{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002104","ANALYSIS_ID":"AN003439","VERSION":"1","CREATED_ON":"March 15, 2022, 8:24 am"},

"PROJECT":{"PROJECT_TITLE":"Chemoresistant Cancer Cell Lines are Characterized by Migratory, Amino Acid Metabolism, Protein Catabolism and IFN1 Signalling Perturbations","PROJECT_TYPE":"untargeted LCMS metabolomics of ovarian cell lines OVCAR5 and CaOV3 and their respective carboplatin resistant GO lines","PROJECT_SUMMARY":"Chemoresistance remains the major barrier to effective ovarian cancer treatment. The molecular features and associated biological functions of this phenotype remain poorly understood. We developed carboplatin resistant cell line models using OVCAR5 and CaOV3 cell lines with the aim of identifying chemoresistance-specific molecular features. Chemotaxis and CAM invasion assays revealed enhanced migratory and invasive potential in OVCAR5 resistant, compared to parental cells lines. Mass spectrometry analysis was used to analyse the proteome and metabolome of these cell lines and was able to separate these populations based on their molecular features. It revealed signalling and metabolic perturbations in chemoresistant cell lines. Comparison with the proteome of patient derived primary ovarian cancer cells grown in culture showed a shared dysregulation of cytokine and type 1 interferon signalling, potentially revealing a common molecular feature of chemoresistance. A comprehensive analysis of a larger patient cohort, including advanced in vitro and in vivo models, promises to help better understand the molecular mechanisms of chemoresistance and associated enhancement of migration and invasion.","INSTITUTE":"Future Industries Institute","LABORATORY":"Manuela Klingler-Hoffmann","LAST_NAME":"Acland","FIRST_NAME":"Mitchell","ADDRESS":"X Building, Mawson Lakes South Australia 5095","EMAIL":"mitch.acland@gmail.com","PHONE":"48671141","PUBLICATIONS":"Chemoresistant Cancer Cell Lines are Characterized by Migratory, Amino Acid Metabolism, Protein Catabolism and IFN1 Signalling Perturbations","CONTRIBUTORS":"Mitchell Acland, Noor A. Lokman, Clifford Young, Dovile Anderson, Mark Condina, Chris Desire, Tannith M. Noye, Wanqi Wang, Carmela Ricciardelli, Darren J. Creek, Martin K. Oehler, Peter Hoffmann and Manuela Klingler-Hoffmann"},

"STUDY":{"STUDY_TITLE":"Chemoresistant Cancer Cell Lines are Characterized by Migratory, Amino Acid Metabolism, Protein Catabolism and IFN1 Signalling Perturbations","STUDY_TYPE":"Biomedical research","STUDY_SUMMARY":"Our analysis was able to separate chemoresistant cells from their parental cells based on their metabolomic and proteomic features and identified altered biological processes and pathways which are of further interest. Preliminary investigation of patient-derived cells highlighted the need to perform broad biological and molecular analyses, compre-hensive in vitro and in vivo studies, using a larger patient cohort to achieve a deeper and clinically relevant characterization of the molecular drivers of chemoresistance.","INSTITUTE":"Future Industries Institute","LABORATORY":"Manuela Klingler-Hoffmann","LAST_NAME":"Acland","FIRST_NAME":"Mitchell","ADDRESS":"X Building, Mawson Lakes South Australia 5095","EMAIL":"mitch.acland@gmail.com","PHONE":"0448671141","NUM_GROUPS":"4","TOTAL_SUBJECTS":"12","NUM_MALES":"NA","NUM_FEMALES":"NA","STUDY_COMMENTS":"OVCAR5 and CaOV3 cell lines and their carboplatin resistant cell lines","PUBLICATIONS":"Chemoresistant Cancer Cell Lines are Characterized by Migra-tory, Amino Acid Metabolism, Protein Catabolism and IFN1 Signalling Perturbations"},

