Summary of Study ST001692

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 PR001088. The data can be accessed directly via it's Project DOI: 10.21228/M82H6Z 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.

Perform statistical analysis  |  Show all samples  |  Show named metabolites  |  Download named metabolite data  |  Perform analysis on untargeted data  
Download mwTab file (text)   |  Download mwTab file(JSON)   |  Download data files (Contains raw data)
Study IDST001692
Study TitlePerfluoroalkyl substances and lipid composition in human milk
Study TypeCHEAR Study
Study SummaryPFAS are widely used in commercial products, and so humans have consistent exposure to them via oil- and water-resistant consumer products, fire- fighting foam, and industrial surfactants 1,2. The four PFASs commonly detected in blood, perfluorooctanoic acid (PFOA), perfluorooctane sulfonate (PFOS), perfluorononanoic acid (PFNA), and perfluorohexane sulfonate (PFHxS) 3,4, are present in drinking water supplies both in northern New England as well as in 27 states nationally 5-8. Animal models shows that PFASs have can have effects on both the endocrine system and on adiposity 9-12. Epidemiological evidence shows that the presence of PFASs in maternal serum is associated with changes in maternal serum lipid and cholesterol composition 13,14. Similarly, serum levels of PFAS in adolescents have been associated with increases in serum cholesterol 15. These findings raise interesting questions about the association of PFAS and lipids in human milk. Research has shown the PFASs are present in human milk 16-18, and human milk is composed primarily of lipids 19. However, the relation between PFAS in milk and milk composition is unclear. The chemical and compositional profiles of breast milk are important because of the potential effects on the developing infant. The developmental origins of health and disease hypothesis suggests that early life exposures, such as toxins and nutrients via breast milk, have lasting effects on health, particularly obesity outcomes 20. In fact, some studies have shown associations between PFAS in maternal serum and infant birth weight and later childhood BMI 14,21. Our study will help to better illuminate the potential effects of maternal exposure to PFASs on infant exposure, both through direct transmission into breast milk and indirectly via influence on the lipid profiles of milk. To investigate how early life exposure to perfluoroalkyl substances (PFAS) may affect childhood health outcomes as mediated through breast milk, we propose the following specific aims: 1. Characterize the levels of PFAS in breast milk samples (n=495) in the NHBCS; 2. Characterize the lipid profiles of breast milk samples (n=495) in the NHBCS; 3. Test the relation between PFAS concentration and breast milk lipid profiles; and 4. Test the association between PFAS concentrations in maternal plasma collected during pregnancy with paired breast milk samples (n=100).
Institute
Icahn School of Medicine at Mount Sinai
DepartmentDepartment of Environmental Medicine and Public Health
LaboratoryMount Sinai CHEAR Untargeted Laboratory Hub
Last NameWalker
First NameDouglas
AddressAtran Building RM AB3-39, 1428 Madison Ave
Emaildouglas.walker@mssm.edu
Phone212-241-9891
Submit Date2021-02-10
Raw Data AvailableYes
Raw Data File Type(s)mzXML
Chear StudyYes
Analysis Type DetailLC-MS
Release Date2022-03-11
Release Version1
Douglas Walker Douglas Walker
https://dx.doi.org/10.21228/M82H6Z
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

Select appropriate tab below to view additional metadata details:

Project:

