Summary of Study ST002692

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 PR001667. The data can be accessed directly via it's Project DOI: 10.21228/M87727 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 IDST002692
Study TitlePer- and poly-fluoroalkyl substances (PFAS) Exposures and Child Health (PEACH) Study: Using targeted exposure assessment and untargeted metabolic profiling to characterize molecular pathways and mechanisms underlying PFAS toxicity on adverse birth and child health outcomes
Study TypeProspective Cohort Study
Study SummaryThe overarching goal of the Per- and poly-fluoroalkyl substances Exposures And Child Health (PEACH) Study is to apply an advanced untargeted metabolomics workflow to investigate associations between PFAS levels, perturbations in maternal and newborn metabolome and adverse birth outcomes. The Emory ECHO team has established a socio-economically diverse, exceptionally phenotyped African American (AA) maternal-child cohort that enrolls pregnant women in the early prenatal period and extends dyad follow-up through age five. PEACH draws from repeated metabolic profiling on a subset of 320 AA pregnant people within the Atlanta ECHO cohort, PFAS assessment, and untargeted metabolomics from newborn blood spots (n=279). Please contact Drs. Donghai Liang (Donghai.liang@emory.edu) and Anne Dunlop (amlang@emory.edu) via email for questions related to the subject characteristics and outcomes. This research was supported by the Environmental influences on Child Health Outcomes (ECHO) OIF program, Office of The Director, National Institutes of Health. The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institutes of Health. PEACH is an ECHO cohort which is supported by the following ECHO Program Collaborators: ECHO Coordinating Center: Duke Clinical Research Institute, Durham, North Carolina: Smith PB, Newby KL, Benjamin DK; U2C OD023375 ECHO Data Analysis Center: Johns Hopkins University Bloomberg School of Public Health, Baltimore, Maryland: Jacobson LP; Research Triangle Institute, Durham, North Carolina: Catellier D; U24 OD023382 North Carolina Human Health Exposure Analysis Resource Hub: Research Triangle Institute: Fennell T, University of North Carolina at Chapel Hill: Sumner S, University of North Carolina at Charlotte: Du X; U2C ES030857 Human Health Exposure Analysis Resource Coordinating Center: Westat, Inc., Rockville, Maryland: O’Brien B; U24 ES026539
Institute
Emory University
DepartmentEnvironmental Health
Last NameLiang
First NameDonghai
Address1518 Clifton Rd. NE Atlanta, GA 30322
Emaildonghai.liang@emory.edu
Phone(404) 712-9583
Submit Date2023-04-26
Total Subjects279
Study CommentsHHEAR Project EO19-0009, ECHO Project EC0386
Raw Data AvailableYes
Raw Data File Type(s)raw(Thermo)
Chear StudyYes
Analysis Type DetailLC-MS
Release Date2024-04-26
Release Version1
Donghai Liang Donghai Liang
https://dx.doi.org/10.21228/M87727
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

Select appropriate tab below to view additional metadata details:

Project:

Project ID:PR001667
Project DOI:doi: 10.21228/M87727
Project Title:Per- and poly-fluoroalkyl substances (PFAS) Exposures and Child Health (PEACH) Study: Using targeted exposure assessment and untargeted metabolic profiling to characterize molecular pathways and mechanisms underlying PFAS toxicity on adverse birth and child health outcomes
Project Type:C18 Reversed-Phase Broad Spectrum Metabolomics
Project Summary:The overarching goal of the Per- and poly-fluoroalkyl substances Exposures And Child Health (PEACH) Study is to apply an advanced untargeted metabolomics workflow to investigate associations between PFAS levels, perturbations in maternal and newborn metabolome and adverse birth outcomes. The Emory ECHO team has established a socio-economically diverse, exceptionally phenotyped African American (AA) maternal-child cohort that enrolls pregnant women in the early prenatal period and extends dyad follow-up through age five. PEACH draws from repeated metabolic profiling on a subset of 320 AA pregnant people within the Atlanta ECHO cohort, PFAS assessment, and untargeted metabolomics from newborn blood spots (n=279). Please contact Drs. Donghai Liang (Donghai.liang@emory.edu) and Anne Dunlop (amlang@emory.edu) via email for questions related to the subject characteristics and outcomes.
Institute:NC HHEAR Hub
Department:Untargeted Analysis
Laboratory:Sumner Lab
Last Name:Rushing
First Name:Blake
Address:Nutrition Research Institute, UNC-CH, 500 Laureate Way, Kannapolis, NC 28081
Email:blake_rushing@unc.edu
Phone:(704) 282-9838
Funding Source:This research was supported by the Environmental influences on Child Health Outcomes (ECHO) OIF program, Office of The Director, National Institutes of Health. The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institutes of Health. PEACH is an ECHO cohort which is supported by the following ECHO Program Collaborators: ECHO Coordinating Center: Duke Clinical Research Institute, Durham, North Carolina: Smith PB, Newby KL, Benjamin DK; U2C OD023375; ECHO Data Analysis Center: Johns Hopkins University Bloomberg School of Public Health, Baltimore, Maryland: Jacobson LP; Research Triangle Institute, Durham, North Carolina: Catellier D; U24 OD023382; North Carolina Human Health Exposure Analysis Resource Hub: Research Triangle Institute: Fennell T, University of North Carolina at Chapel Hill: Sumner S, University of North Carolina at Charlotte: Du X; U2C ES030857; Human Health Exposure Analysis Resource Coordinating Center: Westat, Inc., Rockville, Maryland: O’Brien B; U24 ES026539

Subject:

Subject ID:SU002794
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606

Factors:

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

mb_sample_id local_sample_id Sample Type Batch
SA266408BP_8Blank 1
SA266409BP_2Blank 1
SA266410BP_1Blank 1
SA266411BP_7Blank 1
SA266412BP_3Blank 1
SA266413BP_5Blank 1
SA266414BP_4Blank 1
SA266415BP_6Blank 1
SA266416BP_16Blank 2
SA266417BP_9Blank 2
SA266418BP_10Blank 2
SA266419BP_12Blank 2
SA266420BP_11Blank 2
SA266421BP_15Blank 2
SA266422BP_13Blank 2
SA266423BP_14Blank 2
SA266424BP_28Blank 3
SA266425BP_22Blank 3
SA266426BP_19Blank 3
SA266427BP_23Blank 3
SA266428BP_20Blank 3
SA266429BP_21Blank 3
SA266430BP_26Blank 3
SA266431BP_24Blank 3
SA266432BP_18Blank 3
SA266433BP_27Blank 3
SA266434BP_17Blank 3
SA266435BP_25Blank 3
SA266436NIST_7NIST Plasma SRM 1950 1
SA266437NIST_3NIST Plasma SRM 1950 1
SA266438NIST_5NIST Plasma SRM 1950 1
SA266439NIST_4NIST Plasma SRM 1950 1
SA266440NIST_2NIST Plasma SRM 1950 1
SA266441NIST_1NIST Plasma SRM 1950 1
SA266442NIST_6NIST Plasma SRM 1950 1
SA266443NIST_8NIST Plasma SRM 1950 1
SA266444NIST_14NIST Plasma SRM 1950 2
SA266445NIST_10NIST Plasma SRM 1950 2
SA266446NIST_11NIST Plasma SRM 1950 2
SA266447NIST_16NIST Plasma SRM 1950 2
SA266448NIST_13NIST Plasma SRM 1950 2
SA266449NIST_9NIST Plasma SRM 1950 2
SA266450NIST_12NIST Plasma SRM 1950 2
SA266451NIST_15NIST Plasma SRM 1950 2
SA266452NIST_25NIST Plasma SRM 1950 3
SA266453NIST_24NIST Plasma SRM 1950 3
SA266454NIST_26NIST Plasma SRM 1950 3
SA266455NIST_23NIST Plasma SRM 1950 3
SA266456NIST_20NIST Plasma SRM 1950 3
SA266457NIST_18NIST Plasma SRM 1950 3
SA266458NIST_17NIST Plasma SRM 1950 3
SA266459NIST_19NIST Plasma SRM 1950 3
SA266460NIST_28NIST Plasma SRM 1950 3
SA266461NIST_21NIST Plasma SRM 1950 3
SA266462NIST_27NIST Plasma SRM 1950 3
SA266463NIST_22NIST Plasma SRM 1950 3
SA266464SP_1Study pool 1
SA266465SP_5Study pool 1
SA266466SP_7Study pool 1
SA266467SP_8Study pool 1
SA266468SP_2Study pool 1
SA266469SP_6Study pool 1
SA266470SP_4Study pool 1
SA266471SP_3Study pool 1
SA266472SP_10Study pool 2
SA266473SP_9Study pool 2
SA266474SP_11Study pool 2
SA266475SP_16Study pool 2
SA266476SP_12Study pool 2
SA266477SP_15Study pool 2
SA266478SP_14Study pool 2
SA266479SP_13Study pool 2
SA266480SP_18Study pool 3
SA266481SP_17Study pool 3
SA266482SP_19Study pool 3
SA266483SP_28Study pool 3
SA266484SP_20Study pool 3
SA266485SP_24Study pool 3
SA266486SP_25Study pool 3
SA266487SP_23Study pool 3
SA266488SP_26Study pool 3
SA266489SP_27Study pool 3
SA266490SP_21Study pool 3
SA266491SP_22Study pool 3
SA266492S_77Study sample 1
SA266493S_76Study sample 1
SA266494S_75Study sample 1
SA266495S_1Study sample 1
SA266496S_80Study sample 1
SA266497S_74Study sample 1
SA266498S_79Study sample 1
SA266499S_78Study sample 1
SA266500S_71Study sample 1
SA266501S_24Study sample 1
SA266502S_25Study sample 1
SA266503S_26Study sample 1
SA266504S_23Study sample 1
SA266505S_22Study sample 1
SA266506S_20Study sample 1
SA266507S_21Study sample 1
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Collection:

Collection ID:CO002787
Collection Summary:N/A
Sample Type:Blood (whole)
Collection Method:Dried Blood Spot
Storage Conditions:-80℃

Treatment:

Treatment ID:TR002803
Treatment Summary:NA

Sample Preparation:

Sampleprep ID:SP002800
Sampleprep Summary:279 newborn dried blood spot and blank samples and were randomized and extracted by 1000 µL methanol with 500 ng/mLtryptophan-d5 as internal standard via a multiple tube vortex mixer for 10 minutes at 5000 rpm. The blank and study samples were sonicated in an ice bath for 20 minutes. A volume of 700 µL of the supernatants was transferred into a pre-labeled 2.0 mL Low-bind Eppendorf tube labeled as the stock. Protein precipitate was pelleted using a centrifuge operating at 4° C for 5 minutes at 16,000 rcf. A volume of 70 µL of each blank sample stock was transferred to 15 mL conical tube to be combined to create a Blank Pool (BP). A volume of 70 µL of each study sample stock was transferred to 15 mL conical tube to be combined and create a Study Pool (SP). A total volume of 1400 µL of NIST Reference Plasma (NIST) was aliquoted into twenty-eight 50 µL aliquots. A volume of 600 µL supernatant (including experimental samples, BP, and SP) was transferred into a pre-labeled 2.0 mL Low-bind Eppendorf tube. All samples and pools were then dried by a SpeedVac overnight. For immediate analysis, 100 µL of water-methanol solution (95:5, v/v) was added to reconstitute the dried extracts, and the samples were thoroughly mixed on multiple tube vortex mixer for 10 min at 5000 rpm. Samples were centrifuged at 4°C for 4 min at 16,000 rcf. The supernatant was transferred to pre-labeled autosampler vials for data acquisition by LC-MS. Broad-spectrum metabolomics was conducted using a Thermo Scientific™ Vanquish™ UPHPLC - Q Exactive™ HF-X Orbitrap System. Metabolites were separated on an Acquity UPLC HSS T3 C18 (2.1 X 100 mm, 1.8 µm) operating at 50 C using a reversed phase gradient separation with Water with 0.1% Formic Acid (v/v) as mobile phase A and Methanol with 0.1% Formic Acid (v/v) as mobile phase B. A 5 µL was injected into the instrument, and MS was collected between 50-750 m/z in positive mode with the MS/MS data triggered by the Data-Dependent Acquisition.
Processing Storage Conditions:4℃
Extraction Method:Vortex with methanol containing 500ng/ml tryptophan-d5 as internal standard
Extract Storage:-80℃
Sample Resuspension:Water-Methanol (95:5, v/v)
Sample Spiking:Tryptophan-d5 stock solution at 500 ng/mL

Combined analysis:

Analysis ID AN004365
Analysis type MS
Chromatography type Reversed phase
Chromatography system Thermo Vanquish
Column Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um)
MS Type ESI
MS instrument type Orbitrap
MS instrument name Thermo Q Exactive HF-X Orbitrap
Ion Mode POSITIVE
Units Normalized intensity

Chromatography:

Chromatography ID:CH003271
Chromatography Summary:Reverse phase
Instrument Name:Thermo Vanquish
Column Name:Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um)
Column Pressure:6000-10000 psi
Column Temperature:50℃
Flow Gradient:Time(min) Flow Rate %A %B Curve 1. 0 0.4 99.0 1.0 5 2. 1.00 0.4 99.0 1.0 5 3. 16.00 0.4 1.0 99.0 5 4. 19.00 0.4 1.0 99.0 5 5. 19.50 0.4 99.0 1.0 5 6. 22.00 0.4 99.0 1.0 5
Flow Rate:0.4 mL/min
Injection Temperature:8℃
Internal Standard:Tryptophan-d5
Solvent A:100% water; 0.1% formic acid
Solvent B:100% methanol; 0.1% formic acid
Analytical Time:22 min
Weak Wash Solvent Name:10% methanol/90% water; 0.1% formic acid
Strong Wash Solvent Name:75% 2-Propanol/25% Water; 0.1% formic acid
Chromatography Type:Reversed phase

MS:

MS ID:MS004112
Analysis ID:AN004365
Instrument Name:Thermo Q Exactive HF-X Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:Instrument: Thermo Q Exactive HFx Software: Xcalibur 4.1.31.9 for data acquisition; Progenesis QI 2.4 for data preprocessing
Ion Mode:POSITIVE
Capillary Temperature:320 °C
Capillary Voltage:3.5 KV
Collision Energy:20-45, ramp
Collision Gas:N2
Dry Gas Flow:55
Dry Gas Temp:400°C
Fragmentation Method:CID
Ion Spray Voltage:3.5kV
Ionization:ES+
Mass Accuracy:5 ppm
Dataformat:Profile
Desolvation Gas Flow:55
Desolvation Temperature:400 ℃
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