Summary of Study ST002113

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench, https://www.metabolomicsworkbench.org, where it has been assigned Project ID PR001339. The data can be accessed directly via it's Project DOI: 10.21228/M8N405 This work is supported by NIH grant, U2C- DK119886.

See: https://www.metabolomicsworkbench.org/about/howtocite.php

This study contains a large results data set and is not available in the mwTab file. It is only available for download via FTP as data file(s) here.

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Study IDST002113
Study TitleMetabolomic analyses redefine the biological classification of pancreatic cancer: From clinical stage to metabolic subtype
Study SummaryPancreatic ductal adenocarcinoma (PDAC) is characterized by high heterogeneity, and the postoperative prognosis of different patients often varies greatly. Therefore, the classification of pancreatic cancer patients and precise treatment becomes particularly important. In this study, 1H NMR spectroscopy was used to analyze the 76 PDAC serum samples and identify the potential metabolic subtypes. The metabolic characteristics of each metabolic subtype were screened out and the relationship between metabolic subtype and the long-term prognosis was further identified. The clinical stages of PDAC did not show the metabolic differences at the serum metabolomic level. And three metabolic subtypes, basic, choline-like and amino acid-enriched types, were defined by the HCA of the serum metabolites and the disturbed metabolic pathways. The characteristic metabolites of each PDAC subtype were identified, and the metabolite model was established to distinguish the PDAC patients in the different subtypes. Among the three metabolic subtypes, choline-like type displayed better long-term prognosis compared with the other two types of patients. Metabolic subtypes are of clinical importance and can fully express the heterogeneity in the actual life activities of pancreatic cancer. The excavation of metabolic subtypes based on this will be more accurate and in line with clinical reality, so as to guide clinical precision individualization treatment.
Institute
Xiamen University
Last NameGuo
First NamePengfei
AddressZengcuoan street
Email451965557@qq.com
Phone18965187376
Submit Date2022-03-04
Raw Data AvailableYes
Raw Data File Type(s)fid
Analysis Type DetailNMR
Release Date2022-03-22
Release Version1
Pengfei Guo Pengfei Guo
https://dx.doi.org/10.21228/M8N405
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Project:

Project ID:PR001339
Project DOI:doi: 10.21228/M8N405
Project Title:Metabolomic analyses redefine the biological classification of pancreatic cancer
Project Type:NMR analysis
Project Summary:In this study, 1H NMR spectroscopy was used to analyze the serum samples and identify the potential metabolic subtypes. The metabolic characteristics of each metabolic subtype were screened out.
Institute:Xiamen University
Department:Department of Electronic Science
Laboratory:Fujian Provincial Key Laboratory of Plasma and Magnetic Resonance
Last Name:Guo
First Name:Pengfei
Address:Zengcuoan street, Xiamen, Fujian, 441000, China
Email:451965557@qq.com
Phone:18965187376

Subject:

Subject ID:SU002198
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606
Age Or Age Range:35-85

Factors:

Subject type: Human; Subject species: Homo sapiens (Factor headings shown in green)