Project ID:PR001088
Project DOI:doi: 10.21228/M82H6Z
Project Title:A prospective study of critical environmental exposures in formative early life that impact lifelong health in rural US children: The New Hampshire Birth Cohort study
Project Summary:Major gaps exist in our knowledge of the health impacts of widespread and dramatically expanding exposures among children in the US. Children from rural regions are particularly understudied but may experience higher exposures to contaminants by drinking unregulated water; from household air pollution from wood stoves; and consequent to their rural and changing landscape (e.g., from climate change). This study aims to investigate new hypotheses and contribute critical exposomic data to address major gaps in our knowledge about early life environmental influences on child health and development in a rural US pregnancy cohort. As part of the ECHO Pediatric Cohorts, we are working with the NIEHS/EPA-supported New Hampshire Birth Cohort Study (NHBCS): a rural, ongoing pregnancy cohort that has accrued over 1,500 maternal-infant dyads with planned expansion to include 3,000 maternal-infant pairs. The study aims to: 1. Leverage the extant NHBCS to perform targeted and unsupervised metabolomic analyses of 1,000 cord blood samples and 250 paired maternal gestational blood samples, and assess associations with exposures, early growth, and the infant microbiome; 2. Expand data acquisition, sample collection and participant accrual to more precisely characterize exposures and timing of early life exposures; and 3. Extend follow-up to identify childhood exposures to contaminants (; the home environment; and medical exposures that relate to fetal and childhood growth, childhood obesity, and childhood respiratory infection, asthma, and pulmonary function. Additionally, novel statistical approaches will be used to determine the role of the intestinal and salivary microbiome as mediators of these effects. The collective expertise, methodologies, data, samples and preliminary results from this study will contribute to the planning of the broader ECHO Pediatric Cohorts initiative in order to advance our understanding of the environmental factors early in life that drive childhood and lifelong health.
Institute:Dartmouth College
Last Name:Romano
First Name:Megan
Address:One Medical Center Drive, Hinman Box 7927, Lebanon, NH, 03756
Email:megan.e.romano@dartmouth.edu
Phone:603-650-1837
Funding Source:National Institute of Environmental Health and Science (NIEHS), P42 ES007373; P20 ES018175/RD-83459901; P01 ES022832/RD 83544201; 4UH3OD023275
Contributors:Megan Romano, Rachel Criswell, Magaret Karagas, Douglas Walker

Subject:

Subject ID:SU001769
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606
Gender:Female

Factors:

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

mb_sample_id local_sample_id Class
SA156659NIST1954_HRE0010_03_006QAQC
SA156660NIST1954_HRE0010_02_010QAQC
SA156661NIST1953_HRE0010_02_009QAQC
SA156662NIST1953_HRE0010_03_005QAQC
SA156663NIST1954_HRE0010_02_004QAQC
SA156664NIST1953_HRE0010_03_001QAQC
SA156665NIST1953_HRE0010_02_003QAQC
SA156666NIST1953_HRE0010_06_003QAQC
SA156667NIST1954_HRE0010_05_006QAQC
SA156668NIST1953_HRE0010_04_009QAQC
SA156669NIST1954_HRE0010_04_010QAQC
SA156670NIST1953_HRE0010_05_001QAQC
SA156671NIST1953_HRE0010_05_005QAQC
SA156672NIST1953_HRE0010_01_005QAQC
SA156673NIST1953_HRE0010_04_005QAQC
SA156674NIST1954_HRE0010_02_002QAQC
SA156675NIST1954_HRE0010_06_004QAQC
SA156676NIST1954_HRE0010_03_002QAQC
SA156677NIST1954_HRE0010_04_008QAQC
SA156678NIST1953_HRE0010_03_003QAQC
SA156679NIST1954_HRE0010_03_004QAQC
SA156680NIST1953_HRE0010_01_009QAQC
SA156681NIST1954_HRE0010_01_010QAQC
SA156682NIST1953_HRE0010_02_001QAQC
SA156683NIST1953_HRE0010_04_007QAQC
SA156684NIST1954_HRE0010_05_008QAQC
SA156685NIST1953_HRE0010_05_007QAQC
SA156686NIST1954_HRE0010_01_008QAQC
SA156687NIST1953_HRE0010_01_007QAQC
SA156688NIST1954_HRE0010_05_002QAQC
SA156689NIST1954_HRE0010_06_002QAQC
SA156690NIST1953_HRE0010_06_001QAQC
SA156691NIST1953_HRE0010_05_009QAQC
SA156692NIST1954_HRE0010_05_010QAQC
SA156693NIST1954_HRE0010_04_006QAQC
SA156694NIST1954_HRE0010_01_006QAQC
SA156695NIST1954_HRE0010_05_004QAQC
SA156696NIST1954_HRE0010_04_002QAQC
SA156697NIST1953_HRE0010_03_009QAQC
SA156698NIST1954_HRE0010_03_010QAQC
SA156699NIST1954_HRE0010_01_004QAQC
SA156700NIST1953_HRE0010_01_003QAQC
SA156701NIST1953_HRE0010_05_003QAQC
SA156702NIST1953_HRE0010_02_007QAQC
SA156703NIST1954_HRE0010_02_008QAQC
SA156704NIST1954_HRE0010_06_006QAQC
SA156705NIST1954_HRE0010_02_006QAQC
SA156706NIST1953_HRE0010_06_005QAQC
SA156707NIST1954_HRE0010_04_004QAQC
SA156708NIST1953_HRE0010_03_007QAQC
SA156709NIST1953_HRE0010_04_003QAQC
SA156710NIST1953_HRE0010_02_005QAQC
SA156711NIST1954_HRE0010_01_002QAQC
SA156712NIST1954_HRE0010_06_008QAQC
SA156713NIST1953_HRE0010_01_001QAQC
SA156714NIST1953_HRE0010_04_001QAQC
SA156715NIST1953_HRE0010_06_007QAQC
SA156716NIST1954_HRE0010_03_008QAQC
SA156717C-23NF4-BR-00Study_Sample
SA156718C-23L79-BR-00Study_Sample
SA156719C-23XV9-BR-00Study_Sample
SA156720C-241M6-BR-00Study_Sample
SA156721C-23CP3-BR-00Study_Sample
SA156722C-23T89-BR-00Study_Sample
SA156723C-23Z75-BR-00Study_Sample
SA156724C-23W37-BR-00Study_Sample
SA156725C-23AL4-BR-00Study_Sample
SA156726C-23C60-BR-00Study_Sample
SA156727C-23JB7-BR-00Study_Sample
SA156728C-23AS8-BR-00Study_Sample
SA156729C-23PB1-BR-00Study_Sample
SA156730C-24240-BR-00Study_Sample
SA156731C-23A96-BR-00Study_Sample
SA156732C-23P34-BR-00Study_Sample
SA156733C-23WT4-BR-00Study_Sample
SA156734C-23PT1-BR-00Study_Sample
SA156735C-23UK6-BR-00Study_Sample
SA156736C-23H81-BR-00Study_Sample
SA156737C-23C37-BR-00Study_Sample
SA156738C-23JG6-BR-00Study_Sample
SA156739C-23JT7-BR-00Study_Sample
SA156740C-23KB6-BR-00Study_Sample
SA156741C-23B95-BR-00Study_Sample
SA156742C-243K8-BR-00Study_Sample
SA156743C-23R32-BR-00Study_Sample
SA156744C-23NS5-BR-00Study_Sample
SA156745C-23L46-BR-00Study_Sample
SA156746C-23WQ1-BR-00Study_Sample
SA156747C-23TR2-BR-00Study_Sample
SA156748C-23N69-BR-00Study_Sample
SA156749C-23PP0-BR-00Study_Sample
SA156750C-23RP8-BR-00Study_Sample
SA156751C-23RJ1-BR-00Study_Sample
SA156752C-23GM6-BR-00Study_Sample
SA156753C-23CF5-BR-00Study_Sample
SA156754C-240L9-BR-00Study_Sample
SA156755C-23KN9-BR-00Study_Sample
SA156756C-23NG2-BR-00Study_Sample
SA156757C-23DL1-BR-00Study_Sample
SA156758C-23FL9-BR-00Study_Sample
Showing page 1 of 6     Results:    1  2  3  4  5  Next  Last     Showing results 1 to 100 of 527

Collection:

Collection ID:CO001762
Collection Summary:The study includes archived biological samples collected during pregnancy (maternal blood, urine, and hair), birth (infant cord blood, placenta, and meconium), and childhood (urine, blood, buccal cells, breast milk, toenails, and stool), and further health outcomes are being assessed through DNA methylation arrays, gene expression, microbiome sequencing, metabolomics and flow cytometry of these samples. Breast milk samples were collected at home by study participants from unsterilized bilateral breasts, with separate study-provided sterile collection bottles used for milk from each breast. To capture a representative portrait of infant exposure during breastfeeding we did not use a sterile collection protocol. Subjects provided a minimum of 18 mL and up to 80 mL of milk from each breast, with a median of 35 mL per breast. Samples were stored in the refrigerator at participants homes for up to approximately 1 day, brought in cold packs to the postpartum follow-up appointment (between 3.7 and 12 weeks after delivery), and immediately chilled. Samples were processed within 24 h of receipt. Samples were stored at -80C until analysis
Sample Type:Breast milk
Storage Conditions:-80℃

