Summary of Study ST003062

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 PR001908. The data can be accessed directly via it's Project DOI: 10.21228/M83720 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 IDST003062
Study TitleIdentification of Plasma Metabolites and Peptides as Diagnostic Biomarkers for Psoriasis Vulgaris through HILIC-HRMS-Based Metabolomics
Study SummaryIn this work, we explored plasma metabolite and peptide biomarkers for PS through a three-step study using HILIC-LCHRMS based metabolomics. This involved a small-scale case-control study for discovery purposes, subsequent validation of significantly changed metabolic features using another larger group, and further refinement of the differential features using urticaria patient samples for psoriasis specificity.Finally,We identified 9 potential biomarkers specific to psoriasis, with 5 being structurally characterized. Receiver operating characteristic curve analysis revealed all these 9 biomarkers with AUC values above 0.80.
Institute
Guangzhou University of Chinese Medicine
DepartmentThe Second Affiliated Hospital
Last NameZHANG
First Namepp
AddressYuexiu,Guangzhou, China
Emailyb47620@um.edu.mo
Phone8681887233
Submit Date2024-01-26
Raw Data AvailableYes
Raw Data File Type(s)mzXML
Analysis Type DetailLC-MS
Release Date2024-08-05
Release Version1
pp ZHANG pp ZHANG
https://dx.doi.org/10.21228/M83720
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

Select appropriate tab below to view additional metadata details:

Project:

Project ID:PR001908
Project DOI:doi: 10.21228/M83720
Project Title:Identification of Plasma Diagnostic Biomarkers for Psoriasis Vulgaris through HILIC-HRMS Profling
Project Summary:Psoriasis is an immune-mediated and chronic inflammatory skin disease Previous research on exploring psoriasis biomarkers using metabolomics lacks a validation step. Moreover, short peptide information in these studies was not investigated. Here, we conducted a comprehensive HILIC-HRMS-based plasma metabolomics study on different population sets, including healthy controls, psoriasis, and urticaria patients. With the aim of identifying potential biomarkers specific to psoriasis, the study design included a discovery step, a validation step, and a further refinement step using urticaria samples. We identified 9 potential biomarkers specific to psoriasis, with 5 being structurally characterized. Two dipeptide biomarkers, γ-GluSer and ThrGly, along with a lysine glycation metabolite, Fruc-Lys, were found to be associated with psoriasis for the first time. Receiver operating characteristic curve analysis revealed all these 9 biomarkers with AUC values above 0.80. A biomarker panel comprising ThrGly and Fruc-Lys demonstrated high diagnostic accuracy (AUC=0.95) in distinguishing psoriasis patients from healthy controls.
Institute:Guangzhou University of Chinese Medicine
Department:The Second Affiliated Hospital
Last Name:ZHANG
First Name:pp
Address:Taipa, Avenida da Universidade, Taipa, Macau, China, 853, Macau, 853, Macau
Email:yb47620@um.edu.mo
Phone:85388222534

Subject:

Subject ID:SU003177
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606
Gender:Male and female

Factors:

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

mb_sample_id local_sample_id Disease
SA331872JK1Healthy control
SA331873DHC1Healthy control
SA331874JK20Healthy control
SA331875DHC5Healthy control
SA331876JK19Healthy control
SA331877DHC2Healthy control
SA331878DHC3Healthy control
SA331879DHC7Healthy control
SA331880DHC6Healthy control
SA331881DHC8Healthy control
SA331882DHC9Healthy control
SA331883DHC4Healthy control
SA331884DHC10Healthy control
SA331885JK17Healthy control
SA331886JK18Healthy control
SA331887JK5Healthy control
SA331888JK16Healthy control
SA331889JK10Healthy control
SA331890JK9Healthy control
SA331891JK7Healthy control
SA331892JK8Healthy control
SA331893JK4Healthy control
SA331894JK11Healthy control
SA331895JK14Healthy control
SA331896JK15Healthy control
SA331897JK13Healthy control
SA331898JK12Healthy control
SA331899JK3Healthy control
SA331900JK2Healthy control
SA331901JK6Healthy control
SA331902YX19Psoriasis
SA331903YX16Psoriasis
SA331904YX17Psoriasis
SA331905YX18Psoriasis
SA331906YX20Psoriasis
SA331907DPS8Psoriasis
SA331908DPS7Psoriasis
SA331909YX15Psoriasis
SA331910DPS9Psoriasis
SA331911DPS10Psoriasis
SA331912DPS6Psoriasis
SA331913DPS5Psoriasis
SA331914DPS2Psoriasis
SA331915DPS3Psoriasis
SA331916DPS4Psoriasis
SA331917DPS1Psoriasis
SA331918YX11Psoriasis
SA331919YX14Psoriasis
SA331920YX5Psoriasis
SA331921YX3Psoriasis
SA331922YX2Psoriasis
SA331923YX1Psoriasis
SA331924YX6Psoriasis
SA331925YX4Psoriasis
SA331926YX12Psoriasis
SA331927YX7Psoriasis
SA331928YX10Psoriasis
SA331929YX13Psoriasis
SA331930YX9Psoriasis
SA331931YX8Psoriasis
SA331932QC7QC
SA331933QC8QC
SA331934QC6QC
SA331935QC4QC
SA331936QC1QC
SA331937QC5QC
SA331938QC3QC
SA331939QC14QC
SA331940QC2QC
SA331941QC13QC
SA331942QC12QC
SA331943QC10QC
SA331944QC11QC
SA331945QC9QC
SA331946XM1Urticaria
SA331947XM7Urticaria
SA331948XM11Urticaria
SA331949XM10Urticaria
SA331950XM12Urticaria
SA331951XM13Urticaria
SA331952XM14Urticaria
SA331953XM9Urticaria
SA331954XM8Urticaria
SA331955XM3Urticaria
SA331956XM4Urticaria
SA331957XM5Urticaria
SA331958XM6Urticaria
SA331959XM2Urticaria
Showing results 1 to 88 of 88

Collection:

Collection ID:CO003170
Collection Summary:Fasting blood samples were collected in the morning using BD Vacutainer EDTA tubes. Subsequently, all samples were promptly transported to the laboratory under cold chain conditions.
Sample Type:Blood (plasma)
Storage Conditions:4℃

Treatment:

Treatment ID:TR003186
Treatment Summary:NO Treatment

Sample Preparation:

Sampleprep ID:SP003183
Sampleprep Summary:Small molecules were extracted using methanol. the samples underwent centrifugation at 2500 g for 10 minutes and were then stored in a -80 °C refrigerator until further use. Fifty microliters of each sample were mixed with 200 μL of cold methanol by vortexing for 60 seconds. The mixture was then placed at -20 °C for 30 minutes before undergoing centrifugation at 14,000 g for 30 minutes at 4°C. The resulting supernatant was transferred and subjected to lyophilization. For reconstitution before LC-HRMS analysis, 30 microliters of a 50% (V/V) methanol aqueous solution were added to each lyophilized sample.

Combined analysis:

Analysis ID AN005017
Analysis type MS
Chromatography type HILIC
Chromatography system Thermo Dionex Ultimate 3000
Column SeQuant ZIC-HILIC (100 x 2.1mm,3.5um)
MS Type ESI
MS instrument type Orbitrap
MS instrument name Thermo Q Exactive Orbitrap
Ion Mode UNSPECIFIED
Units arbitrary units

Chromatography:

Chromatography ID:CH003790
Instrument Name:Thermo Dionex Ultimate 3000
Column Name:SeQuant ZIC-HILIC (100 x 2.1mm,3.5um)
Column Temperature:40
Flow Gradient:initially 80% B for 4 min, linear 80–20% B in 15 min, kept 20% B for 10 min and column equilibration with 80% B for 5 min; flow rate, 0.2 ml/min
Flow Rate:0.2 ml/min
Solvent A:water/FA (99.9:0.1); 20 mM ammonium acetate
Solvent B:ACN/FA (99.9:0.1)
Chromatography Type:HILIC

MS:

MS ID:MS004756
Analysis ID:AN005017
Instrument Name:Thermo Q Exactive Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:The MS parameters were set as follows: mass resolution, 70,000; maximum injection time, 200ms; autogain control, 3e6; scan range, m/z 60-900.The HESI source was set as follows: spray voltage, ±3.60 kV with polarity switching; sheath gas flow rate at 30 arbitrary units; auxiliary gas flow rate at 10 arbitrary units; capillary temperature, at 320°C; auxiliary gas heater temperature, 350 °C; S-lense level, 55. The acquired raw data from the LC-HRMS analysis were pre-processed using Compound Discover software v3.3 (Thermo Fisher Scientific) for peak picking, alignment, and mass spectral deconvolution
Ion Mode:UNSPECIFIED
Ion Source Temperature:350
Ion Spray Voltage:3.6kv
Ionization:polarity switching was used
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