Issue 5, 2022

Development of a PFAS reaction library: identifying plausible transformation pathways in environmental and biological systems

Abstract

Perfluoroalkyl and polyfluoroalkyl substances (PFAS) are used in many consumer applications due to their stain repellency, surfactant properties, ability to form water-proof coatings and use in fire suppression. The production, application, transport, use and disposal of PFAS and PFAS-treated products have resulted in their wide-spread occurrence in environmental and biological systems. Concern over exposure to PFAS and their transformation products and metabolites has necessitated the development of tools to predict the transformation of PFAS in environmental systems and metabolism in biological systems. We have developed reaction libraries for predicting transformation products and metabolites in a variety of environmental and biological reaction systems. These reaction libraries are based on generalized reaction schemes that encode the process science of PFAS reported in the peer-reviewed literature. The PFAS reaction libraries will be executed through the Chemical Transformation Simulator, a web-based tool that is available to the public. These reaction libraries are intended for predicting the environmental transformation and metabolism of PFAS only.

Graphical abstract: Development of a PFAS reaction library: identifying plausible transformation pathways in environmental and biological systems

Supplementary files

Article information

Article type
Paper
Submitted
25 oct. 2021
Accepted
17 mars 2022
First published
04 avr. 2022

Environ. Sci.: Processes Impacts, 2022,24, 689-753

Development of a PFAS reaction library: identifying plausible transformation pathways in environmental and biological systems

E. J. Weber, C. Tebes-Stevens, J. W. Washington and R. Gladstone, Environ. Sci.: Processes Impacts, 2022, 24, 689 DOI: 10.1039/D1EM00445J

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements