{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000220","ANALYSIS_ID":"AN000326","VERSION":"1","CREATED_ON":"2016-09-17"},

"PROJECT":{"PROJECT_TITLE":"Small cell lung cancer metabolome","PROJECT_TYPE":"Metabolomic profiling comparison between small cell lung cancer (SCLC) and cell lung cancer (NSCLC), to define novel biomarkers for therapy, diagnostics early detection.","PROJECT_SUMMARY":"The goal of this pilot project is to comprehensively evaluate metabolic of small cell lung cancer (SCLC) and couple with proteome level measurements of kinase and other enzyme level expression data to provide insight into the signaling networks that may be driving the pathogenesis of SCLC. Alterations in metabolism are increasingly realized as an emerging area of research and offers new therapeutic strategies. As part of ongoing studies, we are employing chemical biology platform, activity-based protein profiling (ABPP), to study SCLC proteome. ABPP uses chemical probes that are directed against the active of enzymes to interrogate the functional state of enzymes in biological We used ATP based probes to study differences in kinase and other ATP binding between SCLC and non-small cell lung cancer (NSCLC). We used well curated lung cell lines that facilitate functional analysis of key proteins and pathways. our preliminary data strongly implicates hyperactivated metabolic pathways in when compared to NSCLC cell lines. A strong signal of upregulated metabolic and other proteins involved in glycolysis, pyruvate metabolism, and purine have been identified through this approach. However, whether the alterations in protein levels identified through this proteomic based approach corresponds to levels of metabolites through metabolic pathways remains unclear. This new will allow us to profile SCLC for alterations in metabolism that can be to NSCLC. We will conduct metabolomics studies on our SCLC cell lines. between the underlying alterations in metabolic kinases and other signaling and mechanisms promoting the aggressive phenotype of these SCLC tumors remain We will collaborate with the NIH Eastern Regional Comprehensive Metabolomics Core at RTI International (RTI RCMRC) to enable metabolomic profiling and of our existing cell lines and tumor tissues.","INSTITUTE":"H. Lee Moffitt Cancer Center & Research Institute","DEPARTMENT":"NCI-designated comprehensive cancer center","LAST_NAME":"Haura","FIRST_NAME":"Eric B.","ADDRESS":"12902 Magnolia Drive, MRC 3 East","EMAIL":"eric.haura@moffitt.org","PHONE":"813-745-6827"},

"STUDY":{"STUDY_TITLE":"Small cell lung cancer metabolome (part II)","STUDY_TYPE":"Comparison of normal, lung adenocarcinoma and SCLC tissue metabolomes","STUDY_SUMMARY":"In addition to the generation and analysis of metabolomics data on cell lines, of normal lung tissue, adenocarcinoma lung tissue and small cell lung carcinoma (seven samples/group) were processed and evaluated metabolite profile under the scope of the pilot and feasibility study. These data can be to the metabolite profiles defined in the SCLC and NSCLC cell lines and with the ABPP-determined metabolic kinases to identify distinct metabolic or biomarkers (?oncometabolites?) that distinguish small cell lung cancer from cell lung cancer.","INSTITUTE":"RTI International","DEPARTMENT":"Systems and Translational Sciences (STS)","LABORATORY":"RTI Eastern Regional Comprehensive Metabolomics Resource Core (RTI RCMRC)","LAST_NAME":"Sumner","FIRST_NAME":"Susan","ADDRESS":"3040 East Cornwallis Road, Research Triangle Park, NC 27709, USA","EMAIL":"ssumner@rti.org","PHONE":"919-541-7479","NUM_GROUPS":"3","TOTAL_SUBJECTS":"21"},

"SUBJECT":{"SUBJECT_TYPE":"Human tissue","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9096","CELL_BIOSOURCE_OR_SUPPLIER":"Moffitt Cancer Center Tissue Core"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"SF-100109-227718",
"Factors":{"Histology Type Conformed - CAP":"Adenocarcinoma, NOS"}
},
{
"Subject ID":"-",
"Sample ID":"SF-100109-231142",
"Factors":{"Histology Type Conformed - CAP":"Adenocarcinoma, NOS"}
},
{
"Subject ID":"-",
"Sample ID":"SF-100109-239012",
"Factors":{"Histology Type Conformed - CAP":"Adenocarcinoma, NOS"}
},
{
"Subject ID":"-",
"Sample ID":"SF-100109-244079",
"Factors":{"Histology Type Conformed - CAP":"Adenocarcinoma, NOS"}
},
{
"Subject ID":"-",
"Sample ID":"SF-100109-255622",
"Factors":{"Histology Type Conformed - CAP":"Adenocarcinoma, NOS"}
},
{
"Subject ID":"-",
"Sample ID":"SF-100109-259700",
"Factors":{"Histology Type Conformed - CAP":"Adenocarcinoma, NOS"}
},
{
"Subject ID":"-",
"Sample ID":"SF-120831-00062",
"Factors":{"Histology Type Conformed - CAP":"Adenocarcinoma, NOS"}
},
{
"Subject ID":"-",
"Sample ID":"SF-110121-00073",
"Factors":{"Histology Type Conformed - CAP":"Combined small cell carcinoma"}
},
{
"Subject ID":"-",
"Sample ID":"SF-100109-114720",
"Factors":{"Histology Type Conformed - CAP":"Normal"}
},
{
"Subject ID":"-",
"Sample ID":"SF-100109-121711",
"Factors":{"Histology Type Conformed - CAP":"Normal"}
},
{
"Subject ID":"-",
"Sample ID":"SF-100109-124896",
"Factors":{"Histology Type Conformed - CAP":"Normal"}
},
{
"Subject ID":"-",
"Sample ID":"SF-100109-124904",
"Factors":{"Histology Type Conformed - CAP":"Normal"}
},
{
"Subject ID":"-",
"Sample ID":"SF-100109-130034",
"Factors":{"Histology Type Conformed - CAP":"Normal"}
},
{
"Subject ID":"-",
"Sample ID":"SF-100109-169058",
"Factors":{"Histology Type Conformed - CAP":"Normal"}
},
{
"Subject ID":"-",
"Sample ID":"SF-100109-199550",
"Factors":{"Histology Type Conformed - CAP":"Normal"}
},
{
"Subject ID":"-",
"Sample ID":"SF-100109-146730",
"Factors":{"Histology Type Conformed - CAP":"Small cell carcinoma"}
},
{
"Subject ID":"-",
"Sample ID":"SF-100109-142930",
"Factors":{"Histology Type Conformed - CAP":"Small cell carcinoma, NOS"}
},
{
"Subject ID":"-",
"Sample ID":"SF-100109-199546",
"Factors":{"Histology Type Conformed - CAP":"Small cell carcinoma, NOS"}
},
{
"Subject ID":"-",
"Sample ID":"SF-100109-225118",
"Factors":{"Histology Type Conformed - CAP":"Small cell carcinoma, NOS"}
},
{
"Subject ID":"-",
"Sample ID":"SF-100109-252159",
"Factors":{"Histology Type Conformed - CAP":"Small cell carcinoma, NOS"}
},
{
"Subject ID":"-",
"Sample ID":"SF-110908-00016",
"Factors":{"Histology Type Conformed - CAP":"Small cell carcinoma, NOS"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"-","SAMPLE_TYPE":"tissue","COLLECTION_METHOD":"Snap frozen"},

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

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Pulverized tissue samples were incubated in 50:50 Acetonitrile:Water for 1 hr, and centrifuged. Supernatants were transferred to new tubes along with labled internal standard and samples were lyophilized to dryness. Dried samples resuspended in 95:5 Water:Methanol and an aliquot was transferred to vials forbroad spectrum metabolomics data analysis acquisition.","PROCESSING_METHOD":"Pulverization of frozen tissue (performed at Moffitt and supplied to RTI)","EXTRACTION_METHOD":"50:50 Acetonitrile:Water","EXTRACT_STORAGE":"-80 C","SAMPLE_RESUSPENSION":"95:5 Water:Methanol","SAMPLE_SPIKING":"L-Tryptophan-d5","ORGAN":"Lung"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Waters Acquity","COLUMN_NAME":"Waters Acquity HSS T3 (100 x 2.1mm, 1.8um)","COLUMN_PRESSURE":"6000-10000","COLUMN_TEMPERATURE":"50 C","FLOW_GRADIENT":"Time(min) Flow Rate %A %B Curve  100.0 0.0 6  22.00 0.400 100.0 0.0 6","FLOW_RATE":"0.4 mL/min","INJECTION_TEMPERATURE":"8 C","INTERNAL_STANDARD":"L-Tryptophan-d5","SOLVENT_A":"Water w/ 0.1% formic acid","SOLVENT_B":"Methanol w/ 0.1% formic acid","ANALYTICAL_TIME":"22 min","WEAK_WASH_SOLVENT_NAME":"5%MeOH","WEAK_WASH_VOLUME":"1000 uL","STRONG_WASH_SOLVENT_NAME":"80%MeOH","STRONG_WASH_VOLUME":"1000 uL","TARGET_SAMPLE_TEMPERATURE":"8 C","SAMPLE_LOOP_SIZE":"10 uL","SAMPLE_SYRINGE_SIZE":"100 uL","RANDOMIZATION_ORDER":"Yes"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"RTI","ACQUISITION_DATE":"41935","SOFTWARE_VERSION":"MassLynx 4.1","OPERATOR_NAME":"Suraj Dhungana, Delisha Stewart","DETECTOR_TYPE":"TOF"},

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Waters Synapt G2 Si QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","CAPILLARY_TEMPERATURE":"110 C","CAPILLARY_VOLTAGE":"1.0 kV","COLLISION_ENERGY":"4","FRAGMENTATION_METHOD":"CID","HELIUM_FLOW":"180","IONIZATION":"ES-","MASS_ACCURACY":"5 ppm","SOURCE_TEMPERATURE":"110 C","DATAFORMAT":"Continuum","DESOLVATION_GAS_FLOW":"400 L/Hr","DESOLVATION_TEMPERATURE":"400 C","RESOLUTION_SETTING":"18000","SCAN_RANGE_MOVERZ":"50-1000 m/z","SCANNING_CYCLE":"1 s","TUBE_LENS_VOLTAGE":"74"},

"MS_METABOLITE_DATA":{
"Units":"Normalized abundance",

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