Summary of Study ST003189

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 PR001985. The data can be accessed directly via it's Project DOI: 10.21228/M84Q71 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 IDST003189
Study TitleUntargeted Metabolomic Profile of Septic Shock in the Emergency Department
Study SummarySeptic shock is a life-threatening condition that arises from a dysregulated host response to infection, resulting in the failure of multiple organ systems and the rapid decline of the patient’s health status. As a medical emergency, early recognition and timely interventions are crucial for improving patient outcomes, particularly in the emergency department setting where septic patients are initially treated. Despite the importance of early identification, current diagnostic tools remain challenges in predicting septic shock at the time of admission. To address these limitations, this study aimed to develop a highly sensitive and specific platform for predicting septic shock in the emergency department. By implementing a supervised algorithm to the metabolic profile, a model based on a 22-metabolite panel was developed to accurately predict septic shock. This approach has the potential to optimize the clinical management of septic shock in the emergency department.
Institute
National Taiwan University
DepartmentDepartment of Chemistry
LaboratoryCheng-Chih Hsu's lab
Last NameHong
First NameYu
AddressNo. 1, Sec. 4, Roosevelt Rd., Taipei, Taipei, 106, Taiwan
Emailf07223179@ntu.edu.tw
Phone+886-2-3366-1681
Submit Date2024-05-02
Num Groups2
Total Subjects124
Raw Data AvailableYes
Raw Data File Type(s)mzXML
Analysis Type DetailLC-MS
Release Date2024-05-28
Release Version1
Yu Hong Yu Hong
https://dx.doi.org/10.21228/M84Q71
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

Select appropriate tab below to view additional metadata details:

Project:

Project ID:PR001985
Project DOI:doi: 10.21228/M84Q71
Project Title:Serum metabolites for septic shock detection in emergency department
Project Type:Untargeted metabolomics analysis
Project Summary:Septic shock is a life-threatening condition that arises from a dysregulated host response to infection, resulting in the failure of multiple organ systems and the rapid decline of the patient’s health status. As a medical emergency, early recognition and timely interventions are crucial for improving patient outcomes, particularly in the emergency department setting where septic patients are initially treated. Despite the importance of early identification, current diagnostic tools remain challenges in predicting septic shock at the time of admission. To address these limitations, this study aimed to develop a highly sensitive and specific platform for predicting septic shock in the emergency department using machine learning techniques applied to the metabolic profile. This approach has the potential to optimize the clinical management of septic shock.
Institute:National Taiwan University
Department:Department of Chemistry
Laboratory:Cheng-Chih Hsu's lab
Last Name:Hong
First Name:Yu
Address:No. 1, Sec. 4, Roosevelt Rd., Taipei, Taipei, 106, Taiwan
Email:f07223179@ntu.edu.tw
Phone:+886-2-3366-1681

Subject:

Subject ID:SU003308
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606
Gender:Male and female
Human Race:Asian

Factors:

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

mb_sample_id local_sample_id Subject_ID Sample source
SA347740294Non-septic shock Serum
SA347741295Non-septic shock Serum
SA347742293Non-septic shock Serum
SA347743286Non-septic shock Serum
SA347744281Non-septic shock Serum
SA347745298Non-septic shock Serum
SA347746299Non-septic shock Serum
SA347747316Non-septic shock Serum
SA347748311Non-septic shock Serum
SA347749309Non-septic shock Serum
SA347750308Non-septic shock Serum
SA347751274Non-septic shock Serum
SA347752242Non-septic shock Serum
SA347753222Non-septic shock Serum
SA347754223Non-septic shock Serum
SA347755214Non-septic shock Serum
SA347756212Non-septic shock Serum
SA347757210Non-septic shock Serum
SA3477581Non-septic shock Serum
SA347759226Non-septic shock Serum
SA347760317Non-septic shock Serum
SA347761241Non-septic shock Serum
SA347762238Non-septic shock Serum
SA347763227Non-septic shock Serum
SA347764272Non-septic shock Serum
SA347765336Non-septic shock Serum
SA347766463Non-septic shock Serum
SA347767492Non-septic shock Serum
SA347768430Non-septic shock Serum
SA347769411Non-septic shock Serum
SA347770405Non-septic shock Serum
SA347771495Non-septic shock Serum
SA347772502Non-septic shock Serum
SA347773509Non-septic shock Serum
SA347774508Non-septic shock Serum
SA347775505Non-septic shock Serum
SA347776504Non-septic shock Serum
SA347777400Non-septic shock Serum
SA347778388Non-septic shock Serum
SA347779355Non-septic shock Serum
SA347780356Non-septic shock Serum
SA347781353Non-septic shock Serum
SA347782339Non-septic shock Serum
SA347783206Non-septic shock Serum
SA347784361Non-septic shock Serum
SA347785362Non-septic shock Serum
SA347786384Non-septic shock Serum
SA347787383Non-septic shock Serum
SA347788375Non-septic shock Serum
SA347789368Non-septic shock Serum
SA347790323Non-septic shock Serum
SA347791224Non-septic shock Serum
SA347792100Non-septic shock Serum
SA347793105Non-septic shock Serum
SA34779497Non-septic shock Serum
SA34779576Non-septic shock Serum
SA34779674Non-septic shock Serum
SA347797116Non-septic shock Serum
SA347798123Non-septic shock Serum
SA347799145Non-septic shock Serum
SA347800151Non-septic shock Serum
SA347801133Non-septic shock Serum
SA347802127Non-septic shock Serum
SA347803126Non-septic shock Serum
SA34780467Non-septic shock Serum
SA34780563Non-septic shock Serum
SA34780632Non-septic shock Serum
SA34780736Non-septic shock Serum
SA34780823Non-septic shock Serum
SA34780917Non-septic shock Serum
SA3478102Non-septic shock Serum
SA34781138Non-septic shock Serum
SA34781242Non-septic shock Serum
SA34781361Non-septic shock Serum
SA34781452Non-septic shock Serum
SA34781546Non-septic shock Serum
SA34781643Non-septic shock Serum
SA347817153Non-septic shock Serum
SA347818109Non-septic shock Serum
SA347819177Non-septic shock Serum
SA347820174Non-septic shock Serum
SA347821169Non-septic shock Serum
SA347822180Non-septic shock Serum
SA347823186Non-septic shock Serum
SA347824200Non-septic shock Serum
SA347825192Non-septic shock Serum
SA347826191Non-septic shock Serum
SA347827168Non-septic shock Serum
SA347828184Non-septic shock Serum
SA347829167Non-septic shock Serum
SA347830165Non-septic shock Serum
SA347831161Non-septic shock Serum
SA347832196Septic shock Serum
SA347833503Septic shock Serum
SA347834194Septic shock Serum
SA347835162Septic shock Serum
SA347836220Septic shock Serum
SA347837499Septic shock Serum
SA347838510Septic shock Serum
SA347839514Septic shock Serum
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Collection:

Collection ID:CO003301
Collection Summary:Adult patients who visited the emergency department of Taipei Veterans General Hospital between Nov. 2018 and Feb. 2019 were prospectively enrolled with approval from the Institutional Review Board. Blood samples were obtained during routine clinical testing upon admission before initial treatment. These samples were collected in serum separator tubes, left to clot at room temperature for 1 h, and then centrifuged at 3000 rpm at 4 °C for 20 min. The resulting supernatant sera were promptly stored at -80°C before subsequent analysis.
Sample Type:Blood (serum)

Treatment:

Treatment ID:TR003317
Treatment Summary:The samples detailed in this study did not undergo any treatment.

Sample Preparation:

Sampleprep ID:SP003315
Sampleprep Summary:An aliquot of 5uL serum was extracted by 50 µL of methanol. After vortexing for 10 s, samples were centrifuged for 2 min at 12,000 rpm to precipitate proteins, and the supernatant was collected for mass spectrometry-based metabolomics analysis.

Combined analysis:

Analysis ID AN005237
Analysis type MS
Chromatography type HILIC
Chromatography system Thermo Dionex Ultimate 3000
Column Waters ACQUITY UPLC BEH Amide (150 x 2.1mm,1.7um)
MS Type ESI
MS instrument type Orbitrap
MS instrument name Thermo Q Exactive Orbitrap
Ion Mode POSITIVE
Units peak area

Chromatography:

Chromatography ID:CH003964
Chromatography Summary:Chromatography methods for serum extract
Instrument Name:Thermo Dionex Ultimate 3000
Column Name:Waters ACQUITY UPLC BEH Amide (150 x 2.1mm,1.7um)
Column Temperature:30 °C
Flow Gradient:0-0.5 min, 95% B; 0.5-11 min, 95-50% B; 11-14 min, 50% B; 14-14.5 min, 50-95% B; 14.5-20 min, 95% B
Flow Rate:0.3 mL/min
Sample Injection:5 μL
Solvent A:100% water; 0.1% formic acid; 5 mM ammonium acetate
Solvent B:90% acetonitrile/10% water; 0.1% formic acid; 5 mM ammonium acetate
Chromatography Type:HILIC

MS:

MS ID:MS004970
Analysis ID:AN005237
Instrument Name:Thermo Q Exactive Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:Compound Discoverer 2.1 software (Thermo Fisher Scientific) was used for peak area integration.
Ion Mode:POSITIVE
Capillary Temperature:250 °C
Ion Source Temperature:200 °C
Ion Spray Voltage:3.5 kV
Source Temperature:200 °C
Spray Voltage:3.5 kV
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