Treatment:

Treatment ID:TR001782
Treatment Summary:Study subjects were from the New Hampshire Birth Cohort Study (NHBCS). Eligible participants for this birth cohort are pregnant women between the ages of 18 and 45 years who report using a private well for their home water source and are receiving prenatal care in clinics in New Hampshire, United States, as previously described (Gilbert-Diamond et al., 2011; Farzan et al., 2013). Subjects were recruited between approximately 24 and 28 weeks of gestation at routine prenatal visits. The Center for the Protection of Human Subjects at Dartmouth gave institutional review board approval, and all methods were performed according to guidelines. All subjects gave written informed consent for participation for themselves and their infants. The study is observational, and no treatment occurred.

Sample Preparation:

Sampleprep ID:SP001775
Sampleprep Summary:Prior to sample preparation, breast milk samples were thawed on ice and then vortexed thoroughly to prevent separation of lipid-rich and aqueous phases. Extracts were prepared by treating 75μL of breastmilk sample with 150μL of LC-MS grade acetonitrile containing a series of XX 13C-labelled internal standards (listed below), vortexed, and allowed to equilibrate at 4C for 30 minutes. The extract was then centrifuged for 10 mins at 18,1000 x g and 4C, and 50μL of extract was transferred to an LC autosampler vial containing 50μL of water and placed in a refrigerated autosampler until analysis. Following the same protocol, for each batch matrix blank (replacing the breast milk with H2O) and multiple QAQC samples were extracted. Internal standards used include [13C3]-Cortisol, [13C6]-NNAL, [trimethyl-13C3]-caffeine, [13C8]-PFOA, [13C8]-PFOS, [13C5]-L-methionine, [13C3]-Cotinine, [13C9, 15N]-L-tyrosine, [13C5, 15N]-L-glutamic acid, [13C3]-glyphosate, [13C6]-D-glucose, [13C9]-PFNA, [13C6]-PFHxA, [13C6]-PFHxS, [13C9]-PFDeA and [13C9]-PFUDeA, and were added at levels comparable to those in human plasma samples.
Processing Storage Conditions:4℃
Extraction Method:Protein precipitation with acetontrile.

Combined analysis:

Analysis ID AN002762 AN002763
Analysis type MS MS
Chromatography type Reversed phase Reversed phase
Chromatography system Thermo Vanquish Thermo Vanquish
Column Higgins Analytical Targa C18 (50 x 2.1mm,5um) Higgins Analytical Targa C18 (50 x 2.1mm,5um)
MS Type ESI ESI
MS instrument type Orbitrap Orbitrap
MS instrument name Thermo Q-Exactive HFX Thermo Q-Exactive HFX
Ion Mode POSITIVE NEGATIVE
Units Peak intensity Peak intensity

Chromatography:

Chromatography ID:CH002042
Chromatography Summary:Sample extracts were analyzed using an ultra-high performance liquid chromatography (UHPLC) equipped with dual pumps for both C18-pos and C18-negative analysis uysing a Thermo Scientific Vanquish Duo LC interfaced to a Thermo Scientific Q-Exactive HFX with electrospray ionization source operated in positive mode. Samples were maintained at 4C in the autosampler module. For C18-pos separation, 5 uL of sample was injected onto a C18 columns (50 mm × 2.1 mm, 5 µm particle size, Higgins Analytical Inc) maintained at 30C. Separation occurred using Mobile phase A consisted of water with 0.1% formic acid and Mobile phase B consisted of Acetonitrile with 0.1% formic acid. Flow rate was held at at 0.4 ml/min for 1.5 mins, and increased to 0.5 ml/min. Solvent gradients were as follows: 85% solvent A, hold for 1.5 min; linear decrease to 5% solvent A at 5 minutes; hold for 2.5 min, for a total run time of 7.5 min Data was acquired with a mass range of 85-1275 m/z.
Instrument Name:Thermo Vanquish
Column Name:Higgins Analytical Targa C18 (50 x 2.1mm,5um)
Column Temperature:30C
Flow Rate:0.4-0.5 mL/min
Solvent A:100% water; 0.1% formic acid
Solvent B:100% acetonitrile; 0.1% formic acid
Analytical Time:7.5 min
Chromatography Type:Reversed phase
  
Chromatography ID:CH002043
Chromatography Summary:Sample extracts were analyzed using an ultra-high performance liquid chromatography (UHPLC) equipped with dual pumps for both C18-pos and C18-negative analysis using a Thermo Scientific Vanquish Duo LC interfaced to a Thermo Scientific Q-Exactive HFX with electrospray ionization source operated in negative mode. Samples were maintained at 4C in the autosampler module. For C18-neg separation, 5 uL of sample was injected onto a C18 columns (50 mm × 2.1 mm, 5 µm particle size, Higgins Analytical Inc) maintained at 30C. Separation occurred using Mobile phase A consisted of water with 10mM ammonium acetate and Mobile phase B consisted of Acetonitrile. Flow rate was held at at 0.4 ml/min for 1.5 mins, and increased to 0.5 ml/min. Solvent gradients were as follows: 85% solvent A, hold for 1.5 min; linear decrease to 5% solvent A at 5 minutes; hold for 2.5 min, for a total run time of 7.5 min Data was acquired with a mass range of 85-1275 m/z.
Instrument Name:Thermo Vanquish
Column Name:Higgins Analytical Targa C18 (50 x 2.1mm,5um)
Column Temperature:30C
Flow Rate:0.4-0.5 mL/min
Solvent A:100% water; 10mM ammonium acetate
Solvent B:100% acetonitrile
Analytical Time:7.5 min
Chromatography Type:Reversed phase

MS:

MS ID:MS002559
Analysis ID:AN002762
Instrument Name:Thermo Q-Exactive HFX
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:Analysis was performed for all batches in each mode. Database dependent targeted identification: Metabolites were identified based upon in-house database matching considering retention time, accurate mass, and MSMS matching (when available) matching with pure standards analyzed under the same conditions. Untargeted feature tables were generated by converting .RAW files to mzXML, and extracted using apLCMS at 5 different peak detection parameters. The resulting tables were merged using xMSanalyzer to remove redundant peaks, and batch corrected using ComBAT. All scripts for data extraction are included in the raw datafile uploads.
Ion Mode:POSITIVE
Capillary Temperature:300
Capillary Voltage:35 (S-Lens RF)
Dry Gas Flow:45
Ionization:Postive
Source Temperature:250
Spray Voltage:3500
Processing Parameters File:apLCMSv6.6.8_runscript_c18-pos_HRE0010_02Dec2020.r
xMSanalyzer_v2.0.8_HRE0010-C18pos_18Dec2020.r
  
MS ID:MS002560
Analysis ID:AN002763
Instrument Name:Thermo Q-Exactive HFX
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:Analysis was performed for all batches in each mode. Database dependent targeted identification: Metabolites were identified based upon in-house database matching considering retention time, accurate mass, and MSMS matching (when available) matching with pure standards analyzed under the same conditions. Untargeted feature tables were generated by converting .RAW files to mzXML, and extracted using apLCMS at 5 different peak detection parameters. The resulting tables were merged using xMSanalyzer to remove redundant peaks, and batch corrected using ComBAT. All scripts for data extraction are included in the raw datafile uploads.
Ion Mode:NEGATIVE
Capillary Temperature:300
Capillary Voltage:4000 (S-Lens RF)
Dry Gas Flow:45
Ionization:Negative
Source Temperature:250
Spray Voltage:-4000
Processing Parameters File:apLCMSv6.6.8_runscript_c18-neg_HRE0010_02Dec2020.r
xMSanalyzer_v2.0.8_HRE0010-C18neg_18Dec2020.r
  logo