{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000243","ANALYSIS_ID":"AN000380","VERSION":"1","CREATED_ON":"2016-09-17"},

"PROJECT":{"PROJECT_TITLE":"Metabolomic-based investigation on the effects of antifungal agents in Candida","PROJECT_SUMMARY":"Our aim is to determine the metabolic effects of increasing doses of an agent on C. albicans metabolism (untargeted, steady state metabolomics). We culture in vitro Candida cells to the mid-logarithmic growth in liquid media at 37°C and then inoculate biological replicates (1ml) onto 22mm filters under vocuum filtration in sterile conditions. Subsequently, isolates be cultivated to midlogarithmic phase of growth on the same agar (RPMI-1640) to the antifungal agent has been added at a range of concentrations to achieve equivalent to 0 MIC (no drug), 0.0625 MIC, 0.125 MIC, 0.25 MIC, 0.5 MIC and 1.0 at 37°C. At mid-logarithmic phase of growth (12h) replicates will be quenched by immersion into a solvent mixture of 40% acetonitrile: 40% methanol: water precooled at -40°C. The resulting quenched isolate/solvent mixtrue will mechanically lysed by bead-beating with 0.1mm Zirconia beads in a tissue and then centrifuged to seperate out cell wall components. Supernatants will be and stored at -80°C until they will be sent to SECIM facility.","INSTITUTE":"Weill Cornell Medical College","DEPARTMENT":"Medicine/Infectious Diseases","LAST_NAME":"Walsh","FIRST_NAME":"Thomas","ADDRESS":"-","EMAIL":"thw2003@med.cornell.edu","PHONE":"-","FUNDING_SOURCE":"Southeastern Center for Integrated Metabolomics (SECIM) pilot and feasibility NIH U24 DK097209"},

"STUDY":{"STUDY_TITLE":"Metabolomic-based investigation on the effects of antifungal agents in Candida","STUDY_TYPE":"in vitro study/drug dosage","STUDY_SUMMARY":"Our aim is to determine the metabolic effects of increasing doses of an agent on C. albicans metabolism (untargeted, steady state metabolomics). We culture in vitro Candida cells to the mid-logarithmic growth in liquid media at 37°C and then inoculate biological replicates (1ml) onto 22mm filters under vocuum filtration in sterile conditions. Subsequently, isolates be cultivated to midlogarithmic phase of growth on the same agar (RPMI-1640) to the antifungal agent has been added at a range of concentrations to achieve equivalent to 0 MIC (no drug), 0.0625 MIC, 0.125 MIC, 0.25 MIC, 0.5 MIC and 1.0 at 37°C. At mid-logarithmic phase of growth (12h) replicates will be quenched by immersion into a solvent mixture of 40% acetonitrile: 40% methanol: water precooled at -40°C. The resulting quenched isolate/solvent mixtrue will mechanically lysed by bead-beating with 0.1mm Zirconia beads in a tissue and then centrifuged to seperate out cell wall components. Supernatants will be and stored at -80°C until they will be sent to SECIM facility.","INSTITUTE":"University of Florida","DEPARTMENT":"SECIM","LAST_NAME":"Katragkou","FIRST_NAME":"Aspasia","ADDRESS":"-","EMAIL":"ask2012@med.cornell.edu","PHONE":"-","NUM_GROUPS":"96"},

