{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002295","ANALYSIS_ID":"AN003749","VERSION":"1","CREATED_ON":"September 14, 2022, 10:19 am"},

"PROJECT":{"PROJECT_TITLE":"Biochemical Impact of Platinum and Palladium-based Anticancer Agents – BioIMPACT","PROJECT_TYPE":"NMR-based metabolomics","PROJECT_SUMMARY":"Platinum (Pt(II)) drugs, e.g. cisplatin (cDDP), are some of the most used chemotherapeutic agents, yet tumor acquired resistance and high toxicity are still current drawbacks. Palladium (Pd(II))-complexes are alternatives due to similar metal coordination and promising cytotoxic properties. Metabolomics can measure the metabolic response of drug-exposed tissues, unveiling insight into drug mechanisms and new markers of drug efficacy/toxicity. The present 1H NMR metabolomics study aims to characterize the in vivo response of the impact of a Pd(II)-complex with polyamine spermine (Pd2Spm), compared to cDDP, on the metabolism of several organs from a cell-derived xenograft mouse model of Triple-Negative Breast Cancer.","INSTITUTE":"University of Aveiro","DEPARTMENT":"Department of Chemistry and CICECO-Aveiro Institute of Materials","LABORATORY":"Metabolomics from Ana M. Gil","LAST_NAME":"Carneiro","FIRST_NAME":"Tatiana João","ADDRESS":"Campus Universitário de Santiago, Aveiro, Aveiro, 3810-193, Portugal","EMAIL":"tatiana.joao@ua.pt","PHONE":"+351 234 370 200","FUNDING_SOURCE":"This research was developed within the scope of the CICECO—Aveiro Institute of Materials, with references UIDB/50011/2020, UIDP/50011/2020, and LA/P/0006/2020, financed by national funds through the Portuguese Foundation for Science and Technology (FCT/MEC) and when appropriate co-financed by European Regional Development Fund (FEDER) under the PT2020 Partnership Agreement. This work was also funded by the FCT through UIDB/50006/2020, UIDB/00070/2020, POCI-01-0145-FEDER-0016786, and Centro-01-0145-FEDER-029956 (co-financed by COMPETE 2020, Portugal 2020 and European Community through FEDER). We also acknowledge the Portuguese National NMR Network (PTNMR), supported by FCT funds as the NMR spectrometer used is part of PTNMR and partially supported by Infrastructure Project Nº 022161 (co-financed by FEDER through COMPETE 2020, POCI and PORL, and the FCT through PIDDAC). We also acknowledge European Social Fund of the European Union and national funds FCT/MCTES for the PhD grants PD/BD/135460/2017 and SFRH/BD/145920/2019."},

