Summary of Study ST002711

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 IDST002711
Study TitleMetabolomic analysis of maternal mid-gestation plasma and cord blood: biogenic amines
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 Date2023-05-19
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:SU002816
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
SA272430CB-272_BLANKBLANK BLANK
SA272431CB-340_ABC-19850Female CASE
SA272432CB-99_ABC-21007Female CASE
SA272433MMG-276_ABC-16602Female CASE
SA272434CB-348_ABC-3414Female CASE
SA272435CB-91_ABC-20531Female CASE
SA272436CB-356_ABC-21537Female CASE
SA272437CB-331_ABC-3681Female CASE
SA272438MMG-286_ABC-21479Female CASE
SA272439CB-109_ABC-17316Female CASE
SA272440CB-305_ABC-19047Female CASE
SA272441MMG-367_ABC-19714Female CASE
SA272442CB-315_ABC-21823Female CASE
SA272443MMG-268_ABC-9987Female CASE
SA272444CB-323_ABC-16329Female CASE
SA272445CB-366_ABC-18738Female CASE
SA272446CB-407_ABC-17540Female CASE
SA272447CB-74_ABC-19756Female CASE
SA272448MMG-250_ABC-11191Female CASE
SA272449CB-417_ABC-17759Female CASE
SA272450CB-66_ABC-19930Female CASE
SA272451MMG-7_ABC-19205Female CASE
SA272452CB-399_ABC-20769Female CASE
SA272453CB-391_ABC-20870Female CASE
SA272454CB-382_ABC-11725Female CASE
SA272455CB-374_ABC-20952Female CASE
SA272456CB-168_ABC-21528Female CASE
SA272457MMG-377_ABC-20867Female CASE
SA272458MMG-258_ABC-5893Female CASE
SA272459MMG-178_ABC-20900Female CASE
SA272460MMG-294_ABC-16796Female CASE
SA272461CB-150_ABC-21476Female CASE
SA272462CB-201_ABC-21318Female CASE
SA272463CB-211_ABC-3138Female CASE
SA272464CB-220_ABC-17926Female CASE
SA272465CB-142_ABC-20956Female CASE
SA272466MMG-322_ABC-2836Female CASE
SA272467MMG-331_ABC-17760Female CASE
SA272468MMG-349_ABC-17697Female CASE
SA272469CB-176_ABC-17482Female CASE
SA272470MMG-341_ABC-2262Female CASE
SA272471CB-185_ABC-19283Female CASE
SA272472CB-160_ABC-7113Female CASE
SA272473CB-193_ABC-20903Female CASE
SA272474CB-228_ABC-2200Female CASE
SA272475CB-237_ABC-21076Female CASE
SA272476CB-271_ABC-19465Female CASE
SA272477CB-125_ABC-18756Female CASE
SA272478CB-280_ABC-10358Female CASE
SA272479CB-289_ABC-2180Female CASE
SA272480MMG-385_ABC-20792Female CASE
SA272481CB-117_ABC-17438Female CASE
SA272482MMG-304_ABC-21723Female CASE
SA272483MMG-359_ABC-20950Female CASE
SA272484CB-134_ABC-4344Female CASE
SA272485CB-245_ABC-4191Female CASE
SA272486MMG-312_ABC-16673Female CASE
SA272487CB-253_ABC-20046Female CASE
SA272488CB-263_ABC-11634Female CASE
SA272489CB-297_ABC-21684Female CASE
SA272490CB-83_ABC-16997Female CASE
SA272491MMG-95_ABC-19458Female CASE
SA272492MMG-87_ABC-21004Female CASE
SA272493MMG-240_ABC-19632Female CASE
SA272494MMG-105_ABC-19926Female CASE
SA272495MMG-204_ABC-16430Female CASE
SA272496MMG-214_ABC-10032Female CASE
SA272497MMG-77_ABC-18778Female CASE
SA272498MMG-222_ABC-21073Female CASE
SA272499MMG-393_ABC-11918Female CASE
SA272500MMG-69_ABC-18865Female CASE
SA272501CB-40_ABC-19202Female CASE
SA272502MMG-113_ABC-19438Female CASE
SA272503MMG-123_ABC-16993Female CASE
SA272504MMG-186_ABC-20853Female CASE
SA272505MMG-149_ABC-5666Female CASE
SA272506MMG-159_ABC-19881Female CASE
SA272507CB-7_ABC-2298Female CASE
SA272508MMG-168_ABC-19407Female CASE
SA272509CB-15_ABC-21379Female CASE
SA272510MMG-141_ABC-21970Female CASE
SA272511CB-23_ABC-18908Female CASE
SA272512MMG-401_ABC-16983Female CASE
SA272513MMG-196_ABC-2332Female CASE
SA272514MMG-131_ABC-20953Female CASE
SA272515MMG-59_ABC-16904Female CASE
SA272516CB-32_ABC-3185Female CASE
SA272517CB-58_ABC-19574Female CASE
SA272518MMG-23_ABC-2299Female CASE
SA272519MMG-33_ABC-2881Female CASE
SA272520MMG-41_ABC-19210Female CASE
SA272521MMG-232_ABC-17671Female CASE
SA272522MMG-51_ABC-17221Female CASE
SA272523CB-48_ABC-16466Female CASE
SA272524MMG-15_ABC-19050Female CASE
SA272525CB-221_ABC-8651Female CONTROL
SA272526CB-418_ABC-10990Female CONTROL
SA272527MMG-323_ABC-17707Female CONTROL
SA272528MMG-142_ABC-7591Female CONTROL
SA272529MMG-132_ABC-10400Female CONTROL
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Collection:

Collection ID:CO002809
Collection Summary:spun inside centrifuge and processed
Sample Type:Blood (plasma)

Treatment:

Treatment ID:TR002825
Treatment Summary:NA

Sample Preparation:

Sampleprep ID:SP002822
Sampleprep Summary:SOP blood-LCGCextract-02252019

Combined analysis:

Analysis ID AN004393 AN004394
Analysis type MS MS
Chromatography type HILIC HILIC
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 6530 QTOF Agilent 6550 QTOF
Ion Mode POSITIVE NEGATIVE
Units normalized peak heights normalized peak heights

Chromatography:

Chromatography ID:CH003296
Instrument Name:Agilent 1290 Infinity
Column Name:Waters ACQUITY UPLC BEH C18 (50 x 2.1mm,1.7um)
Column Temperature:45°C
Flow Gradient:0 min, 100% B; 0.5 min, 100% B; 1.95 min, 70% B; 2.55 min, 30% B; 3.15 min, 100% B; 3.8 min, 100% B
Flow Rate:0.8 mL/min
Solvent A:100% water; 10 mM ammonium formate + 0.125% formic acid, pH 3
Solvent B:95% acetonitrile/5% water; 10 mM ammonium formate; 0.125% formic acid, pH 3
Chromatography Type:HILIC

MS:

MS ID:MS004142
Analysis ID:AN004393
Instrument Name:Agilent 6530 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 in positive (Agilent 6530, equipped with a JetStreamSource) and negative (Agilent 6550, equipped with a dual JetStream Source) modes producing both unique and complementary spectra. Instrument parameters are as follows (positive mode) Gas Temp 325°C, Gas Flow 8 l/min, Nebulizer 35 psig, Sheath Gas 350°C, Sheath Gas Flow 11, Capillary Voltage 3500 V, Nozzle Voltage 1000V, Fragmentor 120V, Skimmer 65V. Data (both profile and centroid) are collected at a rate of 2 scans per second. In negative ion mode, Gas Temp 200°C, Gas Flow 14 l/min, Fragmentor 175V, with the other parameters identical to positive ion mode. For the 6530 QTOF, 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. For the 6550, the reference solution is introduced via a dual spray ESI, with the same ions and continuous mass correction
Ion Mode:POSITIVE
  
MS ID:MS004143
Analysis ID:AN004394
Instrument Name:Agilent 6550 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 in positive (Agilent 6530, equipped with a JetStreamSource) and negative (Agilent 6550, equipped with a dual JetStream Source) modes producing both unique and complementary spectra. Instrument parameters are as follows (positive mode) Gas Temp 325°C, Gas Flow 8 l/min, Nebulizer 35 psig, Sheath Gas 350°C, Sheath Gas Flow 11, Capillary Voltage 3500 V, Nozzle Voltage 1000V, Fragmentor 120V, Skimmer 65V. Data (both profile and centroid) are collected at a rate of 2 scans per second. In negative ion mode, Gas Temp 200°C, Gas Flow 14 l/min, Fragmentor 175V, with the other parameters identical to positive ion mode. For the 6530 QTOF, 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. For the 6550, the reference solution is introduced via a dual spray ESI, with the same ions and continuous mass correction
Ion Mode:NEGATIVE
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