{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002554","ANALYSIS_ID":"AN004205","VERSION":"1","CREATED_ON":"April 10, 2023, 9:50 am"},

"PROJECT":{"PROJECT_TITLE":"Untargeted lipidomic analysis of blood plasma samples from drug-naïve patients with bipolar disorder and schizophrenia","PROJECT_TYPE":"Untargeted lipidomic analysis","PROJECT_SUMMARY":"In this study, we obtained a lipidomic profile of plasma samples from patients with schizophrenia (SZ) and bipolar disorder (BD) in comparison to healthy controls (CT). The sample cohort consisted of 60 drug-naïve patients and 30 control individuals. Untargeted lipidomics strategy using liquid chromatography coupled to high resolution mass spectrometry was employed to obtain the data, and univariate and multivariate statistical tools were applied to evaluate the results. Metabolic pathway networks were constructed and our results demonstrated alterations in different lipid pathways, such as glycerophospholipids, sphingolipids, and prostaglandins between schizophrenia and bipolar disorder patients.","INSTITUTE":"University of Campinas","DEPARTMENT":"Institute of Chemistry","LABORATORY":"LaBIOmics - Laboratory of Bioanalytics and Integrated Omics","LAST_NAME":"Brixner Riça","FIRST_NAME":"Larissa","ADDRESS":"Laboratório B-211 a 215 - Instituto de Química, R. Josué de Castro, 126-336 - Cidade Universitária, Campinas - SP","EMAIL":"larissabrixner@gmail.com","PHONE":"+55 19 35213060"},

"STUDY":{"STUDY_TITLE":"Untargeted lipidomic analysis of blood plasma samples from drug-naïve patients with bipolar disorder and schizophrenia","STUDY_TYPE":"Untargeted lipidomic analysis","STUDY_SUMMARY":"In this study, we obtained a lipidomic profile of plasma samples from patients with schizophrenia (SZ) and bipolar disorder (BD) in comparison to healthy controls (CT). The sample cohort consisted of 60 drug-naïve patients and 30 control individuals. Untargeted lipidomics strategy using liquid chromatography coupled to high resolution mass spectrometry was employed to obtain the data, and univariate and multivariate statistical tools were applied to evaluate the results. Metabolic pathway networks were constructed and our results demonstrated alterations in different lipid pathways, such as glycerophospholipids, sphingolipids, and prostaglandins between schizophrenia and bipolar disorder patients. The differential diagnosis is crucial for effective treatment and improving the quality of life of patients with psychotic disorders.","INSTITUTE":"University of Campinas","DEPARTMENT":"Institute of Chemistry","LABORATORY":"LaBIOmics - Laboratory of Bioanalytics and Integrated Omics","LAST_NAME":"Brixner Riça","FIRST_NAME":"Larissa","ADDRESS":"Laboratório B-211 a 215 - Instituto de Química, R. Josué de Castro, 126-336 - Cidade Universitária, Campinas - SP","EMAIL":"larissabrixner@gmail.com","PHONE":"+55 19 35213060","NUM_GROUPS":"3","TOTAL_SUBJECTS":"90","NUM_MALES":"42","NUM_FEMALES":"48"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","AGE_OR_AGE_RANGE":"15-38","GENDER":"Male and female","HUMAN_INCLUSION_CRITERIA":"--","HUMAN_EXCLUSION_CRITERIA":"Subjects with other psychiatric or neurological disorders were excluded"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"CT01",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"1","Age":"31","Years_Education":"11","RAW_FILE_NAME":"CT01.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT02",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"2","Age":"23","Years_Education":"15","RAW_FILE_NAME":"CT02.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT03",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"1","Age":"28","Years_Education":"13","RAW_FILE_NAME":"CT03.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT04",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"2","Age":"28","Years_Education":"11","RAW_FILE_NAME":"CT04.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT05",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"2","Age":"30","Years_Education":"15","RAW_FILE_NAME":"CT05.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT06",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"1","Age":"31","Years_Education":"11","RAW_FILE_NAME":"CT06.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT07",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"2","Age":"23","Years_Education":"15","RAW_FILE_NAME":"CT07.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT08",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"1","Age":"28","Years_Education":"21","RAW_FILE_NAME":"CT08.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT09",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"1","Age":"24","Years_Education":"8","RAW_FILE_NAME":"CT09.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT10",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"2","Age":"23","Years_Education":"13","RAW_FILE_NAME":"CT10.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT11",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"2","Age":"27","Years_Education":"17","RAW_FILE_NAME":"CT11.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT12",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"2","Age":"26","Years_Education":"14","RAW_FILE_NAME":"CT12.