Summary of Study ST002700

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 PR001606. The data can be accessed directly via it's Project DOI: 10.21228/M83T4M 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 IDST002700
Study TitleMetabolomic analysis of maternal mid-gestation plasma and cord blood: lipidomics
Study SummaryMetabolomic analysis of maternal mid-gestation plasma and cord blood reveals evidence in autism spectrum disorder of inflammation, disruption of membrane integrity, and impaired neurotransmission and neurotoxicity. The discovery of prenatal and neonatal molecular biomarkers has the potential to yield insights into autism spectrum disorder (ASD) and facilitate early diagnosis. We characterized metabolomic profiles in ASD using plasma samples collected in the Norwegian Autism Birth Cohort from mothers at weeks 17-21 gestation (maternal mid-gestation, MMG, n=408) and from children on the day of birth (cord blood, CB, n=418). We analyzed associations using sex-stratified adjusted logistic regression models with Bayesian analyses. Chemical enrichment analyses (ChemRICH) were performed to determine altered chemical clusters. We also employed machine learning algorithms to assess the utility of metabolomics as ASD biomarkers. We identified ASD associations with a variety of chemical compounds including arachidonic acid, glutamate, and glutamine, and metabolite clusters including hydroxy eicospentaenoic acids, phosphatidylcholines, and ceramides in MMG and CB plasma that are consistent with inflammation, disruption of membrane integrity, and impaired neurotransmission and neurotoxicity. Girls with ASD have disruption of ether/non-ether phospholipid balance in the MMG plasma that is similar to that found in other neurodevelopmental disorders. ASD boys in the CB analyses had the highest number of dysregulated chemical clusters. Machine learning classifiers distinguished ASD cases from controls with AUC values ranging from 0.710 to 0.853. Predictive performance was better in CB analyses than in MMG. These findings may provide new insights into the sex-specific differences in ASD and have implications for discovery of biomarkers that may enable early diagnosis and intervention.
Institute
Columbia University
DepartmentCenter for Infection and Immunity
LaboratoryCenter for Infection and Immunity
Last NameLipkin
First NameW. Ian
Address722 W. 168th St., 17th Floor, New York, NY, 10032
Emailwil2001@cumc.columbia.edu
Phone(212) 342-9033
Submit Date2023-02-24
Raw Data AvailableYes
Raw Data File Type(s)d
Analysis Type DetailLC-MS
Release Date2023-07-02
Release Version1
W. Ian Lipkin W. Ian Lipkin
https://dx.doi.org/10.21228/M83T4M
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

Select appropriate tab below to view additional metadata details:

Project:

Project ID:PR001606
Project DOI:doi: 10.21228/M83T4M
Project Title:Metabolomic analysis of maternal mid-gestation plasma and cord blood
Project Summary:Metabolomic analysis of maternal mid-gestation plasma and cord blood reveals evidence in autism spectrum disorder of inflammation, disruption of membrane integrity, and impaired neurotransmission and neurotoxicity. The discovery of prenatal and neonatal molecular biomarkers has the potential to yield insights into autism spectrum disorder (ASD) and facilitate early diagnosis. We characterized metabolomic profiles in ASD using plasma samples collected in the Norwegian Autism Birth Cohort from mothers at weeks 17-21 gestation (maternal mid-gestation, MMG, n=408) and from children on the day of birth (cord blood, CB, n=418). We analyzed associations using sex-stratified adjusted logistic regression models with Bayesian analyses. Chemical enrichment analyses (ChemRICH) were performed to determine altered chemical clusters. We also employed machine learning algorithms to assess the utility of metabolomics as ASD biomarkers. We identified ASD associations with a variety of chemical compounds including arachidonic acid, glutamate, and glutamine, and metabolite clusters including hydroxy eicospentaenoic acids, phosphatidylcholines, and ceramides in MMG and CB plasma that are consistent with inflammation, disruption of membrane integrity, and impaired neurotransmission and neurotoxicity. Girls with ASD have disruption of ether/non-ether phospholipid balance in the MMG plasma that is similar to that found in other neurodevelopmental disorders. ASD boys in the CB analyses had the highest number of dysregulated chemical clusters. Machine learning classifiers distinguished ASD cases from controls with AUC values ranging from 0.710 to 0.853. Predictive performance was better in CB analyses than in MMG. These findings may provide new insights into the sex-specific differences in ASD and have implications for discovery of biomarkers that may enable early diagnosis and intervention.
Institute:Columbia University
Department:Center for Infection and Immunity
Laboratory:Center for Infection and Immunity
Last Name:Lipkin
First Name:W. Ian
Address:722 W. 168th St., 17th Floor, New York, NY, 10032
Email:wil2001@cumc.columbia.edu
Phone:(212) 342-9033

