{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003015","ANALYSIS_ID":"AN004948","VERSION":"1","CREATED_ON":"December 18, 2023, 5:42 pm"},

"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-Ⅰ)","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"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"20220725.1.fid#1",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.1.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.2.fid#2",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.2.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.3.fid#3",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.3.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.4.fid#4",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.4.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.5.fid#5",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.5.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.6.fid#6",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.6.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.7.fid#7",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.7.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.8.fid#8",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.8.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.9.fid#9",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.9.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.10.fid#10",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.10.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.11.fid#11",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.11.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.12.fid#12",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.12.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.13.fid#13",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.13.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.14.fid#14",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.14.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.15.fid#15",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.15.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.16.fid#16",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.16.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.17.fid#17",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.17.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.18.fid#18",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.18.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.19.fid#19",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.19.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.20.fid#20",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.20.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.21.fid#21",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.21.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.22.fid#22",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.22.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.23.fid#23",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.23.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.24.fid#24",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.24.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.25.fid#25",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.25.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.26.fid#26",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.26.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.27.fid#27",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.27.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.28.fid#28",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.28.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.29.fid#29",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.29.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.30.fid#30",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.30.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.31.fid#31",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.31.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.32.fid#32",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.32.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.33.fid#33",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.33.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.34.fid#34",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.34.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.35.fid#35",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.35.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.36.fid#36",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.36.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.37.fid#37",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.37.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.38.fid#38",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.38.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.39.fid#39",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.39.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.40.fid#40",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.40.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.41.fid#41",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.41.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.42.fid#42",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.42.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.43.fid#43",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.43.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.44.fid#44",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.44.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.45.fid#45",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.45.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.46.fid#46",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.46.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.47.fid#47",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.47.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.48.fid#48",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.48.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.49.fid#49",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.49.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.50.fid#50",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.50.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.51.fid#51",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.51.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.52.fid#52",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.52.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.53.fid#53",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.53.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.54.fid#54",
"Factors":{"Fator":"Tumor tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.54.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.55.fid#55",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.55.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.56.fid#56",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.56.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.57.fid#57",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.57.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.58.fid#58",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.58.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.59.fid#59",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.59.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.60.fid#60",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.60.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.61.fid#61",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.61.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.62.fid#62",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.62.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.63.fid#63",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.63.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.64.fid#64",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.64.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.65.fid#65",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.65.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.66.fid#66",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.66.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.67.fid#67",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.67.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.68.fid#68",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.68.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.69.fid#69",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.69.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.70.fid#70",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.70.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.71.fid#71",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.71.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.72.fid#72",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.72.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.73.fid#73",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.73.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.74.fid#74",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.74.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.75.fid#75",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.75.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.76.fid#76",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.76.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.77.fid#77",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.77.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.78.fid#78",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.78.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.79.fid#79",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.79.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.80.fid#80",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.80.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.81.fid#81",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.81.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.82.fid#82",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.82.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.83.fid#83",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.83.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.84.fid#84",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.84.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.85.fid#85",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.85.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.86.fid#86",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.86.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.87.fid#87",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.87.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.88.fid#88",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.88.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.89.fid#89",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.89.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.90.fid#90",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.90.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.91.fid#91",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.91.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.92.fid#92",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.92.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.93.fid#93",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.93.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.94.fid#94",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.94.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.95.fid#95",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.95.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.96.fid#96",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.96.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.97.fid#97",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.97.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.98.fid#98",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.98.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.99.fid#99",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.99.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.100.fid#100",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.100.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.101.fid#101",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.101.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.102.fid#102",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.102.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.103.fid#103",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.103.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.104.fid#104",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.104.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.105.fid#105",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.105.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.106.fid#106",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.106.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.107.fid#107",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.107.fid"}
},
{
"Subject ID":"-",
"Sample ID":"20220725.108.fid#108",
"Factors":{"Fator":"Normal tissue"},
"Additional sample data":{"RAW_FILE_NAME":"Raw_ESCC Tissue.108.fid"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Tissue samples, including tumor and normal areas 5 cm away, were obtained under the guidance of experienced pathologists without compromising the patients'' pathology examinations. The collected tissue was rinsed with PBS to avoid contamination, excess moisture was removed, and it was rapidly frozen in liquid nitrogen to arrest enzymatic or chemical reactions. Samples were stored at −80°C until metabolite extraction.","COLLECTION_PROTOCOL_FILENAME":"Tissue_collection_uploaded.pdf","SAMPLE_TYPE":"Tissue","STORAGE_CONDITIONS":"-80℃"},

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

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Tissue homogenate preparation: Tissue samples weighing 300 mg were ground using a 60 Hz grinder at 4 °C for 1 min in a mixture of 4 mL/g of CH3OH and 2 mL/g of ultrapure water. The resulting homogenate was then subjected to vortexing for 1 min after adding 4 mL/g of CHCl3 and 4 mL/g of ultrapure water. The mixture was allowed to settle on ice for 15 mins and subsequently centrifuged at 10,000 rpm for 10 mins at 4 °C. The supernatant was carefully transferred to a new 5 mL Eppendorf (EP) tube and treated with running nitrogen to remove the methanol. The resulting liquid was freeze-dried at −80°C until further analysis. The freeze-dried powder was dissolved in 550 μL of PBS/D2O buffer (pH 7.4, 150 mM), which contained 0.05% TMSP-2,2,3,3-D4 (D, 98%) SODIUM-3-TRIMETHYLSILYLPROPIONATE (TSP, Cambridge Isotope Laboratories (CIL), Inc. #DLM-48, CAS #24493-21-8)). After thorough mixing, the solution was centrifuged at 10,000 rpm for 10 min at 4 °C. Finally, 500 μL of the supernatant was transferred into a 5 mm NMR tube (NORELL, #S55 SECURE SERIES) for analysis.","SAMPLEPREP_PROTOCOL_FILENAME":"Tissue_preparation.pdf","PROCESSING_STORAGE_CONDITIONS":"4℃","EXTRACT_STORAGE":"4℃"},

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

"NM":{"INSTRUMENT_NAME":"600 MHz Bruker Avance III","INSTRUMENT_TYPE":"FT-NMR","NMR_EXPERIMENT_TYPE":"1D-1H","SPECTROMETER_FREQUENCY":"600 MHz","NMR_SOLVENT":"H2O+D2O","NMR_RESULTS_FILE":"ST003015_AN004948_Results.txt UNITS:gauss"}

}