Summary of Study ST002251

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 PR001439. The data can be accessed directly via it's Project DOI: 10.21228/M8QD9Z 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 IDST002251
Study TitleUntargeted metabolomics on plasma from children with asthma, comparing exacerbation-prone to non-exacerbation-prone
Study TypeUntargeted MS
Study SummaryBackground: Some children with asthma remain poorly controlled and have recurrent exacerbations despite treatment with inhaled corticosteroids. Aside from prior exacerbations, there are currently no reliable predictors of exacerbation-prone asthma in these children and limited understanding of potential underlying mechanisms. Objective: We sought to quantify small molecules in the plasma of children with exacerbation- prone asthma through mass spectrometry-based metabolomics. We hypothesized that the plasma metabolome of these children would differ from that of children with non-exacerbation- prone asthma. Methods: Plasma metabolites were extracted from four pediatric asthma cohorts (n=215 total, n=41 with exacerbation-prone asthma) and detected using a ZIC-HILIC column coupled to a Q Exactive HF mass spectrometer. High-confidence annotations were retained for univariate analysis and were confirmed by a sensitivity analysis in subjects on high-dose inhaled corticosteroids. Metabolites that varied by cohort were excluded. Metaboanalyst was used to identify pathways of interest. Concentrations were calculated by reference standardization to NIST SRM 1950. Results: We identified 32 unique, cohort-independent metabolites that differed in children with exacerbation-prone asthma compared to children with non-exacerbation-prone asthma. Comparison of metabolite concentrations to literature-reported values for healthy children revealed that most metabolites were decreased in both asthma groups, but more so in exacerbation-prone asthma. Pathway analysis identified arginine, lysine, and methionine pathways as most impacted. Conclusions: Several plasma metabolites are perturbed in children with exacerbation-prone asthma and are largely related to arginine, lysine, and methionine pathways. While validation is needed, plasma metabolites may be potential biomarkers for exacerbation-prone asthma in children.
Institute
Emory University
DepartmentPediatrics
LaboratoryJoshua Chandler, PhD
Last NameChandler
First NameJoshua
Address2015 Upper Gate Drive NE, Atlanta, GA 30322
Emailjoshua.chandler@emory.edu
Phone404-727-3536
Submit Date2022-07-25
Num Groups2
Total Subjects215
Num Males135
Num Females80
PublicationsJACI-D-22-00220
Raw Data AvailableYes
Raw Data File Type(s)mzML
Analysis Type DetailLC-MS
Release Date2023-01-02
Release Version1
Joshua Chandler Joshua Chandler
https://dx.doi.org/10.21228/M8QD9Z
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

Select appropriate tab below to view additional metadata details:

Project:

Project ID:PR001439
Project DOI:doi: 10.21228/M8QD9Z
Project Title:Exacerbation-prone pediatric asthma is associated with arginine, lysine, methionine pathway alterations
Project Type:Untargeted MS
Project Summary:Untargeted metabolomics of plasma samples from children with exacerbation-prone asthma compared to children with non-exacerbation-prone asthma
Institute:Emory University
Department:Pediatrics
Laboratory:Joshua Chandler, PhD
Last Name:Chandler
First Name:Joshua
Address:2015 Uppergate Drive NE, Atlanta, GA 30322
Email:joshua.chandler@emory.edu
Phone:404-727-3536
Funding Source:National Institute of Nursing Research; National Center for Advancing Translational Research; National Heart, Lung, and Blood Institute
Publications:JACI-D-22-00220
Contributors:Kirsten A. Cottrill; Susan T. Stephenson; Ahmad F. Mohammad; Susan O. Kim; Nael A. McCarty; Rishikesan Kamaleswaran; Anne M. Fitzpatrick; Joshua D. Chandler

Subject:

