A New OECD Definition for Per- and Polyfluoroalkyl Substances

Wang, Zhanyun; Buser, Andreas; Cousins, Ian T.; Demattio, Silvia; Drost, Wiebke; Johansson, Olof; Ohno, Koichi; Patlewicz, Grace; Richard, Ann M.; Walker, Glen W; White, Graham S; Leinala, Eeva

doi:10.1021/acs.est.1c06896

Cited by 198 publications

(131 citation statements)

References 2 publications

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“…Although it might be quite surprising, a universally accepted definition of PFAS is still lacking. This is due to the fact that PFAS definition is constantly evolving based on the scope, application and criteria adopted by different studies conducted on this broad category of substances [49]. From an historical perspective, a first classification was proposed around 2011 by Buck and coworkers in a seminal paper wherein PFAS were defined as "the highly fluorinated aliphatic substances that contain 1 or more C atoms on which all the H substituents have been replaced by F atoms, in such a manner that they contain the perfluoroalkyl moiety C n F 2n+1 -" [1].…”

Section: Pfas Properties Uses Sources and Their Distribution Into The...mentioning

confidence: 99%

PFAS Molecules: A Major Concern for the Human Health and the Environment

Panieri

Baralić

Đukić-Ćosić

et al. 2022

Toxics

167

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Per- and polyfluoroalkyl substances (PFAS) are a group of over 4700 heterogeneous compounds with amphipathic properties and exceptional stability to chemical and thermal degradation. The unique properties of PFAS compounds has been exploited for almost 60 years and has largely contributed to their wide applicability over a vast range of industrial, professional and non-professional uses. However, increasing evidence indicate that these compounds represent also a serious concern for both wildlife and human health as a result of their ubiquitous distribution, their extreme persistence and their bioaccumulative potential. In light of the adverse effects that have been already documented in biota and human populations or that might occur in absence of prompt interventions, the competent authorities in matter of health and environment protection, the industries as well as scientists are cooperating to identify the most appropriate regulatory measures, substitution plans and remediation technologies to mitigate PFAS impacts. In this review, starting from PFAS chemistry, uses and environmental fate, we summarize the current knowledge on PFAS occurrence in different environmental media and their effects on living organisms, with a particular emphasis on humans. Also, we describe present and provisional legislative measures in the European Union framework strategy to regulate PFAS manufacture, import and use as well as some of the most promising treatment technologies designed to remediate PFAS contamination in different environmental compartments.

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Section: Pfas Properties Uses Sources and Their Distribution Into The...mentioning

confidence: 99%

PFAS Molecules: A Major Concern for the Human Health and the Environment

Panieri

Baralić

Đukić-Ćosić

et al. 2022

Toxics

167

View full text Add to dashboard Cite

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“…For this group of compounds, the definitions offer different and often conflicting views of what is and is not “PFAS”. The framework we used is consistent with the systematic approach described in the OECD report ( OECD, 2021 ) that provides practical guidance on characterizing PFAS based on molecular structure, and is similarly in line with the strategies described by ( Wang et al, 2021 ) to facilitate unambiguous communication around PFAS. The cited examples serve to illustrate why PFAS definitions must be clear and that seemingly straightforward language—e.g., “fully fluorinated carbon”— can have multiple interpretations.…”

Section: Discussionmentioning

confidence: 86%

Implications of PFAS definitions using fluorinated pharmaceuticals

Pennoyer¹,

Webster²,

Gurney³

et al. 2022

iScience

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“…Since various definitions of PFAS exist with varying degrees of complexities, three different structural definitions of PFAS have been considered in the current work, clarified below and shown in Figure 1: Definition A: Each compound that contains a CF 2 group is considered a PFAS. This definition has been proposed recently by the OECD 12,13 . This definition will lead to a large amount of chemicals that are considered to be PFAS.…”

Section: Introductionmentioning

confidence: 99%

Extracting and Comparing PFAS from Literature and Patent Documents using Open Access Chemistry Toolkits

Barnabas¹,

Böhme²,

Boyer³

et al. 2022

Preprint

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The extraction of chemical information from documents is a demanding task in cheminformatics due to the variety of text and image-based representations of chemistry. The present work describes the extraction of chemical compounds with unique chemical structures from the open access CORE (COnnecting REpositories) and Google Patents full text document repositories. The importance of structure normalization is demonstrated using three open access cheminformatics toolkits: CDK, RDKit and OpenChemLib. Each toolkit was used for structure parsing, normalization and subsequent substructure searching, using SMILES as structure representations of chemical molecules. Per- and polyfluoroalkyl substances (PFAS) were chosen as a case study to perform the substructure search, due to their high environmental relevance, their presence in both literature and patent corpuses, and the current lack of community consensus on their definition. Three different structural definitions of PFAS were chosen to highlight the implications of various definitions from a cheminformatics perspective. Since CDK, RDKit and OpenChemLib implement different criteria and methods for SMILES parsing and normalization, different numbers of parsed compounds were extracted, which were then evaluated using the three PFAS definitions. A comparison of these toolkits and definitions is provided, along with a discussion of the implications for PFAS screening and text mining efforts in cheminformatics. Finally, the extracted PFAS (~1.7 M PFAS from patents and ~27K from CORE) were compared against various existing PFAS lists and are provided in various formats for further community research efforts.

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A New OECD Definition for Per- and Polyfluoroalkyl Substances

Cited by 198 publications

References 2 publications

PFAS Molecules: A Major Concern for the Human Health and the Environment

PFAS Molecules: A Major Concern for the Human Health and the Environment

Implications of PFAS definitions using fluorinated pharmaceuticals

Extracting and Comparing PFAS from Literature and Patent Documents using Open Access Chemistry Toolkits

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