4.8 Article

Per- and Polyfluoroalkyl Substances (PFAS) in PubChem: 7 Million and Growing

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Multidisciplinary

The complex 'PFAS world'-How recent discoveries and novel screening tools reinforce existing concerns

Hanna Joerss et al.

Summary: Recent studies using high-resolution mass spectrometry (HRMS) have revealed the complexity of the 'PFAS world' with thousands of known per- and polyfluoroalkyl substances (PFAS). Major breakthroughs have been made by exploring previously uncharted PFAS sources or transformation pathways and combining HRMS with other analytical methods. Advances in analysis and data treatment have identified blind spots and provided extensive suspect screening lists and evaluation approaches. Research plays a vital role in making HRMS widely applicable and in transitioning society towards a new way of regulating, monitoring, and managing PFAS, with ongoing discussions supporting a grouping of PFAS.

CURRENT OPINION IN GREEN AND SUSTAINABLE CHEMISTRY (2023)

Editorial Material Engineering, Environmental

Avoiding the Next Silent Spring: Our Chemical Past, Present, and Future

Hans Peter H. Arp et al.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2023)

Article Biochemistry & Molecular Biology

PubChem 2023 update

Sunghwan Kim et al.

Summary: PubChem, a popular chemical information resource, has undergone several changes and improvements. It has added data from over 120 sources and introduced new functionalities, including the integration of Google Patents data, creation of Cell Line and Taxonomy data collections, and updates to the bioassay data model.

NUCLEIC ACIDS RESEARCH (2023)

Article Environmental Sciences

Efficacy of activated carbon filtration and ozonation to remove persistent and mobile substances-A case study in two wastewater treatment plants

Isabelle J. Neuwald et al.

Summary: This article investigates the occurrence and behavior of persistent and mobile (PM) substances in wastewater treatment plants, and finds that ozonation and sand/anthracite filtration can effectively reduce the concentration of PM substances.

SCIENCE OF THE TOTAL ENVIRONMENT (2023)

Review Engineering, Environmental

The Next Frontier of Environmental Unknowns: Substances of Unknown or Variable Composition, Complex Reaction Products, or Biological Materials (UVCBs)

Adelene Lai et al.

Summary: Substances of unknown or variable composition, complex reaction products, or biological materials (UVCBs) are complex chemical mixtures produced and used worldwide. Applying chemical assessments to UVCBs is challenging due to their unknown or variable composition. New approaches for UVCB assessment are being developed in various fields, but there are information gaps and fragmented practices. Improved data collection and management, as well as concerted efforts from stakeholders, are needed for proper assessment and management of UVCBs.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2022)

Article Environmental Sciences

Assembly and Curation of Lists of Per- and Polyfluoroalkyl Substances (PFAS) to Support Environmental Science Research

Antony J. Williams et al.

Summary: Per- and polyfluoroalkyl substances (PFAS) are man-made chemicals that have raised global concerns due to their widespread use and potential health and environmental risks. This article discusses the challenges in defining PFAS and the efforts made to curate and assemble lists of PFAS chemicals. These lists, made accessible to the community through the EPA's CompTox Chemicals Dashboard, are valuable resources for PFAS research and have supported regulatory actions.

FRONTIERS IN ENVIRONMENTAL SCIENCE (2022)

Article Environmental Sciences

The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

Hiba Mohammed Taha et al.

Summary: The NORMAN Suspect List Exchange (NORMAN-SLE) is a global chemical information resource that hosts valuable suspect screening lists for the environmental community. It contains 99 separate lists from over 70 contributors, totaling over 100,000 unique substances. The NORMAN-SLE allows integration with other major chemical resources, fostering the exchange of information and supporting the paradigm shift to a one substance, one assessment approach.

ENVIRONMENTAL SCIENCES EUROPE (2022)

Article Environmental Sciences

Identification and classification of commercially relevant per- and poly-fluoroalkyl substances (PFAS)

Robert C. Buck et al.

Summary: PFAS are a diverse group of fluorinated organic substances with unique properties, but only a small portion of them are commercially relevant globally. Grouping and categorizing PFAS based on fundamental criteria can help identify appropriate substances for risk assessment.

INTEGRATED ENVIRONMENTAL ASSESSMENT AND MANAGEMENT (2021)

Letter Chemistry, Multidisciplinary

FAIR chemical structures in the Journal of Cheminformatics

Emma L. Schymanski et al.

Summary: The ability to access chemical information openly is crucial for many scientific disciplines, and the Journal of Cheminformatics is at the forefront of promoting rigorous, open cheminformatics. However, there is still room for improvement. This letter discusses ways in which both authors and the journal can enhance the FAIRness of chemical structural information, including proposing a chemical structure template as an interoperable Additional File format.

JOURNAL OF CHEMINFORMATICS (2021)

Review Chemistry, Multidisciplinary

Contribution of Organofluorine Compounds to Pharmaceuticals

Munenori Inoue et al.

ACS OMEGA (2020)

Article Multidisciplinary Sciences

Current Contributions of Organofluorine Compounds to the Agrochemical Industry

Yuta Ogawa et al.

ISCIENCE (2020)

Article Chemistry, Analytical

An overview of the uses of per- and polyfluoroalkyl substances (PFAS)

Juliane Gluege et al.

ENVIRONMENTAL SCIENCE-PROCESSES & IMPACTS (2020)

Review Chemistry, Analytical

The high persistence of PFAS is sufficient for their management as a chemical class

Ian T. Cousins et al.

ENVIRONMENTAL SCIENCE-PROCESSES & IMPACTS (2020)

Review Chemistry, Analytical

Strategies for grouping per- and polyfluoroalkyl substances (PFAS) to protect human and environmental health

Ian T. Cousins et al.

ENVIRONMENTAL SCIENCE-PROCESSES & IMPACTS (2020)

Article Chemistry, Analytical

Exploring open cheminformatics approaches for categorizing per- and polyfluoroalkyl substances (PFASs)

Bo Sha et al.

ENVIRONMENTAL SCIENCE-PROCESSES & IMPACTS (2019)

Article Biochemistry & Molecular Biology

An update on PUG-REST: RESTful interface for programmatic access to PubChem

Sunghwan Kim et al.

NUCLEIC ACIDS RESEARCH (2018)

Article Chemistry, Multidisciplinary

PubChem chemical structure standardization

Volker D. Hahnke et al.

JOURNAL OF CHEMINFORMATICS (2018)

Article Engineering, Environmental

Nontarget Screening with High Resolution Mass Spectrometry in the Environment: Ready to Go?

Juliane Hollender et al.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2017)

Article Chemistry, Multidisciplinary

The CompTox Chemistry Dashboard: a community data resource for environmental chemistry

Antony J. Williams et al.

JOURNAL OF CHEMINFORMATICS (2017)

Article Chemistry, Multidisciplinary

MetFrag relaunched: incorporating strategies beyond in silico fragmentation

Christoph Ruttkies et al.

JOURNAL OF CHEMINFORMATICS (2016)

Review Chemistry, Multidisciplinary

InChI - the worldwide chemical structure identifier standard

Stephen Heller et al.

JOURNAL OF CHEMINFORMATICS (2013)

Article Environmental Sciences

Perfluoroalkyl and polyfluoroalkyl substances in the environment: Terminology, classification, and origins

Robert C Buck et al.

Integrated Environmental Assessment and Management (2011)

Article Chemistry, Medicinal

Computation of octanol-water partition coefficients by guiding an additive model with knowledge

Tiejun Cheng et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2007)