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Ecotoxicological screening of an e-liquid mixture using computational tools.

Andrey Massarsky1, Adam Bonin2, Yasemin Atalay3

  • 1Stantec Consulting Services, Inc., Irvine, CA, United States.

Environmental Toxicology and Chemistry
|February 8, 2025
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Summary

This study introduces a new framework to assess the ecological risks of e-liquids by screening their chemical ingredients for potential toxicity to aquatic life. The method helps identify high-risk chemicals in complex mixtures for targeted environmental impact assessments.

Keywords:
E-liquidEcological Structure Activity Relationships (ECOSAR)Exposure and Fate Assessment Screening Tool (E-FAST)environmental assessmentpremarket tobacco product application (PMTA)

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Area of Science:

  • Environmental Science
  • Ecotoxicology
  • Chemical Risk Assessment

Background:

  • Electronic nicotine delivery systems (ENDS) e-liquids contain various chemicals, necessitating environmental impact evaluations.
  • Regulatory bodies like the USFDA require environmental assessments for premarket tobacco product applications (PMTAs).
  • No prior studies have evaluated the ecotoxicological characteristics of e-liquid mixtures.

Purpose of the Study:

  • To develop and present a novel framework for screening complex e-liquid mixtures.
  • To identify e-liquid constituents with the highest potential ecological risk.
  • To enable targeted environmental impact assessments for ENDS products.

Main Methods:

  • Utilized the U.S. Environmental Protection Agency (USEPA) Ecological Structure Activity Relationships (ECOSAR) program to predict chemical toxicity.
  • Calculated relative toxicity of e-liquid ingredients based on toxicity thresholds and concentrations.
  • Employed the USEPA Exposure and Fate Assessment Screening Tool to evaluate the environmental fate of the most toxic chemicals.

Main Results:

  • Identified seven chemicals with the greatest toxicity from e-liquid mixtures.
  • Estimated environmental concentrations of these chemicals in surface water under hypothetical release scenarios.
  • Compared estimated concentrations with toxicological benchmarks to assess potential aquatic organism impacts.

Conclusions:

  • The developed framework is a robust, high-throughput method for screening complex chemical mixtures.
  • This approach facilitates the identification of chemicals of greatest ecological concern.
  • Enables targeted environmental risk assessments for products like e-liquids, supporting regulatory compliance.