6.2","Positive Raw Data File Names":"POS_S_46"}
},
{
"Subject ID":"-",
"Sample ID":"S_137",
"Factors":{"DM Type":"1","A1C Category":"Poorly Controlled"},
"Additional sample data":{"A1C":"8.3","Positive Raw Data File Names":"POS_S_137"}
},
{
"Subject ID":"-",
"Sample ID":"S_87",
"Factors":{"DM Type":"1","A1C Category":"Poorly Controlled"},
"Additional sample data":{"A1C":"8.2","Positive Raw Data File Names":"POS_S_87"}
},
{
"Subject ID":"-",
"Sample ID":"S_114",
"Factors":{"DM Type":"2","A1C Category":"Well Controlled"},
"Additional sample data":{"A1C":"6.8","Positive Raw Data File Names":"POS_S_114"}
},
{
"Subject ID":"-",
"Sample ID":"S_92",
"Factors":{"DM Type":"2","A1C Category":"Well Controlled"},
"Additional sample data":{"A1C":"5.8","Positive Raw Data File Names":"POS_S_92"}
},
{
"Subject ID":"-",
"Sample ID":"S_133",
"Factors":{"DM Type":"2","A1C Category":"Well Controlled"},
"Additional sample data":{"A1C":"6.2","Positive Raw Data File Names":"POS_S_133"}
},
{
"Subject ID":"-",
"Sample ID":"S_108",
"Factors":{"DM Type":"2","A1C Category":"Well Controlled"},
"Additional sample data":{"A1C":"5.9","Positive Raw Data File Names":"POS_S_108"}
},
{
"Subject ID":"-",
"Sample ID":"S_44",
"Factors":{"DM Type":"1","A1C Category":"Well Controlled"},
"Additional sample data":{"A1C":"6.4","Positive Raw Data File Names":"POS_S_44"}
},
{
"Subject ID":"-",
"Sample ID":"S_5",
"Factors":{"DM Type":"1","A1C Category":"Poorly Controlled"},
"Additional sample data":{"A1C":"8.9","Positive Raw Data File Names":"POS_S_5"}
},
{
"Subject ID":"-",
"Sample ID":"TP_1",
"Factors":{"DM Type":"-","A1C Category":"Total Pool_1"},
"Additional sample data":{"A1C":"-","Positive Raw Data File Names":"POS_TP_1"}
},
{
"Subject ID":"-",
"Sample ID":"TP_2",
"Factors":{"DM Type":"-","A1C Category":"Total Pool_2"},
"Additional sample data":{"A1C":"-","Positive Raw Data File Names":"POS_TP_2"}
},
{
"Subject ID":"-",
"Sample ID":"TP_3",
"Factors":{"DM Type":"-","A1C Category":"Total Pool_3"},
"Additional sample data":{"A1C":"-","Positive Raw Data File Names":"POS_TP_3"}
},
{
"Subject ID":"-",
"Sample ID":"TP_4",
"Factors":{"DM Type":"-","A1C Category":"Total Pool_4"},
"Additional sample data":{"A1C":"-","Positive Raw Data File Names":"POS_TP4"}
},
{
"Subject ID":"-",
"Sample ID":"TP_5",
"Factors":{"DM Type":"-","A1C Category":"Total Pool_5"},
"Additional sample data":{"A1C":"-","Positive Raw Data File Names":"POS_TP_5"}
},
{
"Subject ID":"-",
"Sample ID":"TP_6",
"Factors":{"DM Type":"-","A1C Category":"Total Pool_6"},
"Additional sample data":{"A1C":"-","Positive Raw Data File Names":"POS_TP_6"}
},
{
"Subject ID":"-",
"Sample ID":"TP_7",
"Factors":{"DM Type":"-","A1C Category":"Total Pool_7"},
"Additional sample data":{"A1C":"-","Positive Raw Data File Names":"POS_TP_7"}
},
{
"Subject ID":"-",
"Sample ID":"TP_8",
"Factors":{"DM Type":"-","A1C Category":"Total Pool_8"},
"Additional sample data":{"A1C":"-","Positive Raw Data File Names":"POS_TP_8"}
},
{
"Subject ID":"-",
"Sample ID":"TP_9",
"Factors":{"DM Type":"-","A1C Category":"Total Pool_9"},
"Additional sample data":{"A1C":"-","Positive Raw Data File Names":"POS_TP_9"}
},
{
"Subject ID":"-",
"Sample ID":"TP_10",
"Factors":{"DM Type":"-","A1C Category":"Total Pool_10"},
"Additional sample data":{"A1C":"-","Positive Raw Data File Names":"POS_TP_10"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Saliva samples were collected via standard operating procedures."},

"TREATMENT":{"TREATMENT_SUMMARY":"Saliva samples are from subjects with Type I and II diabetes. No treatment was given."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Study Samples and Whole Study Pooled QC Aliquots Preparation: Thawed aqueous saliva samples on ice. Samples were then vortexed and centrifuged at room temperature and at 16,000 rcf for four minutes. A 100 µL aliquot of each experimental sample was transferred to a labeled 2.0 mL Lo-Bind Eppendorf tube to make the study sample aliquots. Whole study pooled QC samples were created by combining 100 µL aliquot from each of the study samples into a 2 mL Lo-Bind eppendorf tube. This QC pooled sample was then vortexed for 30 seconds. Then, ten whole study pooled QC samples of 100 µL each were created. Sample Extraction To all samples (study and whole study pooled QC), 500 µL of Protein Precipitation Buffer with internal standard (0.0125 mg/mL of Tryptophan-d5 in methanol) was added to each tube and vortexed for 4 min at room temperature and at 5,000 rpm. The samples were then centrifuged at room temperature and at 16,000 rcf for 4 min. A 450 µL aliquot of the supernatant from each sample was transferred into pre-labeled 2.0 mL LoBind eppendorf tube and stored at -80 °C for one hour followed by a drying step on a lyophilizer. The residue was reconstituted in 100 µL of reconstitution buffer (95:5 Water:Methanol, v/v) and mixed on a multiple tube vortexer for 10 min at 5,000 rpm. Then, the samples were centrifuged at room temperature for 4 min at 16,000 rcf, and the supernatants were transferred to autosampler vials for data acquisition."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Waters Acquity","COLUMN_NAME":"Waters Acquity HSS T3 (100 x 2.1mm, 1.8um)"},

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

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Waters","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"POSITIVE"},

"MS_METABOLITE_DATA":{
"Units":"m/z",

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