Summary of Study ST003139

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 PR001951. The data can be accessed directly via it's Project DOI: 10.21228/M8J43C 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 IDST003139
Study TitleEndothelial-Dependent Vascular Reactivity After Cardiopulmonary Bypass is Associated with Unique Metabolomic Signatures
Study Typeuntargeted metabolomics analysis
Study SummaryCardiopulmonary bypass (CPB), an extracorporeal method necessary for the surgical correction of complex congenital heart defects, incites significant inflammatory and vascular changes. Along with these changes are alterations in cellular metabolism that promote energy production to deal with this stress. Utilizing laser-doppler perfusion monitoring coupled with iontophoresis (LDPMI) in patients undergoing corrective heart surgery, we hypothesized that temporal, untargeted metabolomics could be performed to assess the link between metabolism and vascular function. Globally, we found 2404 unique metabolites in the plasma of patients undergoing CPB. Metabolites related to arginine biosynthesis were the most altered in the CPB period. When examining metabolic profiles in correlation with endothelial-dependent (acetylcholine, ACh) or endothelial-independent (sodium nitroprusside, SNP) vascular reactivity, purine metabolism was most consistently associated with either vascular response. With ACh-mediated responses, L-acetylcarnitine levels were most strongly associated, while L-glutamine levels were associated with both ACh and SNP responsiveness. These data give insight into the metabolic landscape of children undergoing CPB for corrective heart surgery and provide detail into how these metabolites relate to physiological aberrations in the vasculature.
Institute
Vanderbilt University
DepartmentChemistry
LaboratoryCenter for Innovative Technology
Last NameCODREANU
First NameSIMONA
Address1234 STEVENSON CENTER LANE
EmailSIMONA.CODREANU@VANDERBILT.EDU
Phone6158758422
Submit Date2024-03-21
Raw Data AvailableYes
Raw Data File Type(s)raw(Thermo)
Analysis Type DetailLC-MS
Release Date2024-09-23
Release Version1
SIMONA CODREANU SIMONA CODREANU
https://dx.doi.org/10.21228/M8J43C
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

Select appropriate tab below to view additional metadata details:

Project:

Project ID:PR001951
Project DOI:doi: 10.21228/M8J43C
Project Title:Endothelial-Dependent Vascular Reactivity After Cardiopulmonary Bypass is Associated with Unique Metabolomic Signatures
Project Type:Untargeted Metabolomics analysis
Project Summary:Cardiopulmonary bypass (CPB), an extracorporeal method necessary for the surgical correction of complex congenital heart defects, incites significant inflammatory and vascular changes. Along with these changes are alterations in cellular metabolism that promote energy production to deal with this stress. Utilizing laser-doppler perfusion monitoring coupled with iontophoresis (LDPMI) in patients undergoing corrective heart surgery, we hypothesized that temporal, untargeted metabolomics could be performed to assess the link between metabolism and vascular function. The data give insight into the metabolic landscape of children undergoing CPB for corrective heart surgery and provide detail into how these metabolites relate to physiological aberrations in the vasculature.
Institute:Vanderbilt University
Department:Chemistry
Laboratory:Center for Innovative Technology
Last Name:CODREANU
First Name:SIMONA
Address:1234 STEVENSON CENTER LANE
Email:SIMONA.CODREANU@VANDERBILT.EDU
Phone:6158758422

Subject:

Subject ID:SU003256
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606
Genotype Strain:Congenital heart defects (CHD) undergoing cardiopulmonary bypass (CPB)
Age Or Age Range:less than 1 year of age

Factors:

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

mb_sample_id local_sample_id Sample source time of collection
SA340489P21Plasma 12-post1
SA340490P32Plasma 12-post2
SA340491P8Plasma 12-pre
SA340492P22Plasma 14-post1
SA340493P33Plasma 14-post2
SA340494P9Plasma 14-pre
SA340495P23Plasma 15-post1
SA340496P34Plasma 15-post2
SA340497P10Plasma 15-pre
SA340498P11Plasma 16-pre
SA340486P14Plasma 1-post1
SA340487P26Plasma 1-post2
SA340488P1Plasma 1-pre
SA340502P24Plasma 20-post1
SA340503P12Plasma 20-pre
SA340504P25Plasma 21-post1
SA340505P35Plasma 21-post2
SA340506P13Plasma 21-pre
SA340507P36Plasma 22-post2
SA340499P15Plasma 2-post1
SA340500P27Plasma 2-post2
SA340501P2Plasma 2-pre
SA340508P16Plasma 3-post1
SA340509P28Plasma 3-post2
SA340510P3Plasma 3-pre
SA340511P17Plasma 4-post1
SA340512P4Plasma 4-pre
SA340513P18Plasma 6-post1
SA340514P29Plasma 6-post2
SA340515P5Plasma 6-pre
SA340516P19Plasma 7-post1
SA340517P30Plasma 7-post2
SA340518P6Plasma 7-pre
SA340519P20Plasma 9-post1
SA340520P31Plasma 9-post2
SA340521P7Plasma 9-pre
Showing results 1 to 36 of 36

