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Article ; Online: Invited Perspective: Application of Nontargeted Analysis in Characterizing the Maternal and Child Exposome.

Liang, Donghai / Walker, Douglas I

2023 Volume 131, Issue 7, Page(s) 71303

MeSH term(s)	Humans ; Child ; Female ; Exposome ; Environmental Exposure ; Maternal Exposure
Language	English
Publishing date	2023-07-19
Publishing country	United States
Document type	Journal Article ; Comment
ZDB-ID	195189-0
ISSN	1552-9924 ; 0091-6765 ; 1078-0475
ISSN (online)	1552-9924
ISSN	0091-6765 ; 1078-0475
DOI	10.1289/EHP13042
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Article ; Online: Operationalizing the Exposome Using Passive Silicone Samplers.

Fuentes, Zoe Coates / Schwartz, Yuri Levin / Robuck, Anna R / Walker, Douglas I

Current pollution reports

2022 Volume 8, Issue 1, Page(s) 1–29

Abstract: The exposome, which is defined as the cumulative effect of environmental exposures and corresponding biological responses, aims to provide a comprehensive measure for evaluating non-genetic causes of disease. Operationalization of the exposome for ... ...

Abstract	The exposome, which is defined as the cumulative effect of environmental exposures and corresponding biological responses, aims to provide a comprehensive measure for evaluating non-genetic causes of disease. Operationalization of the exposome for environmental health and precision medicine has been limited by the lack of a universal approach for characterizing complex exposures, particularly as they vary temporally and geographically. To overcome these challenges, passive sampling devices (PSDs) provide a key measurement strategy for deep exposome phenotyping, which aims to provide comprehensive chemical assessment using untargeted high-resolution mass spectrometry for exposome-wide association studies. To highlight the advantages of silicone PSDs, we review their use in population studies and evaluate the broad range of applications and chemical classes characterized using these samplers. We assess key aspects of incorporating PSDs within observational studies, including the need to preclean samplers prior to use to remove impurities that interfere with compound detection, analytical considerations, and cost. We close with strategies on how to incorporate measures of the external exposome using PSDs, and their advantages for reducing variability in exposure measures and providing a more thorough accounting of the exposome. Continued development and application of silicone PSDs will facilitate greater understanding of how environmental exposures drive disease risk, while providing a feasible strategy for incorporating untargeted, high-resolution characterization of the external exposome in human studies.
Language	English
Publishing date	2022-01-04
Publishing country	Switzerland
Document type	Journal Article ; Review
ISSN	2198-6592
ISSN (online)	2198-6592
DOI	10.1007/s40726-021-00211-6
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Article ; Online: Metabolomics for exposure assessment and toxicity effects of occupational pollutants: current status and future perspectives.

Dehghani, Fatemeh / Yousefinejad, Saeed / Walker, Douglas I / Omidi, Fariborz

Metabolomics : Official journal of the Metabolomic Society

2022 Volume 18, Issue 9, Page(s) 73

Abstract: Introduction: Work-related exposures to harmful agents or factors are associated with an increase in incidence of occupational diseases. These exposures often represent a complex mixture of different stressors, challenging the ability to delineate the ... ...

Abstract	Introduction: Work-related exposures to harmful agents or factors are associated with an increase in incidence of occupational diseases. These exposures often represent a complex mixture of different stressors, challenging the ability to delineate the mechanisms and risk factors underlying exposure-disease relationships. The use of omics measurement approaches that enable characterization of biological marker patterns provide internal indicators of molecular alterations, which could be used to identify bioeffects following exposure to a toxicant. Metabolomics is the comprehensive analysis of small molecule present in biological samples, and allows identification of potential modes of action and altered pathways by systematic measurement of metabolites. Objectives: The aim of this study is to review the application of metabolomics studies for use in occupational health, with a focus on applying metabolomics for exposure monitoring and its relationship to occupational diseases. Methods: PubMed, Web of Science, Embase and Scopus electronic databases were systematically searched for relevant studies published up to 2021. Results: Most of reviewed studies included worker populations exposed to heavy metals such as As, Cd, Pb, Cr, Ni, Mn and organic compounds such as tetrachlorodibenzo-p-dioxin, trichloroethylene, polyfluoroalkyl, acrylamide, polyvinyl chloride. Occupational exposures were associated with changes in metabolites and pathways, and provided novel insight into the relationship between exposure and disease outcomes. The reviewed studies demonstrate that metabolomics provides a powerful ability to identify metabolic phenotypes and bioeffect of occupational exposures. Conclusion: Continued application to worker populations has the potential to enable characterization of thousands of chemical signals in biological samples, which could lead to discovery of new biomarkers of exposure for chemicals, identify possible toxicological mechanisms, and improved understanding of biological effects increasing disease risk associated with occupational exposure.
MeSH term(s)	Biomarkers ; Environmental Pollutants/analysis ; Environmental Pollutants/toxicity ; Humans ; Metabolomics ; Occupational Diseases/etiology ; Occupational Exposure/adverse effects ; Occupational Exposure/analysis
Chemical Substances	Biomarkers ; Environmental Pollutants
Language	English
Publishing date	2022-09-09
Publishing country	United States
Document type	Journal Article ; Review ; Systematic Review ; Research Support, Non-U.S. Gov't
ZDB-ID	2250617-2
ISSN	1573-3890 ; 1573-3882
ISSN (online)	1573-3890
ISSN	1573-3882
DOI	10.1007/s11306-022-01930-7
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Article: Operationalizing the Exposome Using Passive Silicone Samplers

Fuentes, Zoe Coates / Schwartz, Yuri Levin / Robuck, Anna R. / Walker, Douglas I.

Current pollution reports. 2022 Mar., v. 8, no. 1

2022

Abstract	The exposome, which is defined as the cumulative effect of environmental exposures and corresponding biological responses, aims to provide a comprehensive measure for evaluating non-genetic causes of disease. Operationalization of the exposome for environmental health and precision medicine has been limited by the lack of a universal approach for characterizing complex exposures, particularly as they vary temporally and geographically. To overcome these challenges, passive sampling devices (PSDs) provide a key measurement strategy for deep exposome phenotyping, which aims to provide comprehensive chemical assessment using untargeted high-resolution mass spectrometry for exposome-wide association studies. To highlight the advantages of silicone PSDs, we review their use in population studies and evaluate the broad range of applications and chemical classes characterized using these samplers. We assess key aspects of incorporating PSDs within observational studies, including the need to preclean samplers prior to use to remove impurities that interfere with compound detection, analytical considerations, and cost. We close with strategies on how to incorporate measures of the external exposome using PSDs, and their advantages for reducing variability in exposure measures and providing a more thorough accounting of the exposome. Continued development and application of silicone PSDs will facilitate greater understanding of how environmental exposures drive disease risk, while providing a feasible strategy for incorporating untargeted, high-resolution characterization of the external exposome in human studies.
Keywords	environmental health ; exposome ; humans ; mass spectrometry ; phenotype ; pollution ; precision medicine ; risk ; silicone
Language	English
Dates of publication	2022-03
Size	p. 1-29.
Publishing place	Springer International Publishing
Document type	Article
Note	Review
ISSN	2198-6592
DOI	10.1007/s40726-021-00211-6
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: Association between Neuroligin-1 polymorphism and plasma glutamine levels in individuals with autism spectrum disorder.

Lee, In-Hee / Walker, Douglas I / Lin, Yufei / Smith, Matthew Ryan / Mandl, Kenneth D / Jones, Dean P / Kong, Sek Won

EBioMedicine

2023 Volume 95, Page(s) 104746

Abstract: Background: Unravelling the relationships between candidate genes and autism spectrum disorder (ASD) phenotypes remains an outstanding challenge. Endophenotypes, defined as inheritable, measurable quantitative traits, might provide intermediary links ... ...

Abstract	Background: Unravelling the relationships between candidate genes and autism spectrum disorder (ASD) phenotypes remains an outstanding challenge. Endophenotypes, defined as inheritable, measurable quantitative traits, might provide intermediary links between genetic risk factors and multifaceted ASD phenotypes. In this study, we sought to determine whether plasma metabolite levels could serve as endophenotypes in individuals with ASD and their family members. Methods: We employed an untargeted, high-resolution metabolomics platform to analyse 14,342 features across 1099 plasma samples. These samples were collected from probands and their family members participating in the Autism Genetic Resource Exchange (AGRE) (N = 658), compared with neurotypical individuals enrolled in the PrecisionLink Health Discovery (PLHD) program at Boston Children's Hospital (N = 441). We conducted a metabolite quantitative trait loci (mQTL) analysis using whole-genome genotyping data from each cohort in AGRE and PLHD, aiming to prioritize significant mQTL and metabolite pairs that were exclusively observed in AGRE. Findings: Within the AGRE group, we identified 54 significant associations between genotypes and metabolite levels (P < 5.27 × 10 Interpretation: Our findings suggest that plasma glutamine levels could potentially serve as an endophenotype, thus establishing a link between the genetic risk associated with NLGN1 and the severity of RRB in ASD. This identified association could facilitate the development of novel therapeutic targets, assist in selecting specific cohorts for clinical trials, and provide insights into target symptoms for future ASD treatment strategies. Funding: This work was supported by the National Institute of Health (grant numbers: R01MH107205, U01TR002623, R24OD024622, OT2OD032720, and R01NS129188) and the PrecisionLink Biobank for Health Discovery at Boston Children's Hospital.
MeSH term(s)	Child ; Humans ; Autism Spectrum Disorder/blood ; Autism Spectrum Disorder/genetics ; Autism Spectrum Disorder/metabolism ; Endophenotypes ; Genotype ; Glutamine/blood ; Polymorphism, Single Nucleotide
Chemical Substances	Glutamine (0RH81L854J) ; neuroligin 1
Language	English
Publishing date	2023-08-04
Publishing country	Netherlands
Document type	Clinical Study ; Journal Article
ZDB-ID	2851331-9
ISSN	2352-3964
ISSN (online)	2352-3964
DOI	10.1016/j.ebiom.2023.104746
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Article ; Online: Dioxin(-like)-Related Biological Effects through Integrated Chemical-wide and Metabolome-wide Analyses.

Zhao, Yujia / Meijer, Jeroen / Walker, Douglas I / Kim, Juni / Portengen, Lützen / Jones, Dean P / Saberi Hosnijeh, Fatemeh / Vlaanderen, Jelle / Vermeulen, Roel

Environmental science & technology

2023 Volume 58, Issue 1, Page(s) 258–268

Abstract: Dioxin(-like) exposures are linked to adverse health effects, including cancer. However, metabolic alterations induced by these chemicals remain largely unknown. Beyond known dioxin(-like) compounds, we leveraged a chemical-wide approach to assess ... ...

Abstract	Dioxin(-like) exposures are linked to adverse health effects, including cancer. However, metabolic alterations induced by these chemicals remain largely unknown. Beyond known dioxin(-like) compounds, we leveraged a chemical-wide approach to assess chlorinated co-exposures and parent compound products [termed dioxin(-like)-related compounds] among 137 occupational workers. Endogenous metabolites were profiled by untargeted metabolomics, namely, reversed-phase chromatography with negative electrospray ionization (C18-negative) and hydrophilic interaction liquid chromatography with positive electrospray ionization (HILIC-positive). We performed a metabolome-wide association study to select dioxin(-like) associated metabolic features using a 20% false discovery rate threshold. Metabolic features were then characterized by pathway enrichment analyses. There are no significant features associated with polychlorinated dibenzo-
MeSH term(s)	Humans ; Dioxins ; Polychlorinated Dibenzodioxins ; Polychlorinated Biphenyls/analysis ; Polychlorinated Biphenyls/chemistry ; Neoplasms ; Metabolome
Chemical Substances	Dioxins ; Polychlorinated Dibenzodioxins ; Polychlorinated Biphenyls (DFC2HB4I0K)
Language	English
Publishing date	2023-12-27
Publishing country	United States
Document type	Journal Article
ISSN	1520-5851
ISSN (online)	1520-5851
DOI	10.1021/acs.est.3c07588
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Article ; Online: Metabolite Stability in Archived Neonatal Dried Blood Spots Used for Epidemiologic Research.

He, Di / Yan, Qi / Uppal, Karan / Walker, Douglas I / Jones, Dean P / Ritz, Beate / Heck, Julia E

American journal of epidemiology

2023 Volume 192, Issue 10, Page(s) 1720–1730

Abstract: Epidemiologic studies of low-frequency exposures or outcomes using metabolomics analyses of neonatal dried blood spots (DBS) often require assembly of samples with substantial differences in duration of storage. Independent assessment of stability of ... ...

Abstract	Epidemiologic studies of low-frequency exposures or outcomes using metabolomics analyses of neonatal dried blood spots (DBS) often require assembly of samples with substantial differences in duration of storage. Independent assessment of stability of metabolites in archived DBS will enable improved design and interpretation of epidemiologic research utilizing DBS. Neonatal DBS routinely collected and stored as part of the California Genetic Disease Screening Program between 1983 and 2011 were used. The study population included 899 children without cancer before age 6 years, born in California. High-resolution metabolomics with liquid-chromatography mass spectrometry was performed, and the relative ion intensities of common metabolites and selected xenobiotic metabolites of nicotine (cotinine and hydroxycotinine) were evaluated. In total, we detected 26,235 mass spectral features across 2 separate chromatography methods (C18 hydrophobic reversed-phase chromatography and hydrophilic-interaction liquid chromatography). For most of the 39 metabolites related to nutrition and health status, we found no statistically significant annual trends across the years of storage. Nicotine metabolites were captured in the DBS with relatively stable intensities. This study supports the usefulness of DBS stored long-term for epidemiologic studies of the metabolome. -Omics-based information gained from DBS may also provide a valuable tool for assessing prenatal environmental exposures in child health research.
MeSH term(s)	Pregnancy ; Child ; Infant, Newborn ; Female ; Humans ; Nicotine ; Chromatography, Liquid ; Metabolomics/methods ; Metabolome ; Epidemiologic Studies ; Dried Blood Spot Testing/methods
Chemical Substances	Nicotine (6M3C89ZY6R)
Language	English
Publishing date	2023-12-28
Publishing country	United States
Document type	Journal Article ; Research Support, N.I.H., Extramural ; Research Support, Non-U.S. Gov't
ZDB-ID	2937-3
ISSN	1476-6256 ; 0002-9262
ISSN (online)	1476-6256
ISSN	0002-9262
DOI	10.1093/aje/kwad122
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Article ; Online: Associations between metals and metabolomic profiles related to diabetes among adults in a rural region.

Debertin, Julia G / Holzhausen, Elizabeth A / Walker, Douglas I / Pacheco, Brismar Pinto / James, Katherine A / Alderete, Tanya L / Corlin, Laura

Environmental research

2023 Volume 243, Page(s) 117776

Abstract: Introduction: Exposure to metals is associated with increased risk of type 2 diabetes (T2D). Potential mechanisms for metals-T2D associations involve biological processes including oxidative stress and disruption of insulin-regulated glucose uptake. In ... ...

Abstract	Introduction: Exposure to metals is associated with increased risk of type 2 diabetes (T2D). Potential mechanisms for metals-T2D associations involve biological processes including oxidative stress and disruption of insulin-regulated glucose uptake. In this study, we assessed whether associations between metal exposure and metabolite profiles relate to biological pathways linked to T2D. Materials and methods: We used data from 29 adults rural Colorado residents enrolled in the San Luis Valley Diabetes Study. Urinary concentrations of arsenic, cadmium, cobalt, lead, manganese, and tungsten were measured. Metabolic effects were evaluated using untargeted metabolic profiling, which included 61,851 metabolite signals detected in serum. We evaluated cross-sectional associations between metals and metabolites present in at least 50% of samples. Primary analyses adjusted urinary heavy metal concentrations for creatinine. Metabolite outcomes associated with each metal exposure were evaluated using pathway enrichment to investigate potential mechanisms underlying the relationship between metals and T2D. Results: Participants had a mean age of 58.5 years (standard deviation = 9.2), 48.3% were female, 48.3% identified as Hispanic/Latino, 13.8% were current smokers, and 65.5% had T2D. Of the detected metabolites, 455 were associated with at least one metal, including 42 associated with arsenic, 22 with cadmium, 10 with cobalt, 313 with lead, 66 with manganese, and two with tungsten. The metabolic features were linked to 24 pathways including linoleate metabolism, butanoate metabolism, and arginine and proline metabolism. Several of these pathways have been previously associated with T2D, and our results were similar when including only participants with T2D. Conclusions: Our results support the hypothesis that metals exposure may be associated with biological processes related to T2D, including amino acid, co-enzyme, and sugar and fatty acid metabolism. Insight into biological pathways could influence interventions to prevent adverse health outcomes due to metal exposure.
MeSH term(s)	Adult ; Humans ; Female ; Middle Aged ; Male ; Diabetes Mellitus, Type 2/epidemiology ; Manganese ; Cadmium ; Arsenic/toxicity ; Tungsten ; Cross-Sectional Studies ; Metals, Heavy ; Cobalt
Chemical Substances	Manganese (42Z2K6ZL8P) ; Cadmium (00BH33GNGH) ; Arsenic (N712M78A8G) ; Tungsten (V9306CXO6G) ; Metals, Heavy ; Cobalt (3G0H8C9362)
Language	English
Publishing date	2023-12-02
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	205699-9
ISSN	1096-0953 ; 0013-9351
ISSN (online)	1096-0953
ISSN	0013-9351
DOI	10.1016/j.envres.2023.117776
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Article ; Online: Neonatal per- and polyfluoroalkyl substance exposure in relation to retinoblastoma.

Chen, Yixin / Paul, Kimberly C / Walker, Douglas I / Jones, Dean P / Wang, Xuexia / Ritz, Beate R / Heck, Julia E

Environmental research

2023 Volume 240, Issue Pt 2, Page(s) 117435

Abstract: Background: Neonatal per- and polyfluoroalkyl substance (PFAS) exposure can disrupt hormonal homeostasis and induce neuro- and immunotoxicity in children. In this exploratory study, we investigated associations between PFAS levels in neonatal dried ... ...

Abstract	Background: Neonatal per- and polyfluoroalkyl substance (PFAS) exposure can disrupt hormonal homeostasis and induce neuro- and immunotoxicity in children. In this exploratory study, we investigated associations between PFAS levels in neonatal dried blood spots and retinoblastoma risk. Materials and methods: This study included 501 retinoblastoma cases born from 1983 to 2011 and 899 controls frequency-matched by birth year (20:1 matching ratio), born to 755 US-born and 366 Mexico-born mothers in California. Perfluorooctanesulfonic acid (PFOS), perflurooctanoic acid (PFOA), and perfluorononanoic acid (PFNA) feature intensities were identified from neonatal blood spots from California newborn Genetic Disease Screening Program. Using logistic regression, we assessed whether an interquartile range (IQR) increase of PFAS levels or having above-mean levels of PFAS in blood affects retinoblastoma risk overall or its subtypes (i.e., unilateral, bilateral). We assessed children of US-born and Mexico-born mothers, separately. Results and discussion: Among all children, above-mean PFOS levels at birth increased the odds of retinoblastoma overall by 29% (95% Confidence Interval (CI): 1.00, 1.67) and unilateral retinoblastoma by 42% (95% CI: 1.03, 1.97). For children of Mexico-born mothers, we estimated the highest odds of retinoblastoma overall (adjusted odds ratio (aOR): 1.67; 95% CI: 1.06, 2.66) and bilateral retinoblastoma (aOR: 2.06; 95% CI: 1.12, 3.92) with above-mean PFOS levels. Among children of US-born mothers, higher PFOS levels increased the odds of unilateral retinoblastoma by 15% (95% CI: 0.99, 1.35) for each IQR increase and by 71% among children with above-mean PFOS levels (95% CI: 1.04, 2.90). In addition, for children of US-born mothers, PFOA increased the odds of retinoblastoma overall (aOR: 1.41; 95% CI: 1.00, 2.02 for above-mean levels, aOR: 1.06; 95% CI: 0.98, 1.16 per IQR increase). PFNA was not associated with retinoblastoma risk. Conclusions: Our results suggested that PFOS and PFOA might contribute to retinoblastoma risk in children born in California.
MeSH term(s)	Infant, Newborn ; Child ; Humans ; Retinoblastoma/chemically induced ; Retinoblastoma/epidemiology ; Fluorocarbons/toxicity ; Retinal Neoplasms/chemically induced ; Retinal Neoplasms/epidemiology
Chemical Substances	perfluoro-n-nonanoic acid (375-95-1) ; perfluorooctane sulfonic acid (9H2MAI21CL) ; Fluorocarbons
Language	English
Publishing date	2023-10-20
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	205699-9
ISSN	1096-0953 ; 0013-9351
ISSN (online)	1096-0953
ISSN	0013-9351
DOI	10.1016/j.envres.2023.117435
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Article ; Online: A prediction model for classifying maternal pregnancy smoking using California state birth certificate information.

He, Di / Huang, Xiwen / Arah, Onyebuchi A / Walker, Douglas I / Jones, Dean P / Ritz, Beate / Heck, Julia E

Paediatric and perinatal epidemiology

2023 Volume 38, Issue 2, Page(s) 102–110

Abstract: Background: Systematically recorded smoking data are not always available in vital statistics records, and even when available it can underestimate true smoking rates.: Objective: To develop a prediction model for maternal tobacco smoking in late ... ...

Abstract	Background: Systematically recorded smoking data are not always available in vital statistics records, and even when available it can underestimate true smoking rates. Objective: To develop a prediction model for maternal tobacco smoking in late pregnancy based on birth certificate information using a combination of self- or provider-reported smoking and biomarkers (smoking metabolites) in neonatal blood spots as the alloyed gold standard. Methods: We designed a case-control study where childhood cancer cases were identified from the California Cancer Registry and controls were from the California birth rolls between 1983 and 2011 who were cancer-free by the age of six. In this analysis, we included 894 control participants and performed high-resolution metabolomics analyses in their neonatal dried blood spots, where we extracted cotinine [mass-to-charge ratio (m/z) = 177.1023] and hydroxycotinine (m/z = 193.0973). Potential predictors of smoking were selected from California birth certificates. Logistic regression with stepwise backward selection was used to build a prediction model. Model performance was evaluated in a training sample, a bootstrapped sample, and an external validation sample. Results: Out of seven predictor variables entered into the logistic model, five were selected by the stepwise procedure: maternal race/ethnicity, maternal education, child's birth year, parity, and child's birth weight. We calculated an overall discrimination accuracy of 0.72 and an area under the receiver operating characteristic curve (AUC) of 0.81 (95% confidence interval [CI] 0.77, 0.84) in the training set. Similar accuracies were achieved in the internal (AUC 0.81, 95% CI 0.77, 0.84) and external (AUC 0.69, 95% CI 0.64, 0.74) validation sets. Conclusions: This easy-to-apply model may benefit future birth registry-based studies when there is missing maternal smoking information; however, some smoking status misclassification remains a concern when only variables from the birth certificate are used to predict maternal smoking.
MeSH term(s)	Child ; Female ; Humans ; Infant, Newborn ; Pregnancy ; Birth Certificates ; California/epidemiology ; Case-Control Studies ; Neoplasms ; Smoking/epidemiology ; Tobacco Smoking ; Models, Statistical
Language	English
Publishing date	2023-11-15
Publishing country	England
Document type	Journal Article
ZDB-ID	639089-4
ISSN	1365-3016 ; 0269-5022 ; 1353-663X
ISSN (online)	1365-3016
ISSN	0269-5022 ; 1353-663X
DOI	10.1111/ppe.13021
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