"SUBJECT":{"SUBJECT_TYPE":"Yeast cells","SUBJECT_SPECIES":"Candida albicans","TAXONOMY_ID":"5476","GENOTYPE_STRAIN":"SC5314"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.0625MIC_1",
"Factors":{"":"0.0625MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.0625MIC_2",
"Factors":{"":"0.0625MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.0625MIC_3",
"Factors":{"":"0.0625MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.0625MIC_4",
"Factors":{"":"0.0625MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.0625MIC_5",
"Factors":{"":"0.0625MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.0625MIC_6",
"Factors":{"":"0.0625MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.0625MIC_7",
"Factors":{"":"0.0625MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.0625MIC_8",
"Factors":{"":"0.0625MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.0625MIC_1",
"Factors":{"":"0.0625MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.0625MIC_2",
"Factors":{"":"0.0625MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.0625MIC_3",
"Factors":{"":"0.0625MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.0625MIC_4",
"Factors":{"":"0.0625MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.0625MIC_5",
"Factors":{"":"0.0625MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.0625MIC_6",
"Factors":{"":"0.0625MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.0625MIC_7",
"Factors":{"":"0.0625MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.0625MIC_8",
"Factors":{"":"0.0625MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.125MIC_1",
"Factors":{"":"0.125MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.125MIC_2",
"Factors":{"":"0.125MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.125MIC_3",
"Factors":{"":"0.125MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.125MIC_4",
"Factors":{"":"0.125MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.125MIC_5",
"Factors":{"":"0.125MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.125MIC_6",
"Factors":{"":"0.125MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.125MIC_7",
"Factors":{"":"0.125MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.125MIC_8",
"Factors":{"":"0.125MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.125MIC_1",
"Factors":{"":"0.125MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.125MIC_2",
"Factors":{"":"0.125MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.125MIC_3",
"Factors":{"":"0.125MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.125MIC_4",
"Factors":{"":"0.125MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.125MIC_5",
"Factors":{"":"0.125MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.125MIC_6",
"Factors":{"":"0.125MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.125MIC_7",
"Factors":{"":"0.125MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.125MIC_8",
"Factors":{"":"0.125MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.25MIC_1",
"Factors":{"":"0.25MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.25MIC_2",
"Factors":{"":"0.25MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.25MIC_3",
"Factors":{"":"0.25MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.25MIC_4",
"Factors":{"":"0.25MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.25MIC_5",
"Factors":{"":"0.25MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.25MIC_6",
"Factors":{"":"0.25MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.25MIC_7",
"Factors":{"":"0.25MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.25MIC_8",
"Factors":{"":"0.25MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.25MIC_1",
"Factors":{"":"0.25MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.25MIC_2",
"Factors":{"":"0.25MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.25MIC_3",
"Factors":{"":"0.25MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.25MIC_4",
"Factors":{"":"0.25MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.25MIC_5",
"Factors":{"":"0.25MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.25MIC_6",
"Factors":{"":"0.25MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.25MIC_7",
"Factors":{"":"0.25MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.25MIC_8",
"Factors":{"":"0.25MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.5MIC_1",
"Factors":{"":"0.5MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.5MIC_2",
"Factors":{"":"0.5MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.5MIC_3",
"Factors":{"":"0.5MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.5MIC_4",
"Factors":{"":"0.5MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.5MIC_5",
"Factors":{"":"0.5MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.5MIC_6",
"Factors":{"":"0.5MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.5MIC_7",
"Factors":{"":"0.5MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0.5MIC_8",
"Factors":{"":"0.5MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.5MIC_1",
"Factors":{"":"0.5MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.5MIC_2",
"Factors":{"":"0.5MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.5MIC_3",
"Factors":{"":"0.5MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.5MIC_4",
"Factors":{"":"0.5MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.5MIC_5",
"Factors":{"":"0.5MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.5MIC_6",
"Factors":{"":"0.5MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.5MIC_7",
"Factors":{"":"0.5MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0.5MIC_8",
"Factors":{"":"0.5MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_1.0MIC_1",
"Factors":{"":"1.0MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_1.0MIC_2",
"Factors":{"":"1.0MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_1.0MIC_3",
"Factors":{"":"1.0MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_1.0MIC_4",
"Factors":{"":"1.0MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_1.0MIC_5",
"Factors":{"":"1.0MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_1.0MIC_6",
"Factors":{"":"1.0MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_1.0MIC_7",
"Factors":{"":"1.0MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_1.0MIC_8",
"Factors":{"":"1.0MIC","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_1.0MIC_1",
"Factors":{"":"1.0MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_1.0MIC_2",
"Factors":{"":"1.0MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_1.0MIC_3",
"Factors":{"":"1.0MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_1.0MIC_4",
"Factors":{"":"1.0MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_1.0MIC_5",
"Factors":{"":"1.0MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_1.0MIC_6",
"Factors":{"":"1.0MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_1.0MIC_7",
"Factors":{"":"1.0MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_1.0MIC_8",
"Factors":{"":"1.0MIC","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0MIC_1",
"Factors":{"":"no drug","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0MIC_2",
"Factors":{"":"no drug","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0MIC_3",
"Factors":{"":"no drug","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0MIC_4",
"Factors":{"":"no drug","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0MIC_5",
"Factors":{"":"no drug","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0MIC_6",
"Factors":{"":"no drug","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0MIC_7",
"Factors":{"":"no drug","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_1_0MIC_8",
"Factors":{"":"no drug","":"1"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0MIC_1",
"Factors":{"":"no drug","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0MIC_2",
"Factors":{"":"no drug","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0MIC_3",
"Factors":{"":"no drug","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0MIC_4",
"Factors":{"":"no drug","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0MIC_5",
"Factors":{"":"no drug","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0MIC_6",
"Factors":{"":"no drug","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0MIC_7",
"Factors":{"":"no drug","":"2"}
},
{
"Subject ID":"-",
"Sample ID":"EXP_2_0MIC_8",
"Factors":{"":"no drug","":"2"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Culture supernatants (appx. 1 ml from each replicate) will be removed and at -80C","SAMPLE_TYPE":"Cells","VOLUMEORAMOUNT_COLLECTED":"1 mL","STORAGE_CONDITIONS":"-80C"},

"TREATMENT":{"TREATMENT_SUMMARY":"Candida cells grown to the mid-logarithmic phase will be exposed in biological (X8) to the antifungal agent (micafungin) to a range of concentrations of the strain's MIC, Minimal Inhibitory Concentration) 0.0625MIC 0.125MIC 0.5MIC 1.0MIC. No drug exposed Candida cells will serve as controls"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"-","SAMPLEPREP_PROTOCOL_FILENAME":"Sample_Preparation_of_Cell_Lysates.pdf"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","COLUMN_NAME":"ACE Excel 2 C18-PFP (100 x 2.1mm, 2um)","METHODS_FILENAME":"Metabolomics_LCMSProtocol.pdf;Appendix_A_-_Internal_Standard_Prep_GLCMS.pdf","INTERNAL_STANDARD":"Appendix A - Internal Standard Prep GLCMS.pdf"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"Garrett Lab","DETECTOR_TYPE":"Orbitrap"},

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"NEGATIVE"},

"MS_METABOLITE_DATA":{
"Units":"Peak height",

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