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AHHS Dust PFAS NTA Negative Mode 3-28-25
This information comes from the dataset README covering the NTA data and associated metadata for this dataset. Dust samples were collected from home vacuum bags and sieved (<150 µm). Internal standard (MPFAC-MXA, Wellington Labs) was spiked , dependent on dust mass, to a concentration of 10 ng/g. Native standards (PFAC-MXA in methanol, Wellington Labs) were dosed into each calibration and QC standard. The next day, 5 ml methanol was added to each sample. Samples were sonicated, centrifuged, and cleaned up. Samples were then blown down using a dry nitrogen gas stream not to dryness; samples were reconstituted to 0.5 ml with methanol as needed. A 100 µl aliquot of sample extract was combined with 300 µl mobile phase A (see below). Sample extracts were analyzed by UHPLC-MS/MS on a Thermo Scientific (Waltham, MA) system consisting of a TriPlus RSH autosampler/injector, Vanquish Horizon UPLC/pump system, and Thermo Orbitrap Fusion tribrid mass spectrometer. Chromatographic separation was performed using a Restek (Bellefonte, PA) Raptor C18 column at 55 °C. A 15-minute reverse-phase gradient was applied consisting of mobile phases A (95:5 v/v deionized water:methanol containing 2.5 mM ammonium acetate) and B (5:95 v/v deionized water:methanol containing 2.5 mM ammonium acetate). Negative-polarity electrospray ionization [ESI (-)] was applied first, with positive-polarity applied afterwards. Mass spectra were collected using a resolving power of 50,000, with preferred-ion data-dependent acquisition (DDA) applied to select molecular features for MS2 fragmentation. Samples were analyzed in a single batch. The full batch was repeated twice with randomized sample order. Separate batches were run for ESI(+) and ESI(-) analysis, for a total of six sample batches. Targeted methanolic calibration standards at concentrations of 1-1000 ng/g Wellington PFAC-MXA PFAS mixture were run at the start and end of the first batch. Method blanks, QC standards, pooled samples, and solvent-only blanks were run every ten samples across all batches. After data collection, chromatograms were processed and peak areas integrated in Thermo Scientific Xcalibur Quan Browser 4.3 for targeted quantitation. For nontargeted identification, chromatograms and associated mass spectra were processed in Thermo Scientific Compound Discoverer 3.3. Features were prioritized for expert identification based on a combination of high maximum abundance, strong match to library spectra, negative mass defect (for PFAS), presence as a member of a likely hologous series (for PFAS and surfactants); and/or presence of diagnostic PFAS-related fragments in their MS2 spectra. Overall, 742 features of interest at confidence 1-3 were identified, as well as 7 confidence-5 features meriting inclusion in the final dataset, and excluding hundreds of features representing false positives/adducts/etc. tentatively identified by Compound Discoverer.
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PFAS measured in multiple indoor media. September 2024
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Summary statistics for PFAS measured in tap water, glass slab wipes, and house dust. Associated method and QC information. This dataset is associated with the following publication: Chang, N., C. Eichler, E. Cohen-Hubal, J.D.S. Jason D. Surratt, G. Morrison, and B. Turpin. Exposure to Per- and Polyfluoroalkyl Substances (PFAS) in North Carolina Homes: Results from the Indoor PFAS Assessment (IPA) Campaign. Environmental Science: Processes & Impacts. Royal Society of Chemistry, Cambridge, UK, 27(6): 1654-1670, (2025).
Examining NTA Performance and Potential Using Fortified and Reference House Dust as Part of EPA's Non-Targeted Analysis Collaborative Trial (ENTACT)
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The current study focuses on the analysis of SRM 2585 extracts that were distributed as part of ENTACT. It further introduces a separate recovery experiment, using SRM 2585, designed to shed light on factors that affect analyte loss during extraction, cleanup, instrumental analysis, and data processing. Many compounds have been measured and reported in SRM 2585 to date; cross-referencing these compounds against those detected via NTA provides a unique means with which to critically evaluate NTA performance in a real-world context. The recovery experiment described herein further informs factors (e.g., matrix, extraction procedures) that influence compound identification using NTA. Finally, by analyzing the same mixture of compounds at different concentrations and in the presence and absence of dust matrix, the performance of NTA is evaluated here from a quantitative perspective, rather than a typical qualitative perspective. This dataset is associated with the following publication: Newton, S., J. Sobus, E. Ulrich, R. Singh, A. Chao, J. McCord, S. Laughlin-Toth, and M. Strynar. Examining NTA Performance and Potential Using Fortified and Reference House Dust as Part of EPA's Non-Targeted Analysis Collaborative Trial (ENTACT). Analytical and Bioanalytical Chemistry. Springer, New York, NY, USA, 412: 4221–4233, (2020).
Blood Pb prediction with SHEDS-MM witth IEUBK
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The data is related to all figures and tables presented in the journal article. All data is written using the SAS software data format. This dataset is associated with the following publication: Zartarian, V., J. Xue, R. Tornero-Velez, and J. Brown. Children’s Lead Exposure: A Multimedia Modeling Analysis to Guide Public Health Decision-Making. ENVIRONMENTAL HEALTH PERSPECTIVES. National Institute of Environmental Health Sciences (NIEHS), Research Triangle Park, NC, USA, 125(9): 1-10, (2017).
Synchrotron data of Pb, As, and Fe speciation in soils
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Linear combination data showing the percent distribution of Pb, As, and Fe phases in soil samples exposed to simulated lung fluid. This dataset is associated with the following publication: Kastury, F., E. Smith, R. Karna, K. Scheckel, and A. Juhasz. An inhalation-ingestion bioaccessibility assay (IIBA) for the assessment of exposure to metal(loid)s in PM10. SCIENCE OF THE TOTAL ENVIRONMENT. Elsevier BV, AMSTERDAM, NETHERLANDS, 92-104, (2018).
PFAS Reconnaissance Landscape Data
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This dataset consists of summary data for potential landscape sources of per- and poly-fluoroalkyl substances (PFAS). These summary items include facilities from the Environmental Protection Agency (EPA) PFAS Analytics Tools, which were pulled from its Enforcement and Compliance History Online (ECHO), areas affected by fires (burned and urban burned areas) from Monitoring Trends in Burn Severity (MTBS), and landcover data from National Land Cover Dataset (NLCD) and Coastal Change Analysis Portal (C-CAP) around sites sampled as part of a National PFAS Tapwater Reconnaissance. These data are presented as a comma separated file, which includes summaries for all variables listed within a 5-kilometer buffer around each site, with an additional summary of burn areas within a 50-kilometer buffer. The purpose of this effort is to identify and quantify PFAS in drinking water sources at the point-of-use across the United States (US) and these data will be used to identify potential landscape-scale drivers of PFAS contamination in US tapwater (TW).