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT13",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"2","Age":"26","Years_Education":"14","RAW_FILE_NAME":"CT13.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT14",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"1","Age":"26","Years_Education":"12","RAW_FILE_NAME":"CT14.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT15",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"1","Age":"23","Years_Education":"16","RAW_FILE_NAME":"CT15.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT16",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"1","Age":"26","Years_Education":"12","RAW_FILE_NAME":"CT16.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT17",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"1","Age":"29","Years_Education":"15","RAW_FILE_NAME":"CT17.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT18",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"1","Age":"23","Years_Education":"16","RAW_FILE_NAME":"CT18.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT19",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"2","Age":"27","Years_Education":"17","RAW_FILE_NAME":"CT19.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT20",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"1","Age":"26","Years_Education":"15","RAW_FILE_NAME":"CT20.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT21",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"2","Age":"27","Years_Education":"15","RAW_FILE_NAME":"CT21.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT22",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"2","Age":"27","Years_Education":"18","RAW_FILE_NAME":"CT22.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT23",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"1","Age":"27","Years_Education":"12","RAW_FILE_NAME":"CT23.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT24",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"2","Age":"27","Years_Education":"15","RAW_FILE_NAME":"CT24.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT25",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"1","Age":"27","Years_Education":"17","RAW_FILE_NAME":"CT25.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT26",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"2","Age":"27","Years_Education":"11","RAW_FILE_NAME":"CT26.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT27",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"2","Age":"27","Years_Education":"18","RAW_FILE_NAME":"CT27.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT28",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"2","Age":"25","Years_Education":"11","RAW_FILE_NAME":"CT28.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT29",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"1","Age":"27","Years_Education":"15","RAW_FILE_NAME":"CT29.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"CT30",
"Factors":{"Group":"Control"},
"Additional sample data":{"Gender":"1","Age":"27","Years_Education":"17","RAW_FILE_NAME":"CT30.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD01",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"2","Age":"34","Years_Education":"-","RAW_FILE_NAME":"BD01.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD02",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"2","Age":"32","Years_Education":"16","RAW_FILE_NAME":"BD02.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD03",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"1","Age":"23","Years_Education":"11","RAW_FILE_NAME":"BD03.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD04",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"2","Age":"26","Years_Education":"-","RAW_FILE_NAME":"BD04.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD05",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"1","Age":"23","Years_Education":"11","RAW_FILE_NAME":"BD05.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD06",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"2","Age":"17","Years_Education":"10","RAW_FILE_NAME":"BD06.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD07",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"2","Age":"28","Years_Education":"11","RAW_FILE_NAME":"BD07.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD08",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"2","Age":"23","Years_Education":"15","RAW_FILE_NAME":"BD08.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD09",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"1","Age":"30","Years_Education":"15","RAW_FILE_NAME":"BD09.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD10",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"1","Age":"29","Years_Education":"11","RAW_FILE_NAME":"BD10.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD11",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"2","Age":"23","Years_Education":"15","RAW_FILE_NAME":"BD11.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD12",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"1","Age":"30","Years_Education":"15","RAW_FILE_NAME":"BD12.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD13",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"2","Age":"27","Years_Education":"11","RAW_FILE_NAME":"BD13.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD14",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"1","Age":"29","Years_Education":"11","RAW_FILE_NAME":"BD14.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD15",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"1","Age":"30","Years_Education":"11","RAW_FILE_NAME":"BD15.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD16",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"1","Age":"21","Years_Education":"10","RAW_FILE_NAME":"BD16.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD17",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"1","Age":"30","Years_Education":"11","RAW_FILE_NAME":"BD17.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD18",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"2","Age":"22","Years_Education":"11","RAW_FILE_NAME":"BD18.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD19",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"2","Age":"33","Years_Education":"11","RAW_FILE_NAME":"BD19.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD20",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"2","Age":"25","Years_Education":"14","RAW_FILE_NAME":"BD20.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD21",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"2","Age":"27","Years_Education":"13","RAW_FILE_NAME":"BD21.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD22",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"1","Age":"21","Years_Education":"10","RAW_FILE_NAME":"BD22.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD23",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"2","Age":"22","Years_Education":"11","RAW_FILE_NAME":"BD23.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD24",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"2","Age":"19","Years_Education":"12","RAW_FILE_NAME":"BD24.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD25",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"2","Age":"26","Years_Education":"13","RAW_FILE_NAME":"BD25.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD26",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"2","Age":"31","Years_Education":"12","RAW_FILE_NAME":"BD26.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD27",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"2","Age":"31","Years_Education":"17","RAW_FILE_NAME":"BD27.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD28",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"2","Age":"27","Years_Education":"15","RAW_FILE_NAME":"BD28.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD29",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"1","Age":"31","Years_Education":"15","RAW_FILE_NAME":"BD29.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"BD30",
"Factors":{"Group":"BD"},
"Additional sample data":{"Gender":"2","Age":"27","Years_Education":"15","RAW_FILE_NAME":"BD30.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ01",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"1","Age":"30","Years_Education":"10","RAW_FILE_NAME":"SZ01.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ02",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"1","Age":"18","Years_Education":"11","RAW_FILE_NAME":"SZ02.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ03",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"2","Age":"21","Years_Education":"11","RAW_FILE_NAME":"SZ03.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ04",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"2","Age":"30","Years_Education":"15","RAW_FILE_NAME":"SZ04.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ05",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"1","Age":"28","Years_Education":"15","RAW_FILE_NAME":"SZ05.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ06",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"1","Age":"21","Years_Education":"11","RAW_FILE_NAME":"SZ06.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ07",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"1","Age":"21","Years_Education":"11","RAW_FILE_NAME":"SZ07.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ08",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"1","Age":"28","Years_Education":"15","RAW_FILE_NAME":"SZ08.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ09",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"1","Age":"21","Years_Education":"11","RAW_FILE_NAME":"SZ09.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ10",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"1","Age":"29","Years_Education":"15","RAW_FILE_NAME":"SZ10.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ11",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"1","Age":"29","Years_Education":"15","RAW_FILE_NAME":"SZ11.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ12",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"2","Age":"38","Years_Education":"4","RAW_FILE_NAME":"SZ12.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ13",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"1","Age":"37","Years_Education":"8","RAW_FILE_NAME":"SZ13.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ14",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"1","Age":"15","Years_Education":"9","RAW_FILE_NAME":"SZ14.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ15",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"2","Age":"27","Years_Education":"13","RAW_FILE_NAME":"SZ15.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ16",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"1","Age":"15","Years_Education":"9","RAW_FILE_NAME":"SZ16.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ17",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"2","Age":"27","Years_Education":"13","RAW_FILE_NAME":"SZ17.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ18",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"1","Age":"30","Years_Education":"11","RAW_FILE_NAME":"SZ18.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ19",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"2","Age":"25","Years_Education":"15","RAW_FILE_NAME":"SZ19.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ20",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"2","Age":"24","Years_Education":"14","RAW_FILE_NAME":"SZ20.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ21",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"2","Age":"38","Years_Education":"4","RAW_FILE_NAME":"SZ21.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ22",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"2","Age":"17","Years_Education":"11","RAW_FILE_NAME":"SZ22.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ23",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"2","Age":"24","Years_Education":"14","RAW_FILE_NAME":"SZ23.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ24",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"1","Age":"30","Years_Education":"11","RAW_FILE_NAME":"SZ24.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ25",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"2","Age":"25","Years_Education":"15","RAW_FILE_NAME":"SZ25.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ26",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"2","Age":"28","Years_Education":"15","RAW_FILE_NAME":"SZ26.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ27",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"2","Age":"28","Years_Education":"15","RAW_FILE_NAME":"SZ27.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ28",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"1","Age":"37","Years_Education":"11","RAW_FILE_NAME":"SZ28.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ29",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"2","Age":"17","Years_Education":"11","RAW_FILE_NAME":"SZ29.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"SZ30",
"Factors":{"Group":"SZ"},
"Additional sample data":{"Gender":"1","Age":"37","Years_Education":"11","RAW_FILE_NAME":"SZ30.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"QC_1_2",
"Factors":{"Group":"QC"},
"Additional sample data":{"Gender":"na","Age":"na","Years_Education":"na","RAW_FILE_NAME":"QC_1_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"QC_2",
"Factors":{"Group":"QC"},
"Additional sample data":{"Gender":"na","Age":"na","Years_Education":"na","RAW_FILE_NAME":"QC_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"QC_2_2",
"Factors":{"Group":"QC"},
"Additional sample data":{"Gender":"na","Age":"na","Years_Education":"na","RAW_FILE_NAME":"QC_2_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"QC_2_3",
"Factors":{"Group":"QC"},
"Additional sample data":{"Gender":"na","Age":"na","Years_Education":"na","RAW_FILE_NAME":"QC_2_3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"QC_2_4",
"Factors":{"Group":"QC"},
"Additional sample data":{"Gender":"na","Age":"na","Years_Education":"na","RAW_FILE_NAME":"QC_2_4.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"QC_3",
"Factors":{"Group":"QC"},
"Additional sample data":{"Gender":"na","Age":"na","Years_Education":"na","RAW_FILE_NAME":"QC_3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"QC_4",
"Factors":{"Group":"QC"},
"Additional sample data":{"Gender":"na","Age":"na","Years_Education":"na","RAW_FILE_NAME":"QC_4.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"QC_4_2",
"Factors":{"Group":"QC"},
"Additional sample data":{"Gender":"na","Age":"na","Years_Education":"na","RAW_FILE_NAME":"QC_4_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"QC_4_3",
"Factors":{"Group":"QC"},
"Additional sample data":{"Gender":"na","Age":"na","Years_Education":"na","RAW_FILE_NAME":"QC_4_3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"QC_5",
"Factors":{"Group":"QC"},
"Additional sample data":{"Gender":"na","Age":"na","Years_Education":"na","RAW_FILE_NAME":"QC_5.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"QC_5_2",
"Factors":{"Group":"QC"},
"Additional sample data":{"Gender":"na","Age":"na","Years_Education":"na","RAW_FILE_NAME":"QC_5_2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"QC_5_3",
"Factors":{"Group":"QC"},
"Additional sample data":{"Gender":"na","Age":"na","Years_Education":"na","RAW_FILE_NAME":"QC_5_3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"QC_5_4",
"Factors":{"Group":"QC"},
"Additional sample data":{"Gender":"na","Age":"na","Years_Education":"na","RAW_FILE_NAME":"QC_5_4.mzML"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Blood samples of all subjects were collected in EDTA-coated tubes (BD Vacuntainer®, Becton Dickinson, Franklin Lakes, USA) for plasma metabolite determination after 8 hours of fasting. Samples were centrifuged at 20 °C at 1800 g for 15 minutes and were were stored at -80 ºC prior to lipid extraction.","SAMPLE_TYPE":"Blood (plasma)","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"The study was conducted at the Institute of Psychiatry, University of Sao Paulo, Brazil. The sample consisted of 60 drug-naïve patients (30 SZ and 30 BD) and 30 healthy controls (CT). All participants were under 60 years old and were middle-income, community-dwelling subjects from the hospital catchment area. SZ diagnosis was established according to the Diagnostic and Statistical Manual of Mental Disorders (DSM-IV) (Bell, 1994) and SCID-I/P-Structured Clinical Interview Disorders Axis I for DSM-IV version 2.0 (First, 1997) was used to confirm the diagnosis. Psychopathology was assessed using the Positive and Negative Symptoms Scale (PANSS) (Kay et al., 1987) including the positive and negative subscales and general psychopathology. Depressive and manic symptoms were assessed for BD patients by the Hamilton Depression Rating Scale (HAM-D) (Hamilton, 1960) and Young's Mania Rating Scale (YMRS) (Young et al., 1978). Subjects with other psychiatric or neurological disorders were excluded. References cited: Bell, C.C. DSM-IV: Diagnostic and Statistical Manual of Mental Disorders. JAMA 1994, 272, 828–829. Spitzer, M.; Robert, L.; Gibbon, M.; Williams, J. Structured Clinical Interview for DSM-IV-TR Axis I Disorders, Research Version, Non-Patient Edition (SCID-I/NP). New York: Biometrics Research, New York State Psychiatric Institute 2002. Kay, S.R.; Fiszbein, A.; Opler, L.A. The Positive and Negative Syndrome Scale (PANSS) for Schizophrenia. Schizophr Bull 1987, 13, 261–276. Hamilton, M. A RATING SCALE FOR DEPRESSION. J Neurol Neurosurg Psychiatry 1960, 23, 56–62.","HUMAN_FASTING":"8 h"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Plasma lipids were extracted using the SIMPLEX method (Coman et al., 2016, DOI: 10.1074/mcp.m115.053702). Briefly, the plasma samples were incubated with cold methanol and MTBE, followed by the addition of a 0.1% (m/v) ammonium acetate solution to induce phase separation. The supernatant con-taining lipids, was collected and the solvents were removed with a vacuum concentrator (Eppendorf, Hamburg, Germany). The microtubes with the extracted lipids were stored at -80 ºC prior to UHPLC-MS analysis.","EXTRACTION_METHOD":"Simultaneous Metabolite, Protein, Lipid Extraction (SIMPLEX)","EXTRACT_STORAGE":"-80℃"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Ultra-high performance liquid chromatography coupled to mass spectrometry (UHPLC-MS) analyses were performed on an UltiMate 3000 UHPLC system (Thermo Fisher Scientific, Waltham, MA, USA) coupled to a QExactive Orbitrap mass spectrometer (Thermo Fisher Scientific). The chromatographic separation was done on an ACQUITY CSH C18 (2.1 ⨯ 100 mm, 1.7 μm) column (Waters, Milford, MA, USA) and the temperature of the column oven was set to 55 ºC. The mobile phase A consisted of an ACN:water mixture (60:40) with 1 mmol/L ammonium formate and 0.1% (v/v) formic acid, and the mobile phase B consisted of an IPA:ACN mixture (90:10) with 1 mmol/L ammonium formate and 0.1% (v/v) formic acid. The flow rate was 0.4 mL/min and the injection volume was 5 μL for each sample. The gradient elution program consisted of a first linear gradient from solvent (A/B: 60/40) to solvent (A/B: 57/43) over 2 min; a rapid increase to solvent (A/B: 50/50); a second linear gradient to solvent (A/B: 46/54) over 10 min; a rapid increase to solvent (A/B: 30/70); a third linear gradient to solvent (A/B: 1/99) over 6 min; a rapid de-crease to solvent (A/B: 60/40); and finally, an isocratic elution of the solvent (A/B: 60/40) for 2 min. The column was equilibrated with solvent (A/B: 60/40) for 5 min before reuse. The total run time was 25 min for each analysis. Samples were randomized prior to analysis. To verify system stability, quality control (QC) samples were injected at the start and at the end of a run and after every 10th sample.","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"UltiMate 3000 UHPLC system (Thermo Fisher Scientific)","COLUMN_NAME":"ACQUITY CSH C18 (2.1 ⨯ 100 mm, 1.7 μm) column (Waters)","SOLVENT_A":"60% acetonitrile/40% water; 1 mM ammonium formate; 0.1% formic acid","SOLVENT_B":"90% isopropanol/10% acetonitrile; 1mM ammonium formate; 0.1% formic acid","FLOW_GRADIENT":"Gradient elution program (view Summary)","FLOW_RATE":"0.4 mL/min","COLUMN_TEMPERATURE":"55","SAMPLE_INJECTION":"5 μL"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"MS scans were acquired in electrospray ionization (ESI) negative mode from m/z 100 to 1500 with a resolution of 70,000. MS target values and maximum injection time were 3 ⨯ 106 ions and 200 ms, respectively. The .raw files were converted to .mzML with the MSConvert software (ProteoWizard, Palo Alto, CA, USA). Using RStudio (RStudio, Boston, MA, USA), the parameters for data processing with the ‘xcms’ package were optimized with the ‘IPO’ package based on QC samples. With the optimized parameters, all the files were processed with ‘xcms’ and, afterwards, the data were organized in a peak list with the ‘CAMERA’ package, followed by the median fold change normalization.","MS_RESULTS_FILE":"ST002554_AN004205_Results.txt UNITS:Intensity Has m/z:Yes Has RT:Yes RT units:Seconds"}

}