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).

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).

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).

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.

A table of known interferences for per- and polyfluoroalkyl substances using mass spectrometry.

A table of known interferences for per- and polyfluoroalkyl substances using mass spectrometry.

A list of structures (and other identifiers) of possible per- and polyfluoroalkyl substances (PFAS). The data provided in the PFAS Suspect List has been aggregated from public sources and users, including peer-reviewed literature, patent literature, and public websites. Therefore, the quality and accuracy of the compound names, structures, and other properties have not been validated. The National Institute of Standards & Technology does not endorse or provide any assessment of confidence with the information provided.

The dataset provided here documents the information used to generate figures for "Characterizing the Air Emissions, Transport, and Deposition of Per- and Polyfluoroalkyl Substances from a Fluoropolymer Manufacturing Facility" published in Environmental Science and Technology. This dataset is associated with the following publication: D'Ambro, E., H. Pye, J. Bash, J. Boyer, C. Allen, C. Efstathiou, R. Gilliam, L. Reynolds, K. Talgo, and B. Murphy. Characterizing the air emissions, transport, and deposition of per- and polyfluoroalkyl substances from a fluoropolymer manufacturing facility. International Journal of Environmental Science and Technology. Springer, Heidelburg, GERMANY, 55(2): 862-870, (2021).

The dataset provided here documents the information used to generate figures for "Characterizing the Air Emissions, Transport, and Deposition of Per- and Polyfluoroalkyl Substances from a Fluoropolymer Manufacturing Facility" published in Environmental Science and Technology. This dataset is associated with the following publication: D'Ambro, E., H. Pye, J. Bash, J. Boyer, C. Allen, C. Efstathiou, R. Gilliam, L. Reynolds, K. Talgo, and B. Murphy. Characterizing the air emissions, transport, and deposition of per- and polyfluoroalkyl substances from a fluoropolymer manufacturing facility. International Journal of Environmental Science and Technology. Springer, Heidelburg, GERMANY, 55(2): 862-870, (2021).

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.