Per- and polyfluoroalkyl substances (PFAS) are environmental contaminants of emerging concern. The temperature dependent gas-solid reaction of four gas-phase PFAS compounds (fluorotelomer alcohols or FTOHS) with calcium oxide is examined. This reaction shows potential as a PFAS disposal method that forms a stable and environmentally friendly end product, calcium fluoride. In addition to monitoring the destruction of the primary PFAS compound, byproducts of the thermal treatment reaction are identified and monitored to determine whether such products of incomplete destruction, which could also be a source of PFAS in the environment, are removed during the treatment process. This dataset is associated with the following publication: Riedel, T., A. Wallace, E. Shields, J. Ryan, C. Lee, and B. Linak. Low Temperature Thermal Treatment of Gas-Phase Fluorotelomer Alcohols by Calcium Oxide. CHEMOSPHERE. Elsevier Science Ltd, New York, NY, USA, 272: 0, (2021).

Perfluoroalkyl and polyfluoroalkyl substances (PFAS) are used in many consumer applications due to their stain repellency, ability to form water-proof coatings and use in fire suppression. The production, application, transport and disposal of PFAS and PFAS treated products has resulted in their wide-spread occurrence in environmental and biological systems. Concern over exposure to PFAS 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. This dataset is associated with the following publication: Weber, E., C. Stevens, J. Washington, and R. Gladstone. Development of a PFAS reaction library: identifying plausible transformation pathways in environmental and biological systems. Environmental Science: Processes & Impacts. RSC Publishing, Cambridge, UK, 24(5): 689-753, (2022).

Datafiles in TXT file formats listing PFAS chemicals and a list of all PFAS Chemical Lists publicly available on the CompTox Chemicals Dashboard. This dataset is associated with the following publication: Williams, A., L. Gaines, C. Grulke, C. Lowe, G. Sinclair, V. Samano, I. Thillainadarajah, B. Meyer, G. Patlewicz, and A. Richard. Assembly and Curation of Lists of Per- and Polyfluoroalkyl Substances (PFAS) to Support Environmental Science Research. Frontiers in Environmental Science. Frontiers, Lausanne, SWITZERLAND, 10: 850019, (2022).

Dataset for "Gaines LGT, Sinclair G, Williams AJ. A proposed approach to defining per- and polyfluoroalkyl substances (PFAS) based on molecular structure and formula. Integr Environ Assess Manag. 2023 Jan 11. doi: 10.1002/ieam.4735. Epub ahead of print. PMID: 36628931". This dataset is associated with the following publication: Gaines, L., G. Sinclair, and A. Williams. A proposed approach to defining per- and polyfluoroalkyl substances (PFAS) based on molecular structure and formula. Integrated Environmental Assessment and Management. Allen Press, Inc., Lawrence, KS, USA, 19(5): 1333-1347, (2023).

Samples were collected for a comparison method development study with the University of Minnesota and the U.S. Geological Survey (USGS) National Water Quality Laboratory (NWQL) in Lakewood, Colorado. Widely used liquid chromatography-tandem mass spectrometry (LC-MS/MS) methods fail to capture large fractions of total organofluorine in environmental samples confounding the assessment and remediation of fluorinated pollution. Fluorine nuclear magnetic resonance (19F-NMR) is an inclusive method for organofluorine analysis that preserves chemical information about chemical compound classes of organofluorine.

In the current study, soils obtained from a collaboration with a fluorotelomer-based polymer manufacturing facility in New Jersey, USA were subjected to both targeted and non-targeted analysis of PFCA precursors. Surface soil samples were screened for twenty-two volatile PFAS precursors using GC-positive chemical ionization (PCI)-MS (targeted) including eight nFTOHs, four secondary FTOHs (sFTOHs), six FT-acrylates (FT-Acrs) and four FT-acetates (Table S1) as well as the concentrations of their terminal transformation products (i.e., PFCAs, n=16) determined by LC-MS/MS. Targeted analysis confirmed the presence of these series, specifically the nFTOHs, and non-targeted analysis highlighted additional known and novel industrial manufacturing by-products likely unintentionally produced during the FT-polymerization process. This dataset is associated with the following publication: Henderson, W., M. Evich, J. Washington, T. Ward, B. Schumacher, J. Zimmerman, Y. Kim, E. Weber, A. Williams, M. Smeltz, and D. Glinski. Analysis of Legacy and Novel Neutral Per- and Polyfluoroalkyl Substances in Soils from an Industrial Manufacturing Facility. ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 58(24): 10729–10739, (2024).

This research effort represents our initial method development research for soil gas, sewer gas, and indoor air samples for PFAS analyses as related to vapor intrusion. The product and associated subsequent products will be consistently updated leading to a constantly expanding database incorporating additional experiments.

Per- and polyfluoroaklyl substances (PFAS) of are of interest due to their persistence and ubiquity in the environment and their potential health and environmental effects. While these compounds have been well studied in the past 10 years, little is known about PFAS in oil and gas produced waters, which are voluminous and have the potential to impact the environment through surficial spills and groundwater contamination. This study aims to provide the first known analyses of PFAS in oil and gas produced waters. Samples including hydraulic fracturing fluid, water from two input ponds used to mix fracture fluid, and produced water from three wells in the Niobrara formation in the Denver Basin were collected and analyzed for PFAS. Time series samples from the three wells were collected from day 1 of production through approximately one year. For the day 1 production samples from the time series wells, both targeted PFAS using EPA Draft 1633 method and total oxidizable precursors (TOP) analyses were performed.

This is the PFAS concentrations in the various samples analyzed. These concentrations were used to creat the various graphs and tables in the associated manuscript. This dataset is associated with the following publication: Chen, Y., H. Zhang, Y. Liu, J. Bowden, T. Tolaymat, T. Townsend, and H. Solo-Gabriele. Evaluation of Per- and Polyfluoroalkyl Substances (PFAS) in Leachate, Gas Condensate, Stormwater and Groundwater at Landfills. CHEMOSPHERE. Elsevier Science Ltd, New York, NY, USA, 318: 137903, (2023).