Assessing the Application of Physiologically Based Pharmacokinetic Models in Acute Chemical Incidents
Chemical release incidents in the United States involve hazardous chemicals that can harm nearby communities. A historical tracking of these chemical release incidents from 1991 to 2014 across up to 16 states has been conducted by The Agency for Toxic Substances and Disease Registry (ATSDR), utilizi...
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MDPI AG
2025-03-01
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| Online Access: | https://www.mdpi.com/2039-4713/15/2/42 |
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| author | Sydney Boone Wenjie Sun Pavani Gonnabathula Jennifer Wu Maureen F. Orr M. Moiz Mumtaz Patricia Ruiz |
| author_facet | Sydney Boone Wenjie Sun Pavani Gonnabathula Jennifer Wu Maureen F. Orr M. Moiz Mumtaz Patricia Ruiz |
| author_sort | Sydney Boone |
| collection | DOAJ |
| description | Chemical release incidents in the United States involve hazardous chemicals that can harm nearby communities. A historical tracking of these chemical release incidents from 1991 to 2014 across up to 16 states has been conducted by The Agency for Toxic Substances and Disease Registry (ATSDR), utilizing the Hazardous Substances Emergency Events Surveillance (HSEES) and the National Toxic Substance Incidents Program (NTSIP) systems. By analyzing surveillance data, patterns of these different chemical releases can be identified to develop and construct a health-protective course of action. Physiologically Based Pharmacokinetic (PBPK) models can simulate chemical exposures during acute chemical incidents. For a retrospective study of an acute chemical release in 2012, we examined the components necessary to integrate PBPK-modeled exposure assessments in ATSDR’s Assessment of Chemical Exposure (ACE) program. We focused on data from a published investigation of vinyl chloride (VC) exposure to assess the utility of PBPK in evaluating exposures among residential populations near the release site. The initial estimate from the real-time air monitoring at the release site revealed that air levels greatly exceeded the Acute Exposure Guideline Levels (AEGL) of 1200 ppm, with PBPK models predicting corresponding VC blood levels of 3.17 mg/L. “Real-time” and “after-action” air modeling estimated VC levels at various distances from the release site over time. PBPK modeling provided insight into possible residential blood levels of VC over several days following the incident. These findings indicate that PBPK modeling could be valuable for reconstructing exposure scenarios associated with acute chemical releases. |
| format | Article |
| id | doaj-art-e9a8787b31f741ec846050dd5fda2f99 |
| institution | OA Journals |
| issn | 2039-4705 2039-4713 |
| language | English |
| publishDate | 2025-03-01 |
| publisher | MDPI AG |
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| series | Journal of Xenobiotics |
| spelling | doaj-art-e9a8787b31f741ec846050dd5fda2f992025-08-20T02:28:31ZengMDPI AGJournal of Xenobiotics2039-47052039-47132025-03-011524210.3390/jox15020042Assessing the Application of Physiologically Based Pharmacokinetic Models in Acute Chemical IncidentsSydney Boone0Wenjie Sun1Pavani Gonnabathula2Jennifer Wu3Maureen F. Orr4M. Moiz Mumtaz5Patricia Ruiz6Oak Ridge Institute for Science and Education (ORISE), Oak Ridge Associated Universities (ORAU), Oak Ridge, TN 37830, USAOffice of Innovation and Analytics, Simulation Science Section, Agency for Toxic Substances and Disease Registry (ATSDR), Centers for Disease Control and Prevention (CDC), Atlanta, GA 30329, USAOak Ridge Institute for Science and Education (ORISE), Oak Ridge Associated Universities (ORAU), Oak Ridge, TN 37830, USAOffice of Innovation and Analytics, Registries and Surveillance Section, Agency for Toxic Substances and Disease Registry (ATSDR), Centers for Disease Control and Prevention (CDC), Atlanta, GA 30329, USAOffice of Innovation and Analytics, Registries and Surveillance Section, Agency for Toxic Substances and Disease Registry (ATSDR), Centers for Disease Control and Prevention (CDC), Atlanta, GA 30329, USAOffice of Associate Director for Science, Agency for Toxic Substances and Disease Registry (ATSDR), Centers for Disease Control and Prevention (CDC), Atlanta, GA 30329, USAOffice of Innovation and Analytics, Simulation Science Section, Agency for Toxic Substances and Disease Registry (ATSDR), Centers for Disease Control and Prevention (CDC), Atlanta, GA 30329, USAChemical release incidents in the United States involve hazardous chemicals that can harm nearby communities. A historical tracking of these chemical release incidents from 1991 to 2014 across up to 16 states has been conducted by The Agency for Toxic Substances and Disease Registry (ATSDR), utilizing the Hazardous Substances Emergency Events Surveillance (HSEES) and the National Toxic Substance Incidents Program (NTSIP) systems. By analyzing surveillance data, patterns of these different chemical releases can be identified to develop and construct a health-protective course of action. Physiologically Based Pharmacokinetic (PBPK) models can simulate chemical exposures during acute chemical incidents. For a retrospective study of an acute chemical release in 2012, we examined the components necessary to integrate PBPK-modeled exposure assessments in ATSDR’s Assessment of Chemical Exposure (ACE) program. We focused on data from a published investigation of vinyl chloride (VC) exposure to assess the utility of PBPK in evaluating exposures among residential populations near the release site. The initial estimate from the real-time air monitoring at the release site revealed that air levels greatly exceeded the Acute Exposure Guideline Levels (AEGL) of 1200 ppm, with PBPK models predicting corresponding VC blood levels of 3.17 mg/L. “Real-time” and “after-action” air modeling estimated VC levels at various distances from the release site over time. PBPK modeling provided insight into possible residential blood levels of VC over several days following the incident. These findings indicate that PBPK modeling could be valuable for reconstructing exposure scenarios associated with acute chemical releases.https://www.mdpi.com/2039-4713/15/2/42physiologically based pharmacokineticsPBPKtoxicokineticsacute chemical incidentsvinyl chloridechemical exposures |
| spellingShingle | Sydney Boone Wenjie Sun Pavani Gonnabathula Jennifer Wu Maureen F. Orr M. Moiz Mumtaz Patricia Ruiz Assessing the Application of Physiologically Based Pharmacokinetic Models in Acute Chemical Incidents Journal of Xenobiotics physiologically based pharmacokinetics PBPK toxicokinetics acute chemical incidents vinyl chloride chemical exposures |
| title | Assessing the Application of Physiologically Based Pharmacokinetic Models in Acute Chemical Incidents |
| title_full | Assessing the Application of Physiologically Based Pharmacokinetic Models in Acute Chemical Incidents |
| title_fullStr | Assessing the Application of Physiologically Based Pharmacokinetic Models in Acute Chemical Incidents |
| title_full_unstemmed | Assessing the Application of Physiologically Based Pharmacokinetic Models in Acute Chemical Incidents |
| title_short | Assessing the Application of Physiologically Based Pharmacokinetic Models in Acute Chemical Incidents |
| title_sort | assessing the application of physiologically based pharmacokinetic models in acute chemical incidents |
| topic | physiologically based pharmacokinetics PBPK toxicokinetics acute chemical incidents vinyl chloride chemical exposures |
| url | https://www.mdpi.com/2039-4713/15/2/42 |
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