"STUDY":{"STUDY_TITLE":"Metabolic impact of anticancer drugs Pd2Spermine and Cisplatin on the lipophilic metabolome of liver from cell-derived xenograft mouse model of Triple-Negative Breast Cancer (part 2)","STUDY_TYPE":"NMR-based metabolomics","STUDY_SUMMARY":"Platinum (Pt(II)) drugs, e.g. cisplatin (cDDP), are some of the most used chemotherapeutic agents, yet tumor acquired resistance and high toxicity are still current drawbacks. Palladium (Pd(II))-complexes are alternatives due to similar metal coordination and promising cytotoxic properties. Metabolomics can measure the metabolic response of drug-exposed tissues, unveiling insight into drug mechanisms and new markers of drug efficacy/toxicity. The present 1H NMR metabolomics study aims to characterize the in vivo response of the impact of a Pd(II)-complex with polyamine spermine (Pd2Spm), compared to cDDP, on lipophilic metabolism of liver from cell-derived xenograft mouse model of Triple-Negative Breast Cancer.","INSTITUTE":"University of Aveiro","DEPARTMENT":"Department of Chemistry and CICECO-Aveiro Institute of Materials","LABORATORY":"Metabolomics from Ana M. Gil","LAST_NAME":"Carneiro","FIRST_NAME":"Tatiana João","ADDRESS":"Campus Universitário de Santiago, Aveiro, Aveiro, 3810-193, Portugal","EMAIL":"tatiana.joao@ua.pt","PHONE":"+351 234 370 200","NUM_GROUPS":"3","TOTAL_SUBJECTS":"22","NUM_FEMALES":"22"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090","GENOTYPE_STRAIN":"CBA nude (N:NIH(S)II-nu/nu)","AGE_OR_AGE_RANGE":"6 to 7-weeks old","GENDER":"Female","ANIMAL_ANIMAL_SUPPLIER":"i3S Animal Facility (Porto, Portugal)","ANIMAL_HOUSING":"ICBAS-UP Rodent Animal House Facility (Porto, Portugal)","ANIMAL_LIGHT_CYCLE":"12h light/dark cycles (7.00 AM lights on)","ANIMAL_FEED":"ad libitum","ANIMAL_WATER":"ad libitum","ANIMAL_INCLUSION_CRITERIA":"Healthy animails","SPECIES_GROUP":"CBA nude (N:NIH(S)II-nu/nu)"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"xeno_L_EL_C_11_1_2",
"Factors":{"Treatment_group":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"xeno_L_EL_C_11_1_2"}
},
{
"Subject ID":"-",
"Sample ID":"xeno_L_EL_C_17_1_2",
"Factors":{"Treatment_group":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"xeno_L_EL_C_17_1_2"}
},
{
"Subject ID":"-",
"Sample ID":"xeno_L_EL_C_20b_1_2",
"Factors":{"Treatment_group":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"xeno_L_EL_C_20b_1_2"}
},
{
"Subject ID":"-",
"Sample ID":"xeno_L_EL_C_26b_1_2",
"Factors":{"Treatment_group":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"xeno_L_EL_C_26b_1_2"}
},
{
"Subject ID":"-",
"Sample ID":"xeno_L_EL_C_27b_1_2",
"Factors":{"Treatment_group":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"xeno_L_EL_C_27b_1_2"}
},
{
"Subject ID":"-",
"Sample ID":"xeno_L_EL_C_29b_1_2",
"Factors":{"Treatment_group":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"xeno_L_EL_C_29b_1_2"}
},
{
"Subject ID":"-",
"Sample ID":"xeno_L_EL_A_7_1_2",
"Factors":{"Treatment_group":"Cisplatin-treated"},
"Additional sample data":{"RAW_FILE_NAME":"xeno_L_EL_A_7_1_2"}
},
{
"Subject ID":"-",
"Sample ID":"xeno_L_EL_A_14_1_2",
"Factors":{"Treatment_group":"Cisplatin-treated"},
"Additional sample data":{"RAW_FILE_NAME":"xeno_L_EL_A_14_1_2"}
},
{
"Subject ID":"-",
"Sample ID":"xeno_L_EL_A_16_1_2",
"Factors":{"Treatment_group":"Cisplatin-treated"},
"Additional sample data":{"RAW_FILE_NAME":"xeno_L_EL_A_16_1_2"}
},
{
"Subject ID":"-",
"Sample ID":"xeno_L_EL_A_24b_1_2",
"Factors":{"Treatment_group":"Cisplatin-treated"},
"Additional sample data":{"RAW_FILE_NAME":"xeno_L_EL_A_24b_1_2"}
},
{
"Subject ID":"-",
"Sample ID":"xeno_L_EL_A_25_1_2",
"Factors":{"Treatment_group":"Cisplatin-treated"},
"Additional sample data":{"RAW_FILE_NAME":"xeno_L_EL_A_25_1_2"}
},
{
"Subject ID":"-",
"Sample ID":"xeno_L_EL_A_28b_1_2",
"Factors":{"Treatment_group":"Cisplatin-treated"},
"Additional sample data":{"RAW_FILE_NAME":"xeno_L_EL_A_28b_1_2"}
},
{
"Subject ID":"-",
"Sample ID":"xeno_L_EL_A_32b_1_2",
"Factors":{"Treatment_group":"Cisplatin-treated"},
"Additional sample data":{"RAW_FILE_NAME":"xeno_L_EL_A_32b_1_2"}
},
{
"Subject ID":"-",
"Sample ID":"xeno_L_EL_A_33b_1_2",
"Factors":{"Treatment_group":"Cisplatin-treated"},
"Additional sample data":{"RAW_FILE_NAME":"xeno_L_EL_A_33b_1_2"}
},
{
"Subject ID":"-",
"Sample ID":"xeno_L_EL_B_8b_1_2",
"Factors":{"Treatment_group":"Pd2Spm-treated"},
"Additional sample data":{"RAW_FILE_NAME":"xeno_L_EL_B_8b_1_2"}
},
{
"Subject ID":"-",
"Sample ID":"xeno_L_EL_B_10b_1_2",
"Factors":{"Treatment_group":"Pd2Spm-treated"},
"Additional sample data":{"RAW_FILE_NAME":"xeno_L_EL_B_10b_1_2"}
},
{
"Subject ID":"-",
"Sample ID":"xeno_L_EL_B_13c_1_2",
"Factors":{"Treatment_group":"Pd2Spm-treated"},
"Additional sample data":{"RAW_FILE_NAME":"xeno_L_EL_B_13c_1_2"}
},
{
"Subject ID":"-",
"Sample ID":"xeno_L_EL_B_18b_1_2",
"Factors":{"Treatment_group":"Pd2Spm-treated"},
"Additional sample data":{"RAW_FILE_NAME":"xeno_L_EL_B_18b_1_2"}
},
{
"Subject ID":"-",
"Sample ID":"xeno_L_EL_B_19b_1_2",
"Factors":{"Treatment_group":"Pd2Spm-treated"},
"Additional sample data":{"RAW_FILE_NAME":"xeno_L_EL_B_19b_1_2"}
},
{
"Subject ID":"-",
"Sample ID":"xeno_L_EL_B_22b_1_2",
"Factors":{"Treatment_group":"Pd2Spm-treated"},
"Additional sample data":{"RAW_FILE_NAME":"xeno_L_EL_B_22b_1_2"}
},
{
"Subject ID":"-",
"Sample ID":"xeno_L_EL_B_23b_1_2",
"Factors":{"Treatment_group":"Pd2Spm-treated"},
"Additional sample data":{"RAW_FILE_NAME":"xeno_L_EL_B_23b_1_2"}
},
{
"Subject ID":"-",
"Sample ID":"xeno_L_EL_B_30b_1_2",
"Factors":{"Treatment_group":"Pd2Spm-treated"},
"Additional sample data":{"RAW_FILE_NAME":"xeno_L_EL_B_30b_1_2"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"At day 39 post-implantation of MDA-MB-231 cells (25G needle, 5E6 cells in 150 microliters of PBS) in the left flank of mice, and, at day 9 post-treatment with metal-based drugs, the mice were sacrificed with isoflurane, organs were excised, snap-frozen and stored at -80 ºC.","SAMPLE_TYPE":"Liver","COLLECTION_DURATION":"Inferior to one minute","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"At day 25 post-implantation, 8 animals were randomly chosen into three groups to receive the treatment with either (i) vehicle (phosphate-buffered saline, PBS) - controls, (ii) cDDP (2 mg/kg/day), or (iii) Pd2Spm (5 mg/kg/day), via intraperitoneal injection, during five consecutive days. Two control animals were excluded from the study since they developed ulcerated tumors (at day 28 post-implantation) and needed to be prematurely euthanized.","TREATMENT_ROUTE":"Intraperitoneal injection","TREATMENT_DOSEVOLUME":"500 microliters","TREATMENT_VEHICLE":"PBS (phosphate-buffered saline solution)"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"The half of liver (comprising median and left lobes) from each mouse was mechanically grounded in liquid nitrogen and samples were extracted using the biphasic methanol/ chloroform/ water (2:2:1) method. Lipophilic phases were recovered and dried. Previously to NMR acquisition, lipophilic extracts were suspended in 650 µL of CDCl3, containing 0.03% tetramethylsilane (TMS). Samples were then homogenized and transferred into 5mm NMR tubes.","PROCESSING_STORAGE_CONDITIONS":"-80℃","EXTRACTION_METHOD":"Biphasic method (methanol/ chloroform/ water)","EXTRACT_STORAGE":"-80℃"},