Subject ID:SU002337
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606
Age Or Age Range:6-17 years
Weight Or Weight Range:Non-exacerbation-prone IQR: 30-68 kg; Exacerbation-prone IQR: 42-63 kg
Height Or Height Range:Non-exacerbation-prone IQR: 131-165 cm; Exacerbation-prone IQR: 140-163 cm
Gender:Male and female
Human Race:18 white, 189 Black, 7 more than one race, 1 Asian
Human Ethnicity:2 Hispanic, 113 Not Hispanic
Human Medications:92 on high-dose inhaled corticosteroids; 94 on long-acting beta adrenergic receptor agonists; 111 on Montelukast
Human Smoking Status:24 exposed to tobacco smoke
Human Inclusion Criteria:1) current or historical evidence of >=12% reversibility in forced expiratory volume in one second (FEV1) relative to baseline after bronchodilator administration; 2) airway hyperresponsiveness to methacholine, with a provocative concentration of methacholine causing a 20% drop in FEV1
Human Exclusion Criteria:1) premature birth before 35 weeks of gestation; 2) other chronic airway disorders that could mimic asthma.
Species Group:Mammals

Factors:

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

mb_sample_id local_sample_id ThreeorMoreBursts ICShighdose Study AgeatEnrollment AsthmaDurationYears Sex Ethnicity Race Height Weight BMI LABA Montelukast
SA21679120200724_049_QC-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21679220200725_004_QC-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21679320200725_006_QC-ddMS2-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21679420200725_005_QC-ddMS2-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21679520200720_003_QC-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21679620200725_003_QC-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21679720200725_001_Blank-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21679820200725_002_Blank-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21679920200724_050_QC-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21680020200720_006_QC-ddMS2-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21680120200718_004_QC-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21680220200715_001_Blank-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21680320200718_006_QC-ddMS2-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21680420200718_005_QC-ddMS2-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21680520200720_027_QC-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21680620200718_003_QC-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21680720200718_002_Blank-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21680820200720_005_QC-ddMS2-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21680920200720_028_QC-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21681020200718_001_Blank-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21681120200720_002_Blank-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21681220200720_004_QC-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21681320200715_003_QC-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21681420200715_005_qcn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21681520200715_004_srm1950n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21681620200715_006_qcn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21681720200719_001_Blank-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21681820200718_049_QC-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21681920200718_050_QC-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21682020200715_003_srm1950n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21682120200719_006_QC-ddMS2-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21682220200725_044_QC-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21682320200715_002_Blank-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21682420200725_043_QC-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21682520200719_003_QC-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21682620200719_005_QC-ddMS2-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21682720200719_004_QC-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21682820200719_027_QC-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21682920200725_028_QC-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21683020200715_027_QC-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21683120200719_049_QC-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21683220200715_004_QC-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21683320200715_005_QC-ddMS2-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21683420200719_050_QC-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21683520200715_006_QC-ddMS2-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21683620200718_027_QC-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21683720200718_028_QC-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21683820200715_007_qcn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21683920200725_027_QC-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21684020200715_008_qcn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21684120200715_009_qcn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21684220200719_028_QC-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21684320200715_010_qcn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21684420200720_001_Blank-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21684520200721_001_Blank-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21684620200723_027_QC-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21684720200723_028_QC-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21684820200722_001_Blank-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21684920200722_002_Blank-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21685020200722_004_QC-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21685120200722_003_QC-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21685220200721_050_QC-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21685320200721_049_QC-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21685420200716_004_QC-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21685520200716_003_QC-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21685620200717_002_Blank-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21685720200717_001_Blank-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21685820200716_006_QC-ddMS2-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21685920200716_005_QC-ddMS2-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21686020200722_005_QC-ddMS2-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21686120200722_006_QC-ddMS2-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21686220200723_004_QC-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21686320200723_005_QC-ddMS2-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21686420200723_003_QC-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21686520200723_002_Blank-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21686620200722_050_QC-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21686720200723_001_Blank-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21686820200723_006_QC-ddMS2-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21686920200716_027_QC-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21687020200716_049_QC-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21687120200716_050_QC-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21687220200719_002_Blank-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21687320200722_027_QC-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21687420200716_028_QC-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21687520200722_028_QC-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21687620200717_003_QC-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21687720200717_004_QC-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21687820200721_004_QC-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21687920200721_003_QC-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21688020200721_005_QC-ddMS2-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21688120200721_006_QC-ddMS2-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21688220200717_027_QC-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21688320200717_028_QC-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21688420200721_002_Blank-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21688520200722_049_QC-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21688620200724_027_QC-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21688720200724_028_QC-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21688820200717_050_QC-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21688920200717_049_QC-posn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
SA21689020200720_050_QC-negn/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a n/a
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Collection:

Collection ID:CO002330
Collection Summary:Patients were not fasted prior to blood collection, but did withhold controller medication for 24 hours prior to blood collection. Blood was collected via venipuncture into EDTA-coated tubes. Plasma was isolated via centrifugation and stored at -80 *C.
Sample Type:Blood (plasma)
Storage Conditions:-80℃
Collection Vials:EDTA-coated tubes
Storage Vials:Eppendorf tubes
Collection Tube Temp:Room temperature
Additives:EDTA

Treatment:

Treatment ID:TR002349
Treatment Summary:Plasma samples were not treated with anything prior to metabolite extraction.

Sample Preparation:

Sampleprep ID:SP002343
Sampleprep Summary:50 uL of plasma was mixed with 200 uL of a 50:50 mixture of methanol and acetonitirile, vortexed, incubated on ice for 30 min, then centrifuged at 20,000 g for 10 min at 4 *C. 200 uL of the supernatant was collected for analysis.
Extraction Method:50:50 methanol:acetonitrile for a 1:2:2 samples:methanol:acetonitrile final
Extract Cleanup:centrifuged at 20,000 g for 10 min at 4 *C
Extract Storage:-80℃

Combined analysis:

Analysis ID AN003677 AN003678
Analysis type MS MS
Chromatography type HILIC HILIC
Chromatography system Vanquish Horizon Binary ultrahigh performance liquid chromatography system Vanquish Horizon Binary ultrahigh performance liquid chromatography system
Column SeQuant ZIC-HILIC SeQuant ZIC-HILIC
MS Type ESI ESI
MS instrument type Orbitrap Orbitrap
MS instrument name Thermo Q Exactive HF hybrid Orbitrap Thermo Q Exactive HF hybrid Orbitrap
Ion Mode POSITIVE NEGATIVE
Units peak area peak area

Chromatography:

Chromatography ID:CH002727
Chromatography Summary:Equilibration time was 4 min at 90% B, with 3.5 min at 0.35 mL/min, then 0.5 min at 0.25 mL/min. After sample injection, a gradient ran from 90% to 20% B over 17.5 min at 0.25 mL/min, then flow was increased to 0.35 mL/min for 1 min and held at 20% B at 0.35 mL/min for 3.5 min.
Instrument Name:Vanquish Horizon Binary ultrahigh performance liquid chromatography system
Column Name:SeQuant ZIC-HILIC
Column Pressure:15-180 bar
Column Temperature:40
Flow Rate:0.25-0.35 mL/min
Sample Injection:2 uL
Solvent A:100% water; 0.1% formic acid
Solvent B:100% acetonitrile; 0.1% formic acid
Analytical Time:1.85-14.5 min
Chromatography Type:HILIC

MS:

MS ID:MS003428
Analysis ID:AN003677
Instrument Name:Thermo Q Exactive HF hybrid Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:Data were processed using Compound Discoverer 3.2 (Thermo). Minimum peak intensity was 5E5 for positive mode. Retention times were aligned across runs, quality control (QC) pooled sample areas were normalized per metabolite using a cubic spline method, requiring <50% relative standard deviation after correction for compound retention. Missing values were gap-filled based on real peak detection and metabolites with max sample area <5-fold that of the blank were censored.
Ion Mode:POSITIVE
Capillary Temperature:275
Ion Spray Voltage:+3.5 kV
Automatic Gain Control:1E6
  
MS ID:MS003429
Analysis ID:AN003678
Instrument Name:Thermo Q Exactive HF hybrid Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:Data were processed using Compound Discoverer 3.2 (Thermo). Minimum peak intensity was 2E5 for negative mode. Retention times were aligned across runs, quality control (QC) pooled sample areas were normalized per metabolite using a cubic spline method, requiring <50% relative standard deviation after correction for compound retention. Missing values were gap-filled based on real peak detection and metabolites with max sample area <5-fold that of the blank were censored.
Ion Mode:NEGATIVE
Capillary Temperature:275
Ion Spray Voltage:-2.75 kV
Automatic Gain Control:1E6
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