Subject:

Subject ID:SU002805
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 Sex Diagnosis
SA269819MtdBlank061Blank Blank
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SA269822MtdBlank063Blank Blank
SA269823MtdBlank065Blank Blank
SA269824MtdBlank064Blank Blank
SA269825MtdBlank021Blank Blank
SA269826MtdBlank022Blank Blank
SA269827MtdBlank024Blank Blank
SA269828MtdBlank057Blank Blank
SA269829MtdBlank058Blank Blank
SA269830MtdBlank023Blank Blank
SA269831MtdBlank059Blank Blank
SA269832MtdBlank066Blank Blank
SA269833MtdBlank067Blank Blank
SA269834MtdBlank075Blank Blank
SA269835MtdBlank042Blank Blank
SA269836MtdBlank076Blank Blank
SA269837MtdBlank077Blank Blank
SA269838MtdBlank079Blank Blank
SA269839MtdBlank078Blank Blank
SA269840MtdBlank073Blank Blank
SA269841MtdBlank072Blank Blank
SA269842MtdBlank068Blank Blank
SA269843MtdBlank025Blank Blank
SA269844MtdBlank069Blank Blank
SA269845MtdBlank070Blank Blank
SA269846MtdBlank071Blank Blank
SA269847MtdBlank080Blank Blank
SA269848MtdBlank056Blank Blank
SA269849MtdBlank047Blank Blank
SA269850MtdBlank037Blank Blank
SA269851MtdBlank036Blank Blank
SA269852MtdBlank048Blank Blank
SA269853MtdBlank049Blank Blank
SA269854MtdBlank035Blank Blank
SA269855MtdBlank038Blank Blank
SA269856MtdBlank046Blank Blank
SA269857MtdBlank043Blank Blank
SA269858MtdBlank041Blank Blank
SA269859MtdBlank040Blank Blank
SA269860MtdBlank044Blank Blank
SA269861MtdBlank039Blank Blank
SA269862MtdBlank045Blank Blank
SA269863MtdBlank034Blank Blank
SA269864MtdBlank033Blank Blank
SA269865MtdBlank028Blank Blank
SA269866MtdBlank053Blank Blank
SA269867MtdBlank054Blank Blank
SA269868MtdBlank027Blank Blank
SA269869MtdBlank081Blank Blank
SA269870MtdBlank055Blank Blank
SA269871MtdBlank029Blank Blank
SA269872MtdBlank030Blank Blank
SA269873MtdBlank032Blank Blank
SA269874MtdBlank050Blank Blank
SA269875MtdBlank051Blank Blank
SA269876MtdBlank031Blank Blank
SA269877MtdBlank052Blank Blank
SA269878MtdBlank026Blank Blank
SA269879MtdBlank074Blank Blank
SA269880MtdBlank092Blank Blank
SA269881MtdBlank093Blank Blank
SA269882MtdBlank094Blank Blank
SA269883MtdBlank091Blank Blank
SA269884MtdBlank090Blank Blank
SA269885MtdBlank086Blank Blank
SA269886MtdBlank087Blank Blank
SA269887MtdBlank088Blank Blank
SA269888MtdBlank095Blank Blank
SA269889MtdBlank096Blank Blank
SA269890MtdBlank102Blank Blank
SA269891MtdBlank103Blank Blank
SA269892MtdBlank104Blank Blank
SA269893MtdBlank101Blank Blank
SA269894MtdBlank100Blank Blank
SA269895MtdBlank097Blank Blank
SA269896MtdBlank098Blank Blank
SA269897MtdBlank099Blank Blank
SA269898MtdBlank085Blank Blank
SA269899MtdBlank089Blank Blank
SA269900MtdBlank082Blank Blank
SA269901MtdBlank083Blank Blank
SA269902MtdBlank084Blank Blank
SA269818BLANKBLANK BLANK
SA269903ABC-19926Female CASE
SA269904ABC-17540Female CASE
SA269905ABC-20903Female CASE
SA269906ABC-21479Female CASE
SA269907ABC-20769Female CASE
SA269908ABC-19438Female CASE
SA269909ABC-18738Female CASE
SA269910ABC-19458Female CASE
SA269911ABC-21537Female CASE
SA269912ABC-11191Female CASE
SA269913ABC-2332Female CASE
SA269914ABC-18778Female CASE
SA269915ABC-21318Female CASE
SA269916ABC-21004Female CASE
SA269917ABC-16796Female CASE
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Collection:

Collection ID:CO002798
Collection Summary:spun inside centrifuge and processed
Sample Type:Blood (plasma)

Treatment:

Treatment ID:TR002814
Treatment Summary:NA

Sample Preparation:

Sampleprep ID:SP002811
Sampleprep Summary:SOP blood-LCGCextract-02252019
Sampleprep Protocol Filename:SOP_blood-LCGCextract-02252019.docx

Combined analysis:

Analysis ID AN004376 AN004377
Analysis type MS MS
Chromatography type Reversed phase Reversed phase
Chromatography system Agilent 1290 Infinity Agilent 1290 Infinity
Column Waters ACQUITY UPLC BEH C18 (50 x 2.1mm,1.7um) Waters ACQUITY UPLC BEH C18 (50 x 2.1mm,1.7um)
MS Type ESI ESI
MS instrument type QTOF QTOF
MS instrument name Agilent 6546 QTOF Agilent 6546 QTOF
Ion Mode POSITIVE NEGATIVE
Units normalized peak heights normalized peak heights

Chromatography:

Chromatography ID:CH003282
Instrument Name:Agilent 1290 Infinity
Column Name:Waters ACQUITY UPLC BEH C18 (50 x 2.1mm,1.7um)
Column Temperature:65°C
Flow Gradient:0 min 15% (B), 0–0.75 min 30% (B), 0.75-0.98 min 48% (B), 0.98-4.00 min 82% (B), 4.00-4.13 min 99% (B), 4.13-4.50 min 99% (B), 4.50-4.58 min 15% (B), 4.58-5.50 min 15% (B)
Flow Rate:0.8 mL/min
Solvent A:60% acetonitrile/40% water; 10 mM ammonium formate; 0.1% formic acid
Solvent B:90% isopropanol/10% acetonitrile; 10 mM ammonium formate; 0.1% formic acid
Chromatography Type:Reversed phase

MS:

MS ID:MS004125
Analysis ID:AN004376
Instrument Name:Agilent 6546 QTOF
Instrument Type:QTOF
MS Type:ESI
MS Comments:The quadrupole/time-of-flight (QTOF) mass spectrometers are operated with electrospray ionization (ESI) performing full scan in the mass range m/z 65–1700. Agilent 6546 is equipped with a dual JetStream Source. modes producing both unique and complementary spectra. Instrument parameters are as follows (positive mode) Gas Temp 320°C, Gas Flow 8 l/min, Nebulizer 35 psi, Sheath Gas 350°C, Sheath Gas Flow 11, Capillary Voltage 3500 V, Nozzle Voltage 1000V, Fragmentor 175V, Skimmer 65V. Data (both profile and centroid) are collected at a rate of 5 scans per second. In negative ion mode, Gas Temp 360°C, Gas Flow 9 l/min, Fragmentor 120V, with the other parameters identical to positive ion mode. A reference solution generating ions of 121.050 and 922.007 m/z in positive mode and 119.036 and 966.0007 m/z in negative mode, and these are used for continuous mass correction.
Ion Mode:POSITIVE
  
MS ID:MS004126
Analysis ID:AN004377
Instrument Name:Agilent 6546 QTOF
Instrument Type:QTOF
MS Type:ESI
MS Comments:The quadrupole/time-of-flight (QTOF) mass spectrometers are operated with electrospray ionization (ESI) performing full scan in the mass range m/z 65–1700. Agilent 6546 is equipped with a dual JetStream Source. modes producing both unique and complementary spectra. Instrument parameters are as follows (positive mode) Gas Temp 320°C, Gas Flow 8 l/min, Nebulizer 35 psi, Sheath Gas 350°C, Sheath Gas Flow 11, Capillary Voltage 3500 V, Nozzle Voltage 1000V, Fragmentor 175V, Skimmer 65V. Data (both profile and centroid) are collected at a rate of 5 scans per second. In negative ion mode, Gas Temp 360°C, Gas Flow 9 l/min, Fragmentor 120V, with the other parameters identical to positive ion mode. A reference solution generating ions of 121.050 and 922.007 m/z in positive mode and 119.036 and 966.0007 m/z in negative mode, and these are used for continuous mass correction.
Ion Mode:NEGATIVE
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