"SUBJECT":{"SUBJECT_TYPE":"Cultured cells","SUBJECT_SPECIES":"Homo sapiens","GENOTYPE_STRAIN":"OVCAR-5 and CaOV3 cell lines","GENDER":"Not applicable","CELL_BIOSOURCE_OR_SUPPLIER":"CaOV3 was purchased from the American Type Culture Collection (ATCC, Manassas, VA, USA). OVCAR-5 cell line obtained from Dr. Thomas Hamilton (Fox Chase Cancer Centre, Philadelphia, PA)."},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"Blank_1",
"Factors":{"conditions":"Extraction blank"},
"Additional sample data":{"RAW_FILE_NAME":"Blank_1"}
},
{
"Subject ID":"-",
"Sample ID":"Blank_2",
"Factors":{"conditions":"Extraction blank"},
"Additional sample data":{"RAW_FILE_NAME":"Blank_2"}
},
{
"Subject ID":"-",
"Sample ID":"Blank_3",
"Factors":{"conditions":"Extraction blank"},
"Additional sample data":{"RAW_FILE_NAME":"Blank_3"}
},
{
"Subject ID":"-",
"Sample ID":"CaOV3_CBPR_1",
"Factors":{"conditions":"CaOV3 cell line CBPR mutation"},
"Additional sample data":{"RAW_FILE_NAME":"CaOV3_CBPR_1"}
},
{
"Subject ID":"-",
"Sample ID":"CaOV3_CBPR_2",
"Factors":{"conditions":"CaOV3 cell line CBPR mutation"},
"Additional sample data":{"RAW_FILE_NAME":"CaOV3_CBPR_2"}
},
{
"Subject ID":"-",
"Sample ID":"CaOV3_CBPR_3",
"Factors":{"conditions":"CaOV3 cell line CBPR mutation"},
"Additional sample data":{"RAW_FILE_NAME":"CaOV3_CBPR_3"}
},
{
"Subject ID":"-",
"Sample ID":"CaOV3_Parent_1",
"Factors":{"conditions":"CaOV3 cell line"},
"Additional sample data":{"RAW_FILE_NAME":"CaOV3_Parent_1"}
},
{
"Subject ID":"-",
"Sample ID":"CaOV3_Parent_2",
"Factors":{"conditions":"CaOV3 cell line"},
"Additional sample data":{"RAW_FILE_NAME":"CaOV3_Parent_2"}
},
{
"Subject ID":"-",
"Sample ID":"CaOV3_Parent_3",
"Factors":{"conditions":"CaOV3 cell line"},
"Additional sample data":{"RAW_FILE_NAME":"CaOV3_Parent_3"}
},
{
"Subject ID":"-",
"Sample ID":"DMEM_IST_1",
"Factors":{"conditions":"culture media for CaOV3"},
"Additional sample data":{"RAW_FILE_NAME":"DMEM_IST_1"}
},
{
"Subject ID":"-",
"Sample ID":"DMEM_IST_2",
"Factors":{"conditions":"culture media for CaOV3"},
"Additional sample data":{"RAW_FILE_NAME":"DMEM_IST_2"}
},
{
"Subject ID":"-",
"Sample ID":"OVCAR5_CBPR_1",
"Factors":{"conditions":"OVCAR5 cell line CBPR mutation"},
"Additional sample data":{"RAW_FILE_NAME":"OVCAR5_CBPR_1"}
},
{
"Subject ID":"-",
"Sample ID":"OVCAR5_CBPR_2",
"Factors":{"conditions":"OVCAR5 cell line CBPR mutation"},
"Additional sample data":{"RAW_FILE_NAME":"OVCAR5_CBPR_2"}
},
{
"Subject ID":"-",
"Sample ID":"OVCAR5_CBPR_3",
"Factors":{"conditions":"OVCAR5 cell line CBPR mutation"},
"Additional sample data":{"RAW_FILE_NAME":"OVCAR5_CBPR_3"}
},
{
"Subject ID":"-",
"Sample ID":"OVCAR5_Parent_1",
"Factors":{"conditions":"OVCAR5_cell line"},
"Additional sample data":{"RAW_FILE_NAME":"OVCAR5_Parent_1"}
},
{
"Subject ID":"-",
"Sample ID":"OVCAR5_Parent_2",
"Factors":{"conditions":"OVCAR5_cell line"},
"Additional sample data":{"RAW_FILE_NAME":"OVCAR5_Parent_2"}
},
{
"Subject ID":"-",
"Sample ID":"OVCAR5_Parent_3",
"Factors":{"conditions":"OVCAR5_cell line"},
"Additional sample data":{"RAW_FILE_NAME":"OVCAR5_Parent_3"}
},
{
"Subject ID":"-",
"Sample ID":"RPMI_IST_1",
