Understanding the atmospheric transformation mechanism of an emerging fluorinated alcohol (FESOH)

Article Environmental Sciences

Exposure routes, bioaccumulation and toxic effects of per- and polyfluoroalkyl substances (PFASs) on plants: A critical review

Jiuyi Li et al.

Summary: PFASs exhibit toxic effects on plants mainly at biochemical and molecular levels, leading to damage to plant cell structure and organelle functions. The accumulation and toxic effects of PFASs in plants have complexity and variability.

ENVIRONMENT INTERNATIONAL (2022)

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Article Engineering, Environmental

Atmospheric persistence and toxicity evolution for fluorinated biphenylethyne liquid crystal monomers unveiled by in silico methods

Yu Huang et al.

Summary: This study investigated the atmospheric fate of three fluorinated biphenylethyne LCMs through theoretical calculations, revealing dominant reaction pathways and transformation products. Some resulting products were found to exhibit higher aquatic toxicity than the parent compounds, indicating potential environmental risks. The calculated rate constants and atmospheric half-lives suggest atmospheric persistence and long-range transport of certain LCMs.

JOURNAL OF HAZARDOUS MATERIALS (2022)

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Article Engineering, Environmental

Atmospheric Fate of a New Polyfluoroalkyl Building Block, C3F7OCHFCF2SCH2CH2OH

Shira Joudan et al.

Summary: This study investigated the atmospheric fate of a new polyfluorinated alcohol FESOH and assessed its reaction kinetics and products with chlorine atoms and hydroxyl radicals. The results showed that FESOH has a gas-phase lifetime of approximately 2.8 days and produces aldehydes and other gas-phase products.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2022)

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Review Environmental Sciences

PFAS use in electronic products and exposure risks during handling and processing of e-waste: A review

Berrin Tansel

Summary: This review provides an overview of the use of poly- and perfluorinated alkyl substances (PFAS) in electronic products, trends in ewaste generation, PFAS exposure pathways during e-waste handling and processing, and the presence of PFAS in environmental and human samples collected near e-waste processing sites. The manufacturing processes of electronic components make recycling or materials recovery very difficult. Exposure to PFAS can occur through inhalation, ingestion, and dermal routes. However, it is challenging to directly associate adverse health effects from e-waste exposure with PFAS, as there are other contributing factors. Better monitoring and epidemiological studies are needed to assess the potential health risks of PFAS exposure at e-waste handling sites.

JOURNAL OF ENVIRONMENTAL MANAGEMENT (2022)

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Review Engineering, Environmental

A review of recent studies on toxicity, sequestration, and degradation of per- and polyfluoroalkyl substances (PFAS)

Rebecca A. Dickman et al.

Summary: The fate, effects, and treatment of per- and polyfluoroalkyl substances (PFAS) are of great interest due to their widespread presence in the environment and significant toxicological effects on humans and wildlife. This article reviews selected papers from the Journal of Hazardous Materials on the toxicity, sequestration, and degradation of PFAS, and makes them available as open-access publications to facilitate the distribution of critical knowledge on PFAS. The review discusses routes of toxicity, observed human health effects, in-silico approaches for toxicity evaluation, removal methods, and degradation techniques for PFAS.

JOURNAL OF HAZARDOUS MATERIALS (2022)

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Article Environmental Sciences

In Vivo Transformation of a Novel Polyfluoroether Surfactant

Andrew P. Folkerson et al.

Summary: The biotransformation and elimination kinetics of a novel polyfluorinated surfactant, diFESOS, showed relatively fast elimination kinetics compared to legacy fluorinated surfactants, and its metabolites had faster elimination kinetics than their fully fluorinated counterparts. The rat study identified a novel metabolite 2H-3:2 PFESA, and perfluoropropionic acid was detected as a likely terminal product in rat urine. Blood levels of metabolites were higher in orally dosed rats compared to intravenously dosed rats, indicating the importance of gut and liver metabolism.

ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY (2021)

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Review Engineering, Environmental

Per and poly-fluoroalkyl substances (PFAS) as a contaminant of emerging concern in surface water: A transboundary review of their occurrences and toxicity effects

Aditi Podder et al.

Summary: PFAS have been recognized as emerging contaminants by the US EPA, leading to advisory guidelines worldwide aimed at limiting their occurrences in aquatic environments, especially for PFOS and PFOA. Studies have shown that PFOA and PFOS concentrations in many surface water matrices exceed the US EPA health advisory level for lifetime exposure from drinking water.

JOURNAL OF HAZARDOUS MATERIALS (2021)

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Article Engineering, Environmental

The molecular-level understanding of the uptake of PFOS and its alternatives (6:2 Cl-PFESA and OBS) into phospholipid bilayers

Guochun Lv et al.

Summary: Through molecular dynamics simulations, the study investigated the uptake processes of PFOS and its alternatives into DPPC bilayers, revealing a barrier when the PFASs are absorbed into the bilayers. The interaction between three DPPC molecules and a PFAS molecule stabilizes the PFAS molecule while shielding it from exposure to water environment. The study sheds light on the bioaccumulation and toxicity of PFOS and its alternatives.

JOURNAL OF HAZARDOUS MATERIALS (2021)

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Review Environmental Sciences

Review on perfluoroalkyl and polyfluoroalkyl substances (PFASs) in the Chinese atmospheric environment

Qi Wang et al.

SCIENCE OF THE TOTAL ENVIRONMENT (2020)

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Article Engineering, Environmental

Are Fluoropolymers Really of Low Concern for Human and Environmental Health and Separate from Other PFAS?

Rainer Lohmann et al.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2020)

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Article Multidisciplinary Sciences

Understanding the oxidation mechanism of methanesulfinic acid by ozone in the atmosphere

Guochun Lv et al.

SCIENTIFIC REPORTS (2019)

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Article Engineering, Environmental

PFOA and PFOS Disrupt the Generation of Human Pancreatic Progenitor Cells

Shuyu Liu et al.

ENVIRONMENTAL SCIENCE & TECHNOLOGY LETTERS (2018)

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Article Environmental Sciences

Characteristics of perfluoroalkyl acids in atmospheric PM10 from the coastal cities of the Bohai and Yellow Seas, Northern China

ShuangYu Yu et al.

ENVIRONMENTAL POLLUTION (2018)

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Article Engineering, Environmental

A Never-Ending Story of Per- and Polyfluoroalkyl Substances (PFASs)?

Zhanyun Wang et al.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2017)

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Article Environmental Sciences

Per- and poly-fluoroalkyl substances (PFASs) in the urban, industrial, and background atmosphere of Northeastern China coast around the Bohai Sea: Occurrence, partitioning, and seasonal variation

Yiming Yao et al.

ATMOSPHERIC ENVIRONMENT (2017)

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Article Environmental Sciences

Uncertainty and variability in atmospheric formation of PFCAs from fluorotelomer precursors

Colin P. Thackray et al.

ATMOSPHERIC CHEMISTRY AND PHYSICS (2017)

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Article Environmental Sciences

Perfluorinated compounds in soil, surface water, and groundwater from rural areas in eastern China

Shu Chen et al.

ENVIRONMENTAL POLLUTION (2016)

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Article Engineering, Environmental

Nationwide Distribution of Per- and Polyfluoroalkyl Substances in Outdoor Dust in Mainland China From Eastern to Western Areas

Yiming Yao et al.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2016)

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Article Chemistry, Multidisciplinary

KiSThelP: A Program to Predict Thermodynamic Properties and Rate Constants from Quantum Chemistry Results

Sebastien Canneaux et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2014)

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Article Engineering, Environmental

Heterogeneous Photooxidation of Fluorotelomer Alcohols: A New Source of Aerosol-Phase Perfluorinated Carboxylic Acids

Sarah A. Styler et al.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2013)

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Article Engineering, Environmental

First Report of a Chinese PFOS Alternative Overlooked for 30 Years: Its Toxicity, Persistence, and Presence in the Environment

Siwen Wang et al.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2013)

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Article Biochemistry & Molecular Biology

Optimization of parameters for semiempirical methods VI: more modifications to the NDDO approximations and re-optimization of parameters

James J. P. Stewart

JOURNAL OF MOLECULAR MODELING (2013)

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Article Chemistry, Multidisciplinary

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)

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Article Chemistry, Multidisciplinary

Effect of the Damping Function in Dispersion Corrected Density Functional Theory

Stefan Grimme et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)

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Article Chemistry, Multidisciplinary

Confab - Systematic generation of diverse low-energy conformers

Noel M. O'Boyle et al.

JOURNAL OF CHEMINFORMATICS (2011)

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Article Chemistry, Multidisciplinary

Open Babel: An open chemical toolbox

Noel M. O'Boyle et al.

JOURNAL OF CHEMINFORMATICS (2011)

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Review Engineering, Environmental

Indoor Contamination with Hexabromocyclododecanes, Polybrominated Diphenyl Ethers, and Perfluoroalkyl Compounds: An Important Exposure Pathway for People?

Stuart Harrad et al.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2010)

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Article Engineering, Environmental

Polyfluorinated Compounds in the Atmosphere of the Atlantic and Southern Oceans: Evidence for a Global Distribution

Annekatrin Dreyer et al.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2009)

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Review Engineering, Environmental

Are PFCAs bioaccumulative? A critical review and comparison with regulatory lipophilic compounds

Jason M. Conder et al.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2008)

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Article Engineering, Environmental

High-resolution atmospheric modeling of fluorotelomer alcohols and perfluorocarboxylic acids in the north American troposphere

Greg Yarwood et al.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2007)

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Article Engineering, Environmental

Formation of C7F15COOH (PFOA) and other perfluorocarboxylic acids during the atmospheric oxidation of 8:2 fluorotelomer alcohol

TJ Wallington et al.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2006)

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Article Chemistry, Physical

Semiempirical hybrid density functional with perturbative second-order correlation

S Grimme

JOURNAL OF CHEMICAL PHYSICS (2006)

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Article Chemistry, Physical

Accurate Coulomb-fitting basis sets for H to Rn

F Weigend

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)

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Article Chemistry, Physical

Atmospheric chemistry of 4:2 fluorotelomer alcohol (n-C4F9CH2CH2OH):: Products and mechanism of Cl atom initiated oxidation in the presence of NOx

MPS Andersen et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2005)

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Article Chemistry, Physical

Using Hessian updating to increase the efficiency of a Hessian based predictor-corrector reaction path following method

HP Hratchian et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2005)

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Article Chemistry, Physical

Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy

F Weigend et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)

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Article Engineering, Environmental

Degradation of fluorotelomer alcohols: A likely atmospheric source of perfluorinated carboxylic acids

DA Ellis et al.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2004)

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Article Chemistry, Physical

Accurate reaction paths using a Hessian based predictor-corrector integrator

HP Hratchian et al.

JOURNAL OF CHEMICAL PHYSICS (2004)

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Article Engineering, Environmental

Atmospheric lifetime of fluorotelomer alcohols

DA Ellis et al.

ENVIRONMENTAL SCIENCE & TECHNOLOGY (2003)

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Understanding the atmospheric transformation mechanism of an emerging fluorinated alcohol (FESOH)

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