#METABOLOMICS WORKBENCH WanshanLiu_20240120_025238 DATATRACK_ID:4602 STUDY_ID:ST003048 ANALYSIS_ID:AN004999 PROJECT_ID:PR001898 VERSION 1 CREATED_ON January 20, 2024, 5:01 am #PROJECT PR:PROJECT_TITLE Identification and validation of serum metabolite biomarkers for endometrial PR:PROJECT_TITLE cancer diagnosis PR:PROJECT_TYPE Biomarker, Endometrial cancer, Machine learning, Mass spectrometry, Metabolite PR:PROJECT_SUMMARY Endometrial cancer (EC) stands as the most prevalent gynecological tumor in PR:PROJECT_SUMMARY women worldwide. Notably, differentiation diagnosis of abnormity detected by PR:PROJECT_SUMMARY ultrasound findings (e.g., thickened endometrium or mass in the uterine cavity) PR:PROJECT_SUMMARY is essential and remains challenging in clinical practice. Herein, we identified PR:PROJECT_SUMMARY a metabolic biomarker panel for differentiation diagnosis of EC using machine PR:PROJECT_SUMMARY learning of high-performance serum metabolic fingerprints (SMFs) and validated PR:PROJECT_SUMMARY the biological function. We first recorded the high-performance SMFs of 191 EC PR:PROJECT_SUMMARY and 204 Non-EC subjects via particle-enhanced laser desorption/ionization mass PR:PROJECT_SUMMARY spectrometry (PELDI-MS). Then, we achieved an area-under-the-curve (AUC) of PR:PROJECT_SUMMARY 0.957-0.968 for EC diagnosis through machine learning of high-performance SMFs, PR:PROJECT_SUMMARY outperforming the clinical biomarker of cancer antigen 125 (CA-125, AUC of PR:PROJECT_SUMMARY 0.610-0.684, P < 0.05). Finally, we identified a metabolic biomarker panel of PR:PROJECT_SUMMARY glutamine, glucose, and cholesterol linoleate with an AUC of 0.901-0.902 and PR:PROJECT_SUMMARY validated the biological function in vitro. Therefore, our work would facilitate PR:PROJECT_SUMMARY the development of novel diagnostic biomarkers for EC in clinics. PR:INSTITUTE Shanghai Jiao Tong University PR:DEPARTMENT School of Biomedical Engineering PR:LAST_NAME Liu PR:FIRST_NAME Wanshan PR:ADDRESS 1954 Huashan Road, Shanghai, China PR:EMAIL liuwanshan@sjtu.edu.cn PR:PHONE +86-13262629289 #STUDY ST:STUDY_TITLE Identification and validation of serum metabolite biomarkers for endometrial ST:STUDY_TITLE cancer diagnosis ST:STUDY_TYPE Biomarker, Endometrial cancer, Machine learning, Mass spectrometry, Metabolite ST:STUDY_SUMMARY Endometrial cancer (EC) stands as the most prevalent gynecological tumor in ST:STUDY_SUMMARY women worldwide. Notably, differentiation diagnosis of abnormity detected by ST:STUDY_SUMMARY ultrasound findings (e.g., thickened endometrium or mass in the uterine cavity) ST:STUDY_SUMMARY is essential and remains challenging in clinical practice. Herein, we identified ST:STUDY_SUMMARY a metabolic biomarker panel for differentiation diagnosis of EC using machine ST:STUDY_SUMMARY learning of high-performance serum metabolic fingerprints (SMFs) and validated ST:STUDY_SUMMARY the biological function. We first recorded the high-performance SMFs of 191 EC ST:STUDY_SUMMARY and 204 Non-EC subjects via particle-enhanced laser desorption/ionization mass ST:STUDY_SUMMARY spectrometry (PELDI-MS). Then, we achieved an area-under-the-curve (AUC) of ST:STUDY_SUMMARY 0.957-0.968 for EC diagnosis through machine learning of high-performance SMFs, ST:STUDY_SUMMARY