"Factors":{"conditions":"culture media for OVCAR5"},
"Additional sample data":{"RAW_FILE_NAME":"RPMI_IST_1"}
},
{
"Subject ID":"-",
"Sample ID":"RPMI_IST_2",
"Factors":{"conditions":"culture media for OVCAR5"},
"Additional sample data":{"RAW_FILE_NAME":"RPMI_IST_2"}
},
{
"Subject ID":"-",
"Sample ID":"QC_ov_1",
"Factors":{"conditions":"pooled QC"},
"Additional sample data":{"RAW_FILE_NAME":"QC_ov_1"}
},
{
"Subject ID":"-",
"Sample ID":"QC_ov_2",
"Factors":{"conditions":"pooled QC"},
"Additional sample data":{"RAW_FILE_NAME":"QC_ov_2"}
},
{
"Subject ID":"-",
"Sample ID":"QC_ov_3",
"Factors":{"conditions":"pooled QC"},
"Additional sample data":{"RAW_FILE_NAME":"QC_ov_3"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Cells were maintained at 60-80% confluence for 3 passages before being plated in 10cm dishes. Cell numbers were estimated from an additional dish with the same number of cells at seeding. Media was aspirated and cells were washed three times with 3mL warmed PBS. Metabolic arrest was achieved through the addition of approximately 2 mL of liquid nitrogen directly to cells ensuring that the surface of the plate was covered before plates were placed onto dry ice.","SAMPLE_TYPE":"Cultured cells","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"OVCAR-5 and CaOV3 cells were made resistant to carboplatinumv (CBP) after treatment with 6-8 cycles of CBP (50μM, Hospira Australia, Pty Ltd). Resistance to CBP was measured regularly and CBPR cell lines were seen to be at least two-fold more resistant to CBP than their parental partners through the following experiments.","TREATMENT_COMPOUND":"50μM carboplatinum, Hospira Australia, Pty Ltd","TREATMENT_ROUTE":"in culture media","TREATMENT_DOSE":"6-8 cycles of CBP 50μM"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Media was aspirated and cells were washed three times with 3mL warmed PBS. Metabol-ic arrest was achieved through the addition of approximately 2 mL of liquid nitrogen di-rectly to cells ensuring that the surface of the plate was covered before plates were placed onto dry ice. Metabolite extraction was achieved through the addition of 1mL 100% ice cold methanol. Cells were lifted off of the plate using an ice cold cell scraper and transferred to a 2mL Eppendorf. An additional 1mL of 100% ice cold methanol was added be-fore snap freezing by immersion in liquid nitrogen for 3 minutes. This was followed by thawing on dry ice and vortexing to resuspend contents. Freeze/thaw process was repeat-ed 5 times to ensure full extraction of metabolites. Samples were centrifuged at 16000g at -9⁰C for 5 minutes and the supernatant was retained. The pellet was resuspended in 500uL of 100% ice cold methanol and freeze/thaw in liquid nitrogen was repeated 5 times. This sample was centrifuged at 16000g at -9⁰C for 5 minutes and the supernatant was retained and combined with previously retained supernatant. The samples were then dried in a SpeedVac Vacuum Concentrator (John Morris Scientific, RVC 2-18) at room temperature, with vacuum of 40mbar and rotor speed of 1000min-1. Before data acquisition samples were resuspended in appropriate volumes of methanol as per cell number.","PROCESSING_STORAGE_CONDITIONS":"-80℃","EXTRACTION_METHOD":"MeOH","EXTRACT_STORAGE":"-80℃","SAMPLE_RESUSPENSION":"MeOH"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"LCMS data was acquired on