"ANALYSIS":{"ANALYSIS_TYPE":"NMR","LABORATORY_NAME":"Metabolomics Ana M. Gil","SOFTWARE_VERSION":"Topspin 3.2","ACQUISITION_DATE":"April 2021"},

"NM":{"INSTRUMENT_NAME":"Avance III TM HD 500MHz","INSTRUMENT_TYPE":"FT-NMR","NMR_EXPERIMENT_TYPE":"1D-1H","FIELD_FREQUENCY_LOCK":"Deuterated chloroform","SPECTROMETER_FREQUENCY":"500MHz","NMR_PROBE":"TXI","NMR_SOLVENT":"CDCl3","NMR_TUBE_SIZE":"5mm","SHIMMING_METHOD":"Topshim","RECEIVER_GAIN":"203","TEMPERATURE":"298K","NUMBER_OF_SCANS":"512","ACQUISITION_TIME":"2.34s","RELAXATION_DELAY":"2s","SPECTRAL_WIDTH":"7002.801","ZERO_FILLING":"64k","BASELINE_CORRECTION_METHOD":"Manual","CHEMICAL_SHIFT_REF_STD":"TMS (tetramethylsilane)","NMR_RESULTS_FILE":"ST002295_AN003749_Results.txt UNITS:ppm"}

}