Collection:

Collection ID:CO003249
Collection Summary:Patients underwent laser Doppler perfusion monitoring with iontophoresis (LDPMI) as well as blood collection at the following time points: preoperatively (within 7 days of surgical date), 2 to 4 hours after CPB, and 24 hours after CPB. LDPMI measurements were performed using a Periflux 5010 coupled to a Perilont 382b (Perimed, Stockholm, Sweden) as previously described 6. Briefly, 180 μL of 2% acetylcholine (ACh, Sigma-Aldrich, St. Louis, MO) was pulsed with a 0.1 mA anodal current for 20 seconds for a total of five doses separated by 120 seconds over 10 minutes. After a 10-minute rest and at a separate site, 180 μL of 1% sodium nitroprusside (SNP, Sigma) was pulsed with a 0.2 mA cathodal current using identical dosing intervals and duration. Blood was collected at the end of the LDPMI measurements into EDTA-containing vacutainers. Blood was then centrifuged at 2200 RPM for 5 minutes and the plasma was removed and stored at −80°C.
Sample Type:Blood (plasma)
Storage Conditions:-80℃

Treatment:

Treatment ID:TR003265
Treatment Summary:Patients underwent laser Doppler perfusion monitoring with iontophoresis (LDPMI) as well as blood collection at the following time points: preoperatively (within 7 days of surgical date), 2 to 4 hours after CPB, and 24 hours after CPB.

Sample Preparation:

Sampleprep ID:SP003263
Sampleprep Summary:Briefly, plasma samples collected at three different time points (pre, post1 and post2) were normalized by total volume (20µL/sample). Metabolites were extracted with methanol/water 80:20. Heavy labeled phenylalanine-D8 and biotin-D2 were added to individual samples prior to protein precipitation. Following overnight incubation at -80°C, precipitated proteins were pelleted by centrifugation at 10,000 rpm for 10 min and metabolite extracts were dried down in vacuo. Metabolite extracts were further cleaned up of the high lipid content using Captiva EMR lipid cartridges (Agilent Technologies, Santa Clara, CA) under controlled positive pressure (3-4psi). Briefly, dry samples of metabolite extracts were reconstituted in 100µL of methanol:water (4:1, v:v) and directly applied to individual pre-equilibrated cartridges. Metabolite elution of the cartridges was completed using 500µL crash solvent of acetonitrile:water (5:1, v:v) with 1% formic acid and dried down in vacuo. Individual clean extracts were reconstituted in 100 µl of acetonitrile/water (80:20, v/v) containing heavy-labeled carnitine-D9, tryptophan-D3, valine-D8, and inosine-4N15, and centrifuged for 5 min at 10,000 rpm to remove insoluble material. A pooled quality control sample (QC) was prepared by pooling equal volumes of individual samples. The pooled QC sample was used for column conditioning (8 injections prior to sample analysis), retention time alignment and to assess mass spectrometry instrument reproducibility throughout the sample set.
Processing Storage Conditions:-80℃
Extract Storage:-80℃

Combined analysis:

Analysis ID AN005152
Analysis type MS
Chromatography type HILIC
Chromatography system Thermo Vanquish
Column Waters ACQUITY UPLC BEH Amide (100 x 2.1mm,1.7um)
MS Type ESI
MS instrument type Orbitrap
MS instrument name Thermo Q Exactive HF hybrid Orbitrap
Ion Mode NEGATIVE
Units peak intensity

Chromatography:

Chromatography ID:CH003900
Chromatography Summary:Hydrophylic compounds separation
Instrument Name:Thermo Vanquish
Column Name:Waters ACQUITY UPLC BEH Amide (100 x 2.1mm,1.7um)
Column Temperature:30
Flow Gradient:30 min; 95%A, 5%B
Flow Rate:0.20mL/min
Solvent A:90% water, 10% acetonitrile, 5mM Ammonium Formate, 0.1%FA
Solvent B:10% water, 90% acetonitrile, 5mM Ammonium Formate, 0.1%FA
Chromatography Type:HILIC

MS:

MS ID:MS004888
Analysis ID:AN005152
Instrument Name:Thermo Q Exactive HF hybrid Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:Full mass scan was acquired at 120,000 resolution with a scan rate of 3.5 Hz, automatic gain control (AGC) target of 1x106, and maximum ion injection time of 100 ms, and MS/MS spectra were collected at 15,000 resolution, AGC target of 2x105 ions, with a maximum ion injection time of 100 ms. Mass spectrometry raw data was imported, processed, normalized and reviewed using Progenesis QI v.3.0 (Non-linear Dynamics, Newcastle, UK). All MS and MS/MS sample runs were aligned against a pooled QC reference run.
Ion Mode:NEGATIVE
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