Q-Exactive Orbitrap mass spectrometer (Thermo Fisher) coupled with high-performance liquid chromatography (HPLC) system Dionex Ultimate® 3000 RS (Thermo Fisher). Chromatographic separation was performed on a ZIC-pHILIC column (5 µm, polymeric, 150 × 4.6 mm, SeQuant®, Merck). The mobile phase (A) was 20 mM ammonium carbonate and (B) acetonitrile. The gradient program started at 80% B and was reduced to 50% B over 15 min, then reduced from 50% B to 5% B over 3 min, followed by wash with 5% B for another 3 min, and finally 8 min re-equilibration with 80% B. The flow rate was 0.3 mL/min and column compartment temperature was 40ºC. The total run time was 32 min with an injection sample volume of 10 µL.","CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Thermo Dionex Ultimate 3000 RS","COLUMN_NAME":"SeQuant ZIC-pHILIC (150 x 4.2 mm, 5 um)","FLOW_GRADIENT":"0 min - 80%B, 15 min - 50%B, 18 min - 5%B, 21 min - 5%B, 24 min - 80%B, 32 min - 80%B","FLOW_RATE":"0.3 ml/min","COLUMN_TEMPERATURE":"25 C","METHODS_FILENAME":"Metabolomics_pHILIC_Parkville_v1.meth","SOLVENT_A":"20 mM ammonium formate","SOLVENT_B":"acetonitrile","COLUMN_PRESSURE":"60 bar at starting conditions","INJECTION_TEMPERATURE":"4 C","INTERNAL_STANDARD":"CAPS, CHAPS, PIPES","SAMPLE_INJECTION":"10 uL","ANALYTICAL_TIME":"32 min","CAPILLARY_VOLTAGE":"3.5 kV","OVEN_TEMPERATURE":"25 C","WASHING_BUFFER":"syringe wash 50% IPA","WEAK_WASH_SOLVENT_NAME":"10% MeOH","STRONG_WASH_SOLVENT_NAME":"10% MeOH","SAMPLE_LOOP_SIZE":"25 uL","SAMPLE_SYRINGE_SIZE":"25 uL"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"Monash Proteomics and Metabolomics Facility","OPERATOR_NAME":"Dovile Anderson","DETECTOR_TYPE":"Full scan","SOFTWARE_VERSION":"XCalibur","ACQUISITION_DATE":"04/06/2021","ANALYSIS_PROTOCOL_FILE":"PQMS3-MBPF-WIN-0501_analysis.pdf","ACQUISITION_PARAMETERS_FILE":"Metabolomics_pHILIC_Parkville_v1.pdf","DATA_FORMAT":".RAW"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"Mass spectrometer operated in full scan mode with positive and negative polarity switching at 35000 resolution at 200 m/z with detection range of 85 to 1, 275 m/z in full scan mode. Electro-spray ionization source (HESI) was set to 3.5 kV voltage for positive mode and 4.0 kV for negative mode, sheath gas was set to 50 and aux gas to 20 arbitrary units, capillary temperature 300 °C, probe heater temperature 120 °C.","CAPILLARY_TEMPERATURE":"300 C","CAPILLARY_VOLTAGE":"4 kV","COLLISION_ENERGY":"NA","COLLISION_GAS":"NA","ION_SOURCE_TEMPERATURE":"120 C","MASS_ACCURACY":"1-2 ppm","AUTOMATIC_GAIN_CONTROL":"1e6","DATAFORMAT":"profile"},

"MS_METABOLITE_DATA":{
"Units":"peak height",

"Data":[{"Metabolite":"2-Hydroxyundecanoate","Blank_1":"5883811.231","Blank_2":"15323027.54","Blank_3":"17280978.82","CaOV3_CBPR_1":"6648204898","CaOV3_CBPR_2":"7741996937","CaOV3_CBPR_3":"7227435583","CaOV3_Parent_1":"6539645314","CaOV3_Parent_2":"6697562417","CaOV3_Parent_3":"6206667358","DMEM_IST_1":"203082297.1","DMEM_IST_2":"227046245","OVCAR5_CBPR_1":"7033895101","OVCAR5_CBPR_2":"7369748659","OVCAR5_CBPR_3":"5891737792","OVCAR5_Parent_1":"7736922333","OVCAR5_Parent_2":"5039266445","OVCAR5_Parent_3":"6062404073","RPMI_IST_1":"10714741810","RPMI_IST_2":"12459760494","QC_ov_1":"5633223213","QC_ov_2":"5837046257","QC_ov_3":"4845734800"},{"Metabolite":"2-Aceto-2-hydroxybutanoic 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}

}