outperforming the clinical biomarker of cancer antigen 125 (CA-125, AUC of ST:STUDY_SUMMARY 0.610-0.684, P < 0.05). Finally, we identified a metabolic biomarker panel of ST:STUDY_SUMMARY glutamine, glucose, and cholesterol linoleate with an AUC of 0.901-0.902 and ST:STUDY_SUMMARY validated the biological function in vitro. Therefore, our work would facilitate ST:STUDY_SUMMARY the development of novel diagnostic biomarkers for EC in clinics. ST:INSTITUTE Shanghai Jiao Tong University ST:DEPARTMENT School of Biomedical Engineering ST:LAST_NAME Liu ST:FIRST_NAME Wanshan ST:ADDRESS 1954 Huashan Road, Shanghai, China ST:EMAIL liuwanshan@sjtu.edu.cn ST:PHONE +86-13262629289 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Female #FACTORS #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS 1 SMFs-1 Group:Non-EC SUBJECT_SAMPLE_FACTORS 2 SMFs-2 Group:Non-EC SUBJECT_SAMPLE_FACTORS 3 SMFs-3 Group:Non-EC SUBJECT_SAMPLE_FACTORS 4 SMFs-4 Group:Non-EC SUBJECT_SAMPLE_FACTORS 5 SMFs-5 Group:Non-EC SUBJECT_SAMPLE_FACTORS 6 SMFs-6 Group:Non-EC SUBJECT_SAMPLE_FACTORS 7 SMFs-7 Group:Non-EC SUBJECT_SAMPLE_FACTORS 8 SMFs-8 Group:Non-EC SUBJECT_SAMPLE_FACTORS 9 SMFs-9 Group:Non-EC SUBJECT_SAMPLE_FACTORS 10 SMFs-10 Group:Non-EC SUBJECT_SAMPLE_FACTORS 11 SMFs-11 Group:Non-EC 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SUBJECT_SAMPLE_FACTORS 329 SMFs-329 Group:EC SUBJECT_SAMPLE_FACTORS 330 SMFs-330 Group:EC SUBJECT_SAMPLE_FACTORS 331 SMFs-331 Group:EC SUBJECT_SAMPLE_FACTORS 332 SMFs-332 Group:EC SUBJECT_SAMPLE_FACTORS 333 SMFs-333 Group:EC SUBJECT_SAMPLE_FACTORS 334 SMFs-334 Group:EC SUBJECT_SAMPLE_FACTORS 335 SMFs-335 Group:EC SUBJECT_SAMPLE_FACTORS 336 SMFs-336 Group:EC SUBJECT_SAMPLE_FACTORS 337 SMFs-337 Group:EC SUBJECT_SAMPLE_FACTORS 338 SMFs-338 Group:EC SUBJECT_SAMPLE_FACTORS 339 SMFs-339 Group:EC SUBJECT_SAMPLE_FACTORS 340 SMFs-340 Group:EC SUBJECT_SAMPLE_FACTORS 341 SMFs-341 Group:EC SUBJECT_SAMPLE_FACTORS 342 SMFs-342 Group:EC SUBJECT_SAMPLE_FACTORS 343 SMFs-343 Group:EC SUBJECT_SAMPLE_FACTORS 344 SMFs-344 Group:EC SUBJECT_SAMPLE_FACTORS 345 SMFs-345 Group:EC SUBJECT_SAMPLE_FACTORS 346 SMFs-346 Group:EC SUBJECT_SAMPLE_FACTORS 347 SMFs-347 Group:EC SUBJECT_SAMPLE_FACTORS 348 SMFs-348 Group:EC SUBJECT_SAMPLE_FACTORS 349 SMFs-349 Group:EC SUBJECT_SAMPLE_FACTORS 350 SMFs-350 Group:EC SUBJECT_SAMPLE_FACTORS 351 SMFs-351 Group:EC SUBJECT_SAMPLE_FACTORS 352 SMFs-352 Group:EC SUBJECT_SAMPLE_FACTORS 353 SMFs-353 Group:EC SUBJECT_SAMPLE_FACTORS 354 SMFs-354 Group:EC SUBJECT_SAMPLE_FACTORS 355 SMFs-355 Group:EC SUBJECT_SAMPLE_FACTORS 356 SMFs-356 Group:EC SUBJECT_SAMPLE_FACTORS 357 SMFs-357 Group:EC SUBJECT_SAMPLE_FACTORS 358 SMFs-358 Group:EC SUBJECT_SAMPLE_FACTORS 359 SMFs-359 Group:EC SUBJECT_SAMPLE_FACTORS 360 SMFs-360 Group:EC SUBJECT_SAMPLE_FACTORS 361 SMFs-361 Group:EC SUBJECT_SAMPLE_FACTORS 362 SMFs-362 Group:EC SUBJECT_SAMPLE_FACTORS 363 SMFs-363 Group:EC SUBJECT_SAMPLE_FACTORS 364 SMFs-364 Group:EC SUBJECT_SAMPLE_FACTORS 365 SMFs-365 Group:EC SUBJECT_SAMPLE_FACTORS 366 SMFs-366 Group:EC SUBJECT_SAMPLE_FACTORS 367 SMFs-367 Group:EC SUBJECT_SAMPLE_FACTORS 368 SMFs-368 Group:EC SUBJECT_SAMPLE_FACTORS 369 SMFs-369 Group:EC SUBJECT_SAMPLE_FACTORS 370 SMFs-370 Group:EC SUBJECT_SAMPLE_FACTORS 371 SMFs-371 Group:EC SUBJECT_SAMPLE_FACTORS 372 SMFs-372 Group:EC SUBJECT_SAMPLE_FACTORS 373 SMFs-373 Group:EC SUBJECT_SAMPLE_FACTORS 374 SMFs-374 Group:EC SUBJECT_SAMPLE_FACTORS 375 SMFs-375 Group:EC SUBJECT_SAMPLE_FACTORS 376 SMFs-376 Group:EC SUBJECT_SAMPLE_FACTORS 377 SMFs-377 Group:EC SUBJECT_SAMPLE_FACTORS 378 SMFs-378 Group:EC SUBJECT_SAMPLE_FACTORS 379 SMFs-379 Group:EC SUBJECT_SAMPLE_FACTORS 380 SMFs-380 Group:EC SUBJECT_SAMPLE_FACTORS 381 SMFs-381 Group:EC SUBJECT_SAMPLE_FACTORS 382 SMFs-382 Group:EC SUBJECT_SAMPLE_FACTORS 383 SMFs-383 Group:EC SUBJECT_SAMPLE_FACTORS 384 SMFs-384 Group:EC SUBJECT_SAMPLE_FACTORS 385 SMFs-385 Group:EC SUBJECT_SAMPLE_FACTORS 386 SMFs-386 Group:EC SUBJECT_SAMPLE_FACTORS 387 SMFs-387 Group:EC SUBJECT_SAMPLE_FACTORS 388 SMFs-388 Group:EC SUBJECT_SAMPLE_FACTORS 389 SMFs-389 Group:EC SUBJECT_SAMPLE_FACTORS 390 SMFs-390 Group:EC SUBJECT_SAMPLE_FACTORS 391 SMFs-391 Group:EC SUBJECT_SAMPLE_FACTORS 392 SMFs-392 Group:EC SUBJECT_SAMPLE_FACTORS 393 SMFs-393 Group:EC SUBJECT_SAMPLE_FACTORS 394 SMFs-394 Group:EC SUBJECT_SAMPLE_FACTORS 395 SMFs-395 Group:EC #COLLECTION CO:COLLECTION_SUMMARY Blood was collected through venipuncture and then centrifuged at 2000 g for 10 CO:COLLECTION_SUMMARY minutes. The serum was transferred to a microtube immediately and stored at CO:COLLECTION_SUMMARY -80°C. The samples of the EC and Non-EC groups were collected during a similar CO:COLLECTION_SUMMARY period from Dec. 2018 to Sep. 2021, and the serum metabolic fingerprints (SMFs) CO:COLLECTION_SUMMARY database was recorded in Jul. 2022 using the serum samples that underwent one CO:COLLECTION_SUMMARY freeze-thaw cycle. The pathologists were blinded to any information about SMFs CO:COLLECTION_SUMMARY analysis. CO:SAMPLE_TYPE Blood (serum) CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY NA #SAMPLEPREP SP:SAMPLEPREP_SUMMARY 1.5 μL of serum samples (10-fold dilution) were spotted on a 384 polished steel SP:SAMPLEPREP_SUMMARY plate and dried. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE None (Direct infusion) CH:INSTRUMENT_NAME NA CH:COLUMN_NAME NA CH:SOLVENT_A NA CH:SOLVENT_B NA CH:FLOW_GRADIENT NA CH:FLOW_RATE NA CH:COLUMN_TEMPERATURE NA #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Bruker Autoflex speed TOF/TOF MS:INSTRUMENT_TYPE TOF MS:MS_TYPE MALDI MS:ION_MODE POSITIVE MS:MS_COMMENTS 10 mg of organic matrices were dissolved in 1 mL of TA30 solution MS:MS_COMMENTS (acetonitrile:0.1% TFA solution, 3:7, v/v), and the particle powder was MS:MS_COMMENTS dispersed in DIW with 1.0 mg/mL. 1.5 μL of either standard metabolite solutions MS:MS_COMMENTS or serum samples (10-fold dilution) were spotted on a 384 polished steel plate MS:MS_COMMENTS and dried. The serum samples were prepared randomly to minimize subjective bias MS:MS_COMMENTS for the SMFs database construction. Subsequently, matrix solution was added and MS:MS_COMMENTS dried before detection. Mass-to-charge ratio (m/z) calibration was performed MS:MS_COMMENTS using alanine, proline, glutamic acid, glucose, lactose, maltotriose, and MS:MS_COMMENTS thyroxine. The pulse frequency and laser shots per analysis were set to 1000 Hz MS:MS_COMMENTS and 2000, respectively. MS:MS_RESULTS_FILE ST003048_AN004999_Results.txt UNITS:Peak intensity Has m/z:Yes Has RT:No RT units:No RT data #END