{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003013","ANALYSIS_ID":"AN004946","VERSION":"1","CREATED_ON":"December 18, 2023, 10:28 am"},

"PROJECT":{"PROJECT_TITLE":"NMR- and MS-based omics reveal characteristic metabolome atlas and optimize biofluid earlydiagnostic biomarkers for esophageal squamous cell carcinoma","PROJECT_SUMMARY":"Metabolic changes precede malignant histology. However, it remains unclear whether detectable characteristic metabolome exists in esophageal squamous cell carcinoma (ESCC) tissues and biofluids for early diagnosis. We conducted NMR- and MS-based metabolomics on 1,153 matched ESCC tissues, normal mucosae, pre- and one-week post-operative sera and urines from 560 participants across three hospitals, with machine learning, logistic regression and WGCNA. Aberrations in ''alanine, aspartate and glutamate metabolism'' proved to be prevalent throughout the ESCC evolution, and were reflected in 16 serum and 10 urine metabolic signatures that were consistently identified by NMR and MS in both discovery and validation sets. NMR-based simplified panels of any five serum or urine metabolites outperformed clinical serological tumor markers (AUC = 0.984 and 0.930, respectively), and were effective in distinguishing early-stage ESCC in test set (serum accuracy = 0.994, urine accuracy = 0.879). Collectively, NMR-based biofluid screening can reveal characteristic metabolic events of ESCC and be feasible for early detection (ChiCTR2300073613).","INSTITUTE":"Radiology Department, Second Affiliated Hospital, Shantou University Medical College, Shantou","LAST_NAME":"Lin","FIRST_NAME":"Yan","ADDRESS":"No. 69, Dongxia North Road, Shantou, Guangdong, China","EMAIL":"994809889@qq.com","PHONE":"+86 18823992148"},

"STUDY":{"STUDY_TITLE":"NMR- and MS-based omics reveal characteristic metabolome atlas and optimize biofluid earlydiagnostic biomarkers for esophageal squamous cell carcinoma (part-Ⅱ)","STUDY_SUMMARY":"Metabolic changes precede malignant histology. However, it remains unclear whether detectable characteristic metabolome exists in esophageal squamous cell carcinoma (ESCC) tissues and biofluids for early diagnosis. We conducted NMR- and MS-based metabolomics on 1,153 matched ESCC tissues, normal mucosae, pre- and one-week post-operative sera and urines from 560 participants across three hospitals, with machine learning, logistic regression and WGCNA. Aberrations in ''alanine, aspartate and glutamate metabolism'' proved to be prevalent throughout the ESCC evolution, and were reflected in 16 serum and 10 urine metabolic signatures that were consistently identified by NMR and MS in both discovery and validation sets. NMR-based simplified panels of any five serum or urine metabolites outperformed clinical serological tumor markers (AUC = 0.984 and 0.930, respectively), and were effective in distinguishing early-stage ESCC in test set (serum accuracy = 0.994, urine accuracy = 0.879). Collectively, NMR-based biofluid screening can reveal characteristic metabolic events of ESCC and be feasible for early detection (ChiCTR2300073613).","INSTITUTE":"Radiology Department, Second Affiliated Hospital, Shantou University Medical College, Shantou","LAST_NAME":"Lin","FIRST_NAME":"Yan","ADDRESS":"No. 69, Dongxia North Road, Shantou, Guangdong, China","EMAIL":"994809889@qq.com","PHONE":"+86 18823992148"},

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{
"Subject ID":"-",
"Sample ID":"EC Sera-20220608.1.fid#103",
"Factors":{"Fator":"Post-operation"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Serum.103.fid"}
},
{
"Subject ID":"-",
"Sample ID":"EC Sera-20220608.1.fid#104",
"Factors":{"Fator":"Post-operation"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Serum.104.fid"}
},
{
"Subject ID":"-",
"Sample ID":"EC Sera-20220608.1.fid#105",
"Factors":{"Fator":"Post-operation"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Serum.105.fid"}
},
{
"Subject ID":"-",
"Sample ID":"EC Sera-20220608.1.fid#106",
"Factors":{"Fator":"Post-operation"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Serum.106.fid"}
},
{
"Subject ID":"-",
"Sample ID":"EC Sera-20220608.1.fid#107",
"Factors":{"Fator":"Post-operation"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Serum.107.fid"}
},
{
"Subject ID":"-",
"Sample ID":"EC Sera-20220608.1.fid#108",
"Factors":{"Fator":"Post-operation"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Serum.108.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.1.fid#131",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.1.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.2.fid#132",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.2.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.3.fid#133",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.3.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.4.fid#134",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.4.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.5.fid#135",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.5.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.6.fid#136",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.6.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.7.fid#137",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.7.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.8.fid#138",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.8.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.9.fid#139",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.9.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.10.fid#140",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.10.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.11.fid#141",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.11.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.12.fid#142",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.12.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.13.fid#143",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.13.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.14.fid#144",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.14.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.15.fid#145",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.15.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.16.fid#146",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.16.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.17.fid#147",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.17.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.18.fid#148",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.18.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.19.fid#149",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.19.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.20.fid#150",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.20.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.21.fid#151",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.21.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.22.fid#152",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.22.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.23.fid#153",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.23.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.24.fid#154",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.24.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.25.fid#155",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.25.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.26.fid#156",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.26.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.27.fid#157",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.27.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.28.fid#158",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.28.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.29.fid#159",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.29.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.30.fid#160",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.30.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.31.fid#161",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.31.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.32.fid#162",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.32.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.33.fid#163",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.33.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.34.fid#164",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.34.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.35.fid#165",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.35.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.36.fid#166",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.36.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.37.fid#167",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.37.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.38.fid#168",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.38.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.39.fid#169",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.39.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.40.fid#170",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.40.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.41.fid#171",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.41.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.42.fid#172",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.42.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.43.fid#173",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.43.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.44.fid#174",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.44.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.45.fid#175",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.45.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.46.fid#176",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.46.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.47.fid#177",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.47.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.48.fid#178",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.48.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.49.fid#179",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.49.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.50.fid#180",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.50.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.51.fid#181",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.51.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.52.fid#182",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.52.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.53.fid#183",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.53.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.54.fid#184",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.54.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.55.fid#185",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.55.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.56.fid#186",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.56.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.57.fid#187",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.57.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.58.fid#188",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.58.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.59.fid#189",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.59.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.60.fid#190",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.60.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.61.fid#191",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.61.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.62.fid#192",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.62.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.63.fid#193",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.63.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.64.fid#194",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.64.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.65.fid#195",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.65.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.66.fid#196",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.66.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.67.fid#197",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.67.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.68.fid#198",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.68.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.69.fid#199",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.69.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.70.fid#200",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.70.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.71.fid#201",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.71.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.72.fid#202",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.72.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.73.fid#203",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.73.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.74.fid#204",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.74.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.75.fid#205",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.75.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.76.fid#206",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.76.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.77.fid#207",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.77.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.78.fid#208",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.78.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.79.fid#209",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.79.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.80.fid#210",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.80.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.81.fid#211",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.81.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.82.fid#212",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.82.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.83.fid#213",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.83.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.84.fid#214",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.84.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.85.fid#215",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.85.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.86.fid#216",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.86.fid"}
},
{
"Subject ID":"-",
"Sample ID":"HC2.87.fid#217",
"Factors":{"Fator":"HC"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_HC Sera.87.fid"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Serum samples: Fasting blood was drawn into additive-free vacuum blood collection tubes, taking care to avoid hemolysis. Samples were left to clot naturally for 30 minutes and then centrifuged for 10 minutes at 3000 rpm and 4°C. Following centrifugation, the serum supernatant was aliquoted into storage tubes, promptly frozen in liquid nitrogen, and stored at −80°C until analysis.","COLLECTION_PROTOCOL_FILENAME":"NMR_Serum_collection_uploaded.pdf","SAMPLE_TYPE":"Blood (serum)","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"None"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Serum preparation: A total of 400 μL of serum was combined with 200 μL of PBS/D2O buffer (pH 7.4, containing 0.9% NaCl) using vortexing to ensure thorough mixing. The resulting mixture was then centrifuged at 10,000 rpm for 10 min at 4°C. Finally, the supernatant, which amounted to 550 μL, was carefully transferred into a 5 mm NMR tube for further analysis.","SAMPLEPREP_PROTOCOL_FILENAME":"Serum_preparation_uploaded.pdf","PROCESSING_STORAGE_CONDITIONS":"4℃","EXTRACT_STORAGE":"4℃"},

"ANALYSIS":{"ANALYSIS_TYPE":"NMR"},

"NM":{"INSTRUMENT_NAME":"6000 MHz Bruker Avance III","INSTRUMENT_TYPE":"FT-NMR","NMR_EXPERIMENT_TYPE":"1D-1H","SPECTROMETER_FREQUENCY":"600 MHz","NMR_SOLVENT":"H2O+D2O","NMR_RESULTS_FILE":"ST003013_AN004946_Results.txt UNITS:gauss"}

}