mb_sample_id local_sample_id AJCC_stage
SA202846Con.15-
SA202847Con.14-
SA202848Con.12-
SA202849Con.17-
SA202850Con.13-
SA202851Con.18-
SA202852Con.22-
SA202853Con.21-
SA202854Con.20-
SA202855Con.11-
SA202856Con.16-
SA202857Con.10-
SA202858Con.4-
SA202859Con.3-
SA202860Con.2-
SA202861Con.1-
SA202862Con.5-
SA202863Con.6-
SA202864Con.8-
SA202865Con.9-
SA202866Con.7-
SA202867Con.23-
SA202868Con.19-
SA202869Con.27-
SA202870Con.26-
SA202871Con.25-
SA202872Con.24-
SA202873Con.28-
SA202874Con.30-
SA202875Con.29-
SA202876PDAC.97.fidIA
SA202877PDAC.49.fidIA
SA202878PDAC.56.fidIA
SA202879PDAC.81.fidIB
SA202880PDAC.126.fidIB
SA202881PDAC.134.fidIB
SA202882PDAC.15.fidIB
SA202883PDAC.34.fidIB
SA202884PDAC.117.fidIB
SA202885PDAC.78.fidIB
SA202886PDAC.68.fidIB
SA202887PDAC.113.fidIB
SA202888PDAC.58.fidIB
SA202889PDAC.112.fidIB
SA202890PDAC.98.fidIB
SA202891PDAC.121.fidIIA
SA202892PDAC.7.fidIIA
SA202893PDAC.21.fidIIA
SA202894PDAC.64.fidIIB
SA202895PDAC.54.fidIIB
SA202896PDAC.11.fidIIB
SA202897PDAC.32.fidIIB
SA202898PDAC.110.fidIIB
SA202899PDAC.69.fidIIB
SA202900PDAC.52.fidIIB
SA202901PDAC.96.fidIIB
SA202902PDAC.51.fidIIB
SA202903PDAC.70.fidIIB
SA202904PDAC.91.fidIIB
SA202905PDAC.103.fidIIB
SA202906PDAC.63.fidIII
SA202907PDAC.48.fidIII
SA202908PDAC.104.fidIII
SA202909PDAC.45.fidIII
SA202910PDAC.66.fidIII
SA202911PDAC.132.fidIII
SA202912PDAC.106.fidIII
SA202913PDAC.127.fidIII
SA202914PDAC.114.fidIII
SA202915PDAC.57.fidIII
SA202916PDAC.50.fidIII
SA202917PDAC.25.fidIII
SA202918PDAC.9.fidIII
SA202919PDAC.28.fidIII
SA202920PDAC.33.fidIII
SA202921PDAC.46.fidIII
SA202922PDAC.40.fidIII
SA202923PDAC.128.fidIII
SA202924PDAC.6.fidIII
SA202925PDAC.8.fidIII
SA202926PDAC.120.fidIII
SA202927PDAC.44.fidIII
SA202928PDAC.55.fidIII
SA202929PDAC.86.fidIII
SA202930PDAC.95.fidIII
SA202931PDAC.10.fidIII
SA202932PDAC.12.fidIII
SA202933PDAC.30.fidIII
SA202934PDAC.109.fidIII
SA202935PDAC.111.fidIII
SA202936PDAC.135.fidIV
SA202937PDAC.16.fidIV
SA202938PDAC.27.fidIV
SA202939PDAC.87.fidIV
SA202940PDAC.14.fidIV
SA202941PDAC.133.fidIV
SA202942PDAC.130.fidIV
SA202943PDAC.122.fidIV
SA202944PDAC.80.fidIV
SA202945PDAC.13.fidIV
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Collection:

Collection ID:CO002191
Collection Summary:Before the first-diagnosed patient is admitted to the hospital for treatment and before the blood is drawn from the healthy controls, all the subjects were fasted overnight. The blood samples were taken through a clinical standard procedure, and 3-5 mL of venous blood was collected in the early morning and placed at 4 ºC for 2 hours. The serum was separated through a centrifugation at 3000 g for 10 minutes, and 500 μL of the supernatant was transferred into a 1.5-mL EP tube. The serum samples were snap-frozen with liquid nitrogen to stop the metabolic activity and then kept at -80 ºC.
Collection Protocol Filename:NMR_serum collection.docx
Sample Type:Blood (serum)
Storage Conditions:-80℃

Treatment:

Treatment ID:TR002210
Treatment Summary:None

Sample Preparation:

Sampleprep ID:SP002204
Sampleprep Summary:A serum sample was prepared by mixing of 400 μL of serum with 200 μL of deuterated phosphate buffer solution (90 mM, pH=7.4) containing 0.9% NaCl (normal saline). The sample was mixed well by an oscillator and remained for 5 min. After a centrifugation for 10 min at 10,000 g and 4 ºC, 550 μL of the supernatant was transferred into a 5-mm NMR tube (ST500, NORELL, Inc., Morganton, North Carolina, USA) for NMR sampling.
Sampleprep Protocol Filename:NMR_sample_preparation.docx
Processing Storage Conditions:4℃
Extract Storage:4℃

Analysis:

Analysis ID:AN003460
Analysis Type:NMR
Num Factors:7
Num Metabolites:62
Units:area under peak

NMR:

NMR ID:NM000234
Analysis ID:AN003460
Instrument Name:850 MHz Bruker Avance III
Instrument Type:FT-NMR
NMR Experiment Type:1D-1H
Spectrometer Frequency:850 MHz
NMR Probe:5 mm CPTCI 1H-13C/15N/D Z-GRD Z117769/0013
NMR Solvent:H2O+D2O
NMR Tube Size:5-mm
Pulse Sequence:CPMGPR1D
Pulse Width:10.95
Receiver Gain:128
Temperature:25
Number Of Scans:128
Acquisition Time:1.9268 s
Relaxation Delay:4.0 s
Spectral Width:17006.8 Hz
Num Data Points Acquired:32 K data points
Chemical Shift Ref Std:lactate 1.33
Binned Increment:0.002
Binned Data Excluded Range:δ5.88–5.65 and δ5.12–4.68
NMR Results File:Binned_data_ppm.csv
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