{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002158","ANALYSIS_ID":"AN003534","VERSION":"1","CREATED_ON":"April 29, 2022, 1:35 am"},

"PROJECT":{"PROJECT_TITLE":"Metabolomic profiles of S. mekongi-infected mouse serum at 0, 2, 4, 8 weeks (Positive mode)","PROJECT_SUMMARY":"Serum of uninfected and S. mekongi-infected mice was collected at 2, 4, and 8 weeks post-infection. Samples were extracted for metabolites and analyzed with a liquid chromatography-tandem mass spectrometer.","INSTITUTE":"Princess Srisavangavadhana College of Medicine, Chulabhorn Royal Academy","LAST_NAME":"Chienwichai","FIRST_NAME":"Peerut","ADDRESS":"906, Kamphaeng Phet 6 Rd., Lak Si, Bangkok, 10210, Thailand","EMAIL":"peerut.chi@cra.ac.th","PHONE":"+6681687460"},

"STUDY":{"STUDY_TITLE":"Untargeted serum metabolomic profiling for early detection of Schistosoma mekongi infection in mouse model","STUDY_SUMMARY":"Mekong schistosomiasis is a parasitic disease caused by blood flukes in the Lao People’s Democratic Republic and in Cambodia. The standard method for diagnosis of schistosomiasis is detection of parasite eggs from patient samples. However, this method is not sufficient to detect asymptomatic patients, low egg numbers, or early infection. Therefore, diagnostic methods with higher sensitivity at the early stage of the disease are needed to fill this gap. The aim of this study was to identify potential biomarkers of early schistosomiasis using an untargeted metabolomics approach. Serum of uninfected and S. mekongi-infected mice was collected at 2, 4, and 8 weeks post-infection. Samples were extracted for metabolites and analyzed with a liquid chromatography-tandem mass spectrometer. Metabolites were annotated with the MS-DIAL platform and analyzed with Metaboanalyst bioinformatic tools. Multivariate analysis distinguished between metabolites from the different experimental conditions. Biomarker screening was performed using three methods: correlation coefficient analysis; feature important detection with a random forest algorithm; and receiver operating characteristic (ROC) curve analysis. Three compounds were identified as potential biomarkers at the early stage of the disease: heptadecanoyl ethanolamide; picrotin; and theophylline. The levels of these three compounds changed significantly during early-stage infection, and therefore these molecules may be promising schistosomiasis markers. These findings may help to improve early diagnosis of schistosomiasis, thus reducing the burden on patients and limiting spread of the disease in endemic areas.","INSTITUTE":"Princess Srisavangavadhana College of Medicine, Chulabhorn Royal Academy","LAST_NAME":"Chienwichai","FIRST_NAME":"Peerut","ADDRESS":"906, Kamphaeng Phet 6 Rd., Lak Si, Bangkok, 10210, Thailand","EMAIL":"peerut.chi@cra.ac.th","PHONE":"+6681687460"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"Control 1",
"Factors":{"Experimental factor":"No infection"},
"Additional sample data":{"RAW_FILE_NAME":"20200831_Met_IDA_Pos_smk0_1","RAW_FILE_NAME":"20200831_Met_IDA_Neg_smk0_1"}
},
{
"Subject ID":"-",
"Sample ID":"Control 2",
"Factors":{"Experimental factor":"No infection"},
"Additional sample data":{"RAW_FILE_NAME":"20200831_Met_IDA_Pos_smk0_2","RAW_FILE_NAME":"20200831_Met_IDA_Neg_smk0_2"}
},
{
"Subject ID":"-",
"Sample ID":"Control 3",
"Factors":{"Experimental factor":"No infection"},
"Additional sample data":{"RAW_FILE_NAME":"20200831_Met_IDA_Pos_smk0_3","RAW_FILE_NAME":"20200831_Met_IDA_Neg_smk0_3"}
},
{
"Subject ID":"-",
"Sample ID":"Control 4",
"Factors":{"Experimental factor":"No infection"},
"Additional sample data":{"RAW_FILE_NAME":"20200831_Met_IDA_Pos_smk0_4","RAW_FILE_NAME":"20200831_Met_IDA_Neg_smk0_4"}
},
{
"Subject ID":"-",
"Sample ID":"Control 5",
"Factors":{"Experimental factor":"No infection"},
"Additional sample data":{"RAW_FILE_NAME":"20200831_Met_IDA_Pos_smk0_5","RAW_FILE_NAME":"20200831_Met_IDA_Neg_smk0_5"}
},
{
"Subject ID":"-",
"Sample ID":"2-Week post-infection 1",
"Factors":{"Experimental factor":"2 weeks after infection"},
"Additional sample data":{"RAW_FILE_NAME":"20200831_Met_IDA_Pos_smk14_1","RAW_FILE_NAME":"20200831_Met_IDA_Neg_smk14_1"}
},
{
"Subject ID":"-",
"Sample ID":"2-Week post-infection 2",
"Factors":{"Experimental factor":"2 weeks after infection"},
"Additional sample data":{"RAW_FILE_NAME":"20200831_Met_IDA_Pos_smk14_2","RAW_FILE_NAME":"20200831_Met_IDA_Neg_smk14_2"}
},
{
"Subject ID":"-",
"Sample ID":"2-Week post-infection 3",
"Factors":{"Experimental factor":"2 weeks after infection"},
"Additional sample data":{"RAW_FILE_NAME":"20200831_Met_IDA_Pos_smk14_3","RAW_FILE_NAME":"20200831_Met_IDA_Neg_smk14_3"}
},
{
"Subject ID":"-",
"Sample ID":"2-Week post-infection 4",
"Factors":{"Experimental factor":"2 weeks after infection"},
"Additional sample data":{"RAW_FILE_NAME":"20200831_Met_IDA_Pos_smk14_4","RAW_FILE_NAME":"20200831_Met_IDA_Neg_smk14_4"}
},
{
"Subject ID":"-",
"Sample ID":"2-Week post-infection 5",
"Factors":{"Experimental factor":"2 weeks after infection"},
"Additional sample data":{"RAW_FILE_NAME":"20200831_Met_IDA_Pos_smk14_5","RAW_FILE_NAME":"20200831_Met_IDA_Neg_smk14_5"}
},
{
"Subject ID":"-",
"Sample ID":"4-Week post-infection 1",
"Factors":{"Experimental factor":"4 weeks after infection"},
"Additional sample data":{"RAW_FILE_NAME":"20200831_Met_IDA_Pos_smk28_1","RAW_FILE_NAME":"20200831_Met_IDA_Neg_smk28_1"}
},
{
"Subject ID":"-",
"Sample ID":"4-Week post-infection 2",
"Factors":{"Experimental factor":"4 weeks after infection"},
"Additional sample data":{"RAW_FILE_NAME":"20200831_Met_IDA_Pos_smk28_2","RAW_FILE_NAME":"20200831_Met_IDA_Neg_smk28_2"}
},
{
"Subject ID":"-",
"Sample ID":"4-Week post-infection 3",
"Factors":{"Experimental factor":"4 weeks after infection"},
"Additional sample data":{"RAW_FILE_NAME":"20200831_Met_IDA_Pos_smk28_3","RAW_FILE_NAME":"20200831_Met_IDA_Neg_smk28_3"}
},
{
"Subject ID":"-",
"Sample ID":"4-Week post-infection 4",
"Factors":{"Experimental factor":"4 weeks after infection"},
"Additional sample data":{"RAW_FILE_NAME":"20200831_Met_IDA_Pos_smk28_4","RAW_FILE_NAME":"20200831_Met_IDA_Neg_smk28_4"}
},
{
"Subject ID":"-",
"Sample ID":"4-Week post-infection 5",
"Factors":{"Experimental factor":"4 weeks after infection"},
"Additional sample data":{"RAW_FILE_NAME":"20200831_Met_IDA_Pos_smk28_5","RAW_FILE_NAME":"20200831_Met_IDA_Neg_smk28_5"}
},
{
"Subject ID":"-",
"Sample ID":"8-Week post-infection 1",
"Factors":{"Experimental factor":"8 weeks after infection"},
"Additional sample data":{"RAW_FILE_NAME":"20200831_Met_IDA_Pos_smk56_1","RAW_FILE_NAME":"20200831_Met_IDA_Neg_smk56_1"}
},
{
"Subject ID":"-",
"Sample ID":"8-Week post-infection 2",
"Factors":{"Experimental factor":"8 weeks after infection"},
"Additional sample data":{"RAW_FILE_NAME":"20200831_Met_IDA_Pos_smk56_2","RAW_FILE_NAME":"20200831_Met_IDA_Neg_smk56_2"}
},
{
"Subject ID":"-",
"Sample ID":"8-Week post-infection 3",
"Factors":{"Experimental factor":"8 weeks after infection"},
"Additional sample data":{"RAW_FILE_NAME":"20200831_Met_IDA_Pos_smk56_3","RAW_FILE_NAME":"20200831_Met_IDA_Neg_smk56_3"}
},
{
"Subject ID":"-",
"Sample ID":"8-Week post-infection 4",
"Factors":{"Experimental factor":"8 weeks after infection"},
"Additional sample data":{"RAW_FILE_NAME":"20200831_Met_IDA_Pos_smk56_4","RAW_FILE_NAME":"20200831_Met_IDA_Neg_smk56_4"}
},
{
"Subject ID":"-",
"Sample ID":"8-Week post-infection 5",
"Factors":{"Experimental factor":"8 weeks after infection"},
"Additional sample data":{"RAW_FILE_NAME":"20200831_Met_IDA_Pos_smk56_5","RAW_FILE_NAME":"20200831_Met_IDA_Neg_smk56_5"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"5 Mice were infected with S. mekongi and serum samples were collected at 0, 2, 4, and 8 weeks after infection. Metabolite profiling was performed with mass spectrometer.","SAMPLE_TYPE":"Blood (serum)"},

"TREATMENT":{"TREATMENT_SUMMARY":"Blood was collected at 0, 2,4, and 8 weeks after infection"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"20 μL serum was mixed with 80 μL cold methanol and vortexed for 1 minute. This mixture was then incubated at 4°C for 20 minutes and centrifuged at 12,000 rpm for 10 minutes. Next, the supernatant was collected and dried with a speed vacuum (Tomy Digital Biology, Tokyo, Japan). Samples were stored at −80°C until further analysis"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Agilent 1260","COLUMN_NAME":"Waters Acquity BEH C8 (100 x 2.1mm, 1.7um)"},

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

"MS":{"INSTRUMENT_NAME":"ABI Sciex 5600+ TripleTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"Information-dependent acquisition mode composed of a TOF-MS scan and 10 dependent product ion scans were used in the high sensitivity mode with dynamic background subtraction. The mass range of the TOF-MS scan was m/z 100–1,000 and the product ion scan was set to m/z 50−1,000. Equal aliquots of each metabolite sample were pooled to form the quality control (QC) samples. The QC samples were injected before, during, and after sample analysis to assess the system performance.","MS_RESULTS_FILE":"ST002158_AN003534_Results.txt UNITS:m/z Has m/z:Yes Has RT:Yes RT units:Minutes"}

}