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82 results for “PFAS”
Indicators of Contaminant Sources, PFAS, and Water Quality in Ellerbe Creek and New Hope Creek, NC (2019-2022)
Thousands of chemical contaminants are found in urban stream globally. This is a dataset of water quality measures of (1) compounds that are indicative of specific contaminant sources, (2) common water quality measures [trace metals, major ions, nutrients], and (3) PFAS. Sampling was conducted in Ellerbe Creek and New Hope Creek in the Durham and Orange counties of North Carolina. Biweekly and synoptic sampling was undertaken to explore spatial and temporal variation in water concentrations.
PFAS, Coliform, and E. coli Data from Freshwater Canals, Brackish Water in Biscayne Bay, and Ocean Salt Water from Miami Beaches, Florida, USA, July 2023
This package contains data on levels of Per- and polyfluoroalkyl substances (PFAS), Coliform, and E. coli from samples collected at 15 water sampling sites in and around Biscayne Bay, Florida on 2023-07-27 as part of the Coastal Ecosystem-Research Experience for Teachers (CE-BIORETS) program. The sites included waterways leading to Biscayne Bay (freshwater canals), Biscayne Bay directly (marine brackish water), and ocean water from Miami beaches (marine salt water). A total of 500 mL of surface water was collected (at approximately 30 cm depth) from each site. Samples were run through a Solid Phase Extraction process (SPE) and then dried using a Nitrogen Evaporator. Extracts were then analyzed by Liquid Chromatography-Triple quadrupole Mass Spectrometry (LC-MS/MS) to determine the quantity of each of the different PFAS (ng/L) present in the sample. The same sites were selected for Coliform and E. coli colony forming units’ detection, and samples were collected at the same time as the PFAS samples. Samples were analyzed by pouring 100 mL of collected water into the wells on a ColiPlate. The 15 plates were incubated for 1 day at 37°C to determine if Coliforms and E. coli were detected. Data collection for this project is complete.
S100 | PFASREACH | List of PFAS identified in REACH 2019
<p>This is the collection associated with list S100 PFASREACH List of PFAS identified in REACH 2019 on the NORMAN Suspect List Exchange.</p> <p><a href="https://www.norman-network.com/nds/SLE/">https://www.norman-network.com/nds/SLE/</a></p> <p>A list of 437 PFAS identified in Registration, Evaluation, Authorisation and Restriction of Chemicals <a href="https://eur-lex.europa.eu/eli/reg/2008/1272">(REACH) Reg. (EC) No 1272/2008</a> in September 2019. Of these, 17 are produced at >1000 tonnes/year and 84 at >10 tonnes per year for use in Europe. Collaborative effort between Hans Peter Arp (NGI) and Emma Schymanski (LCSB) within <a href="https://zenodo.org/communities/zeropm-h2020?page=1&size=20">ZeroPM</a> (EU H2020 grant 101036756).</p> <p>Updates: 14 Dec 2022: added 5 new CIDs following PubChem deposition. 16 April 2025: removed CID <a href="https://pubchem.ncbi.nlm.nih.gov/compound/10996402">10996402</a> and <a href="https://pubchem.ncbi.nlm.nih.gov/compound/21967041">21967041</a> as they are not PFAS, due to external report via PubChem. </p>
Inter-Chemical Correlation results for the study: HHEARx2017-1967 (Perfluoroalkyl and Polyfluroalkyl Substances (PFAS), Protein Biomarkers, Adiposity and Cardiometabolic Risk Factors in a 3-year Cohort of Low-Income Latino Children with Overweight and Obesity from the Stanford GOALS Randomized Controlled Trial)
Title: Perfluoroalkyl and Polyfluroalkyl Substances (PFAS), Protein Biomarkers, Adiposity and Cardiometabolic Risk Factors in a 3-year Cohort of Low-Income Latino Children with Overweight and Obesity from the Stanford GOALS Randomized Controlled Trial <br>Species: Homo sapiens <br>Number of samples: 1085 <br>Number of named analytes: 8 <br>Datasource url: https://hheardatacenter.mssm.edu/PublicFile/ViewPublicFile?projectid=36 <br>
PubChem OECD PFAS Larger PFAS Parts file for MetFrag
<p>This is a <a href="https://msbi.ipb-halle.de/MetFrag/">MetFrag</a> database file constructed from the "Molecule contains PFAS parts larger than CF<sub>2</sub>/CF<sub>3</sub>" subnode of the OECD PFAS Definition node in the <a href="https://pubchem.ncbi.nlm.nih.gov/classification/#hid=120"> PFAS and Fluorinated Organic Compounds in PubChem Tree</a> on the Classification Browser in PubChem.</p> <p>This file was constructed by downloading the node contents, selecting the columns of interest, changing the headers to MetFrag-compatible headers. Entries containing Xe, Pr, Po, Ru and W were removed; charges were also removed from formulas to avoid issues with MetFragCL.</p> <p>The construction of the tree is documented <a href="https://gitlab.com/uniluxembourg/lcsb/eci/pubchem-docs/-/raw/main/pfas-tree/PFAS_Tree.pdf?inline=false">here</a>.</p> <p>Note: PubChem authors have been removed from this version to comply with a presidential decree. This version was prepared exclusively by the remaining author. </p>
S25 | OECDPFAS | List of PFAS from the OECD
<p>This is the collection associated with list S25 OECDPFAS on the NORMAN Suspect List Exchange.</p> <p><a href="https://www.norman-network.com/nds/SLE/">https://www.norman-network.com/nds/SLE/</a></p> <p>S25 | OECDPFAS | <strong>List of PFAS from the OECD</strong></p> <p>A list of PFAS released by the OECD, provided by Zhanyun Wang. Details in this <a href="https://www.norman-network.com/sites/default/files/files/suspectListExchange/190618Update/ENV-JM-MONO%282018%297.pdf">OECD Monograph</a>. Extensive registration and curation performed by CompTox Dashboard team (see CompTox files). </p> <p>Nov 14 update: added CSV. Feb 6, 2020: minor SMILES corrections in CSV for PubChem upload. 12 Mar 2022: corrected structure for DTXSID90703694.</p>
S80 | PFASGLUEGE | Overview of PFAS Uses
<p>This is the collection associated with list S80 PFASGLUEGE Overview of PFAS Uses on the NORMAN Suspect List Exchange.</p> <p><a href="https://www.norman-network.com/nds/SLE/">https://www.norman-network.com/nds/SLE/</a></p> <p>An overview of the uses of per- and polyfluoroalkyl substances (PFAS) from Glüge <em>et al</em> (2020) DOI: <a href="https://doi.org/10.1039/D0EM00291G">10.1039/D0EM00291G</a>.</p> <p>This data collection contains:</p> <ul> <li>Original ESI files (ESI-2.xlsm, ESI-3.xlsm) CC-BY-NC</li> <li>ESI-3 on a single sheet with structure mappings (as XLSX and CSV)</li> <li>ESI-2 on a single sheet with structure mappings (as XLSX and CSV) [added Jan 2022]</li> <li>PFASGLUEGE substances (unique structural information, as XLSX and CSV) [including ESI2 Jan 2022]</li> <li>InChIKey and DTXSID mapping files</li> <li>Additional mapping files to value add ESI-2 and ESI-3 content as a zip file (also on GitLab).</li> </ul> <p>Huge thanks to Parviel Chirsir for the FAIRification of this set.</p> <p>Update 21-22 March 2022: adjusted use information for the <a href="https://pubchem.ncbi.nlm.nih.gov/classification/#hid=101">classification tree</a>.</p>
S95 | PFASANEXCH | PFAS List from the NORMAN PFAS Analytical Exchange Activity
<p>This is the collection associated with list S95 PFASANEXCH on the NORMAN Suspect List Exchange.</p> <p><a href="https://www.norman-network.com/nds/SLE/">https://www.norman-network.com/nds/SLE/</a></p> <p>This is a list from the <a href="https://www.norman-network.net/sites/default/files/files/QA-QC%20Issues/2021%20NORMAN%20network%20PFAS%20Analytical%20Exchange%20Final%20Report%2014022022.pdf">PFAS Analytical Exchange Activity</a>, part of NORMAN Joint Programme of Activities (JPA) 2021 coordinated by UK Environment Agency. This activity aimed to gain an understanding of the current analytical capability of PFAS as Limit of Detection (LOD) in participating international laboratories.</p>
OntoChem PFAS CORE and Patent Files for MetFrag
<p>These are MetFraggable versions of the PFAS lists produced by OntoChem by performing literature mining of the CORE database (27K entries) and Google Patent collections (1.7M entries). The MetFrag versions have undergone filtering to remove entries that prevent MetFrag running (i.e. multiple-entry formulas and certain elements). Each file contains a tag whether the PFAS fits three definitions, A, B and C. The CORE database also contains the number of references in which the PFAS entry was found. Each file is available as CSV or in compressed form.</p> <ul> <li>PFAS Definition A: Each compound that contains a CF<sub>2</sub> group</li> <li>PFAS Definition B: Each compound that contains a (AH)(AH)(F)C-C(AH)F<sub>2</sub> group, where AH groups could be hydrogen or any other atom and the bond between both aliphatic carbon atoms is a single bond</li> <li>PFAS Definition C: Each compound that contains a (R<sup>1</sup>)(R<sup>2</sup>)(F)C-C(R<sup>3</sup>)F<sub>2</sub> group is considered a PFAS, where the R groups are any atom except hydrogen and the bond between both aliphatic carbon atoms is a single bond</li> </ul> <p><strong><em>Please note these files are very large (especially patents) and should not be uploaded to MetFragWeb directly - they will be available from the dropdown menu. These are provided for command line users, and any other workflows interested in these files! </em></strong>The patent file is 1.7 million entries and can cause some delay in the command line, compared with smaller database files.</p> <p>Full details are available in this preprint by Barnabas et al (2022) DOI: <a href="https://doi.org/10.26434/chemrxiv-2022-nmnnd-v2">10.26434/chemrxiv-2022-nmnnd-v2</a></p> <p>Update 20/04/2022: uploaded files with updated CID mappings post-PubChem deposition.</p>
EFSA Project on the use of NAMs to explore the immunotoxicity of PFAS (Annexes B, C, D1, E, G, I, K, M, O)
<p>In vitro raw data, RIN values and RNA concentrations, DNA quality assessment, RNAseq outputs and analysis of EFSA Project on the use of NAMs to explore the immunotoxicity of PFAS (OC/EFSA/SCER/2021/13). </p>
S102 | PARCPFAS | List of PFAS from PARC WP4
<p>This is the collection associated with list S102 PARCPFAS List of PFAS from PARC WP4 on the NORMAN Suspect List Exchange.</p><p><a href="https://www.norman-network.com/nds/SLE/">https://www.norman-network.com/nds/SLE/</a></p><p>A list of PFAS prioritized by Work Package 4 (WP4, Task 4.2) in the European Partnership for the Assessment of Risks from Chemicals (<a href="https://www.anses.fr/en/content/european-partnership-assessment-risks-chemicals-parc">PARC</a>), provided by Stefano Polesello and Sara Valsecchi, Water Research Institute - National Research Council of Italy (<a href="http://www.irsa.cnr.it">IRSA-CNR</a>), Italy. </p><p>Update 3 Dec 2023: updated ClPFCEA structures (rows 45b,c,d&f) upon discussion with Sara. </p>
S89 | PRORISKPFAS | List of PFAS Compiled from NORMAN SusDat
<p>This is the collection associated with list S89 PRORISKPFAS, List of PFAS Compiled from NORMAN-SusDat on the NORMAN Suspect List Exchange.</p> <p><a href="https://www.norman-network.com/nds/SLE/">https://www.norman-network.com/nds/SLE/</a></p> <p>A compiled list of 4777 PFAS compounds occurring in NORMAN SusDat, created by merging SLE lists S9, S14, S25, S46, and S80 and searching for additional fluorinated content in SusDat. Provided by Kelsey Ng, EI. Manuscript in preparation entitled: "Target and suspect screening of PFAS in wastewater, river water, ground water and biota samples in the Danube River Basin"</p> <p>Mapping to CID and DTXSID provided by ECI. v0.1.2: fixed NS00111947 to correct structure (CID 85993549 not 53471611).</p>
S117 | PFASFCCDB | 140 PFAS from FCCdb
<p>This is the collection associated with list S117 PFASFCCDB List of 140 PFAS from FCCdb on the NORMAN Suspect List Exchange.</p> <p><a href="https://www.norman-network.com/nds/SLE/">https://www.norman-network.com/nds/SLE/</a></p> <p>A list of 140 PFAS from the Food Contact Chemical database (FCCdb - <a href="../records/7304977">see S77</a>), the database of intentionally added FCCs. Only seven of the 140 PFAS were also among the 68 PFAS found in the list of Migrating & Extractable Food Contact Chemicals (FCCmigex -<a href="../records/10551195"> see S112</a>). Details in Phelps et al (2024) DOI: 10.1021/acs.est.3c03702.</p>
S118 | PFASFCCMIGEX | 68 PFAS in Migrating & Extractable Food Contact Chemicals (FCCmigex)
<p>This is the collection associated with list S118 PFASFCCMIGEX 68 PFAS in Migrating & Extractable Food Contact Chemicals (FCCmigex) on the NORMAN Suspect List Exchange.</p> <p><a href="https://www.norman-network.com/nds/SLE/">https://www.norman-network.com/nds/SLE/</a></p> <p>List of the 68 PFASs identified in migrating and extractable food contact chemicals (FCCmigex- see <a href="../records/10551195">S112</a>) by the Food Packaging Forum based on 47 studies as published in Phelps et al (2024) DOI:<a href="https://pubs.acs.org/doi/10.1021/acs.est.3c03702">10.1021/acs.est.3c03702</a>.</p>
S14 | KEMIPFAS | PFAS Highly Fluorinated Substances List: KEMI
<p>This is the collection associated with list S14 KEMIPFAS on the NORMAN Suspect List Exchange.</p> <p><a href="https://www.norman-network.com/nds/SLE/">https://www.norman-network.com/nds/SLE/</a></p> <p>Appendix 2 from Swedish Chemicals Agