Literature DB >> 30516957

Consensus Modeling of Median Chemical Intake for the U.S. Population Based on Predictions of Exposure Pathways.

Caroline L Ring1,2, Jon A Arnot3,4,5, Deborah H Bennett6, Peter P Egeghy7, Peter Fantke8, Lei Huang9, Kristin K Isaacs7, Olivier Jolliet9, Katherine A Phillips7, Paul S Price7, Hyeong-Moo Shin10, John N Westgate3, R Woodrow Setzer1, John F Wambaugh1.   

Abstract

Prioritizing the potential risk posed to human health by chemicals requires tools that can estimate exposure from limited information. In this study, chemical structure and physicochemical properties were used to predict the probability that a chemical might be associated with any of four exposure pathways leading from sources-consumer (near-field), dietary, far-field industrial, and far-field pesticide-to the general population. The balanced accuracies of these source-based exposure pathway models range from 73 to 81%, with the error rate for identifying positive chemicals ranging from 17 to 36%. We then used exposure pathways to organize predictions from 13 different exposure models as well as other predictors of human intake rates. We created a consensus, meta-model using the Systematic Empirical Evaluation of Models framework in which the predictors of exposure were combined by pathway and weighted according to predictive ability for chemical intake rates inferred from human biomonitoring data for 114 chemicals. The consensus model yields an R2 of ∼0.8. We extrapolate to predict relevant pathway(s), median intake rate, and credible interval for 479 926 chemicals, mostly with minimal exposure information. This approach identifies 1880 chemicals for which the median population intake rates may exceed 0.1 mg/kg bodyweight/day, while there is 95% confidence that the median intake rate is below 1 μg/kg BW/day for 474572 compounds.

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Year:  2018        PMID: 30516957      PMCID: PMC6690061          DOI: 10.1021/acs.est.8b04056

Source DB:  PubMed          Journal:  Environ Sci Technol        ISSN: 0013-936X            Impact factor:   9.028


  63 in total

1.  Meeting-in-the-middle using metabolic profiling - a strategy for the identification of intermediate biomarkers in cohort studies.

Authors:  Marc Chadeau-Hyam; Toby J Athersuch; Hector C Keun; Maria De Iorio; Timothy M D Ebbels; Mazda Jenab; Carlotta Sacerdote; Stephen J Bruce; Elaine Holmes; Paolo Vineis
Journal:  Biomarkers       Date:  2010-11-29       Impact factor: 2.658

2.  New publicly available chemical query language, CSRML, to support chemotype representations for application to data mining and modeling.

Authors:  Chihae Yang; Aleksey Tarkhov; Jörg Marusczyk; Bruno Bienfait; Johann Gasteiger; Thomas Kleinoeder; Tomasz Magdziarz; Oliver Sacher; Christof H Schwab; Johannes Schwoebel; Lothar Terfloth; Kirk Arvidson; Ann Richard; Andrew Worth; James Rathman
Journal:  J Chem Inf Model       Date:  2015-02-19       Impact factor: 4.956

3.  Distributed structure-searchable toxicity (DSSTox) public database network: a proposal.

Authors:  Ann M Richard; ClarLynda R Williams
Journal:  Mutat Res       Date:  2002-01-29       Impact factor: 2.433

4.  Toxicokinetic Triage for Environmental Chemicals.

Authors:  John F Wambaugh; Barbara A Wetmore; Robert Pearce; Cory Strope; Rocky Goldsmith; James P Sluka; Alexander Sedykh; Alex Tropsha; Sieto Bosgra; Imran Shah; Richard Judson; Russell S Thomas; R Woodrow Setzer
Journal:  Toxicol Sci       Date:  2015-06-16       Impact factor: 4.849

5.  High-throughput screening of chemicals as functional substitutes using structure-based classification models.

Authors:  Katherine A Phillips; John F Wambaugh; Christopher M Grulke; Kathie L Dionisio; Kristin K Isaacs
Journal:  Green Chem       Date:  2017       Impact factor: 10.182

6.  Identifying populations sensitive to environmental chemicals by simulating toxicokinetic variability.

Authors:  Caroline L Ring; Robert G Pearce; R Woodrow Setzer; Barbara A Wetmore; John F Wambaugh
Journal:  Environ Int       Date:  2017-06-16       Impact factor: 9.621

7.  High-performance metabolic profiling of plasma from seven mammalian species for simultaneous environmental chemical surveillance and bioeffect monitoring.

Authors:  Youngja H Park; Kichun Lee; Quinlyn A Soltow; Frederick H Strobel; Kenneth L Brigham; Richard E Parker; Mark E Wilson; Roy L Sutliff; Keith G Mansfield; Lynn M Wachtman; Thomas R Ziegler; Dean P Jones
Journal:  Toxicology       Date:  2012-03-01       Impact factor: 4.221

8.  High-throughput migration modelling for estimating exposure to chemicals in food packaging in screening and prioritization tools.

Authors:  Alexi S Ernstoff; Peter Fantke; Lei Huang; Olivier Jolliet
Journal:  Food Chem Toxicol       Date:  2017-09-20       Impact factor: 6.023

9.  Biologically relevant exposure science for 21st century toxicity testing.

Authors:  Elaine A Cohen Hubal
Journal:  Toxicol Sci       Date:  2009-07-14       Impact factor: 4.849

10.  Providing the missing link: the exposure science ontology ExO.

Authors:  Carolyn J Mattingly; Thomas E McKone; Michael A Callahan; Judith A Blake; Elaine A Cohen Hubal
Journal:  Environ Sci Technol       Date:  2012-03-12       Impact factor: 9.028

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  30 in total

1.  The Next Generation Blueprint of Computational Toxicology at the U.S. Environmental Protection Agency.

Authors:  Russell S Thomas; Tina Bahadori; Timothy J Buckley; John Cowden; Chad Deisenroth; Kathie L Dionisio; Jeffrey B Frithsen; Christopher M Grulke; Maureen R Gwinn; Joshua A Harrill; Mark Higuchi; Keith A Houck; Michael F Hughes; E Sidney Hunter; Kristin K Isaacs; Richard S Judson; Thomas B Knudsen; Jason C Lambert; Monica Linnenbrink; Todd M Martin; Seth R Newton; Stephanie Padilla; Grace Patlewicz; Katie Paul-Friedman; Katherine A Phillips; Ann M Richard; Reeder Sams; Timothy J Shafer; R Woodrow Setzer; Imran Shah; Jane E Simmons; Steven O Simmons; Amar Singh; Jon R Sobus; Mark Strynar; Adam Swank; Rogelio Tornero-Valez; Elin M Ulrich; Daniel L Villeneuve; John F Wambaugh; Barbara A Wetmore; Antony J Williams
Journal:  Toxicol Sci       Date:  2019-06-01       Impact factor: 4.849

2.  A Bayesian Method for Population-wide Cardiotoxicity Hazard and Risk Characterization Using an In Vitro Human Model.

Authors:  Alexander D Blanchette; Sarah D Burnett; Fabian A Grimm; Ivan Rusyn; Weihsueh A Chiu
Journal:  Toxicol Sci       Date:  2020-12-01       Impact factor: 4.849

3.  Assessing Toxicokinetic Uncertainty and Variability in Risk Prioritization.

Authors:  John F Wambaugh; Barbara A Wetmore; Caroline L Ring; Chantel I Nicolas; Robert G Pearce; Gregory S Honda; Roger Dinallo; Derek Angus; Jon Gilbert; Teresa Sierra; Akshay Badrinarayanan; Bradley Snodgrass; Adam Brockman; Chris Strock; R Woodrow Setzer; Russell S Thomas
Journal:  Toxicol Sci       Date:  2019-12-01       Impact factor: 4.849

4.  Residential proximity to greenhouse agriculture and neurobehavioral performance in Ecuadorian children.

Authors:  Elizabeth Friedman; Marnie F Hazlehurst; Christine Loftus; Catherine Karr; Kelsey N McDonald; Jose Ricardo Suarez-Lopez
Journal:  Int J Hyg Environ Health       Date:  2019-10-10       Impact factor: 5.840

5.  Environmental mixtures and breast cancer: identifying co-exposure patterns between understudied vs breast cancer-associated chemicals using chemical inventory informatics.

Authors:  Lauren E Koval; Kathie L Dionisio; Katie Paul Friedman; Kristin K Isaacs; Julia E Rager
Journal:  J Expo Sci Environ Epidemiol       Date:  2022-06-16       Impact factor: 5.563

6.  Estimation of the Emission Characteristics of SVOCs from Household Articles Using Group Contribution Methods.

Authors:  Cody K Addington; Katherine A Phillips; Kristin K Isaacs
Journal:  Environ Sci Technol       Date:  2019-12-26       Impact factor: 9.028

7.  Utility of In Vitro Bioactivity as a Lower Bound Estimate of In Vivo Adverse Effect Levels and in Risk-Based Prioritization.

Authors:  Katie Paul Friedman; Matthew Gagne; Lit-Hsin Loo; Panagiotis Karamertzanis; Tatiana Netzeva; Tomasz Sobanski; Jill A Franzosa; Ann M Richard; Ryan R Lougee; Andrea Gissi; Jia-Ying Joey Lee; Michelle Angrish; Jean Lou Dorne; Stiven Foster; Kathleen Raffaele; Tina Bahadori; Maureen R Gwinn; Jason Lambert; Maurice Whelan; Mike Rasenberg; Tara Barton-Maclaren; Russell S Thomas
Journal:  Toxicol Sci       Date:  2020-01-01       Impact factor: 4.849

8.  Designing QSARs for Parameters of High-Throughput Toxicokinetic Models Using Open-Source Descriptors.

Authors:  Daniel E Dawson; Brandall L Ingle; Katherine A Phillips; John W Nichols; John F Wambaugh; Rogelio Tornero-Velez
Journal:  Environ Sci Technol       Date:  2021-04-15       Impact factor: 9.028

Review 9.  Assessing Human Exposure to SVOCs in Materials, Products, and Articles: A Modular Mechanistic Framework.

Authors:  Clara M A Eichler; Elaine A Cohen Hubal; Ying Xu; Jianping Cao; Chenyang Bi; Charles J Weschler; Tunga Salthammer; Glenn C Morrison; Antti Joonas Koivisto; Yinping Zhang; Corinne Mandin; Wenjuan Wei; Patrice Blondeau; Dustin Poppendieck; Xiaoyu Liu; Christiaan J E Delmaar; Peter Fantke; Olivier Jolliet; Hyeong-Moo Shin; Miriam L Diamond; Manabu Shiraiwa; Andreas Zuend; Philip K Hopke; Natalie von Goetz; Markku Kulmala; John C Little
Journal:  Environ Sci Technol       Date:  2020-12-15       Impact factor: 9.028

10.  Exposure and Toxicity Characterization of Chemical Emissions and Chemicals in Products: Global Recommendations and Implementation in USEtox.

Authors:  Peter Fantke; Weihsueh A Chiu; Lesa Aylward; Richard Judson; Lei Huang; Suji Jang; Todd Gouin; Lorenz Rhomberg; Nicolò Aurisano; Thomas McKone; Olivier Jolliet
Journal:  Int J Life Cycle Assess       Date:  2021-04-05       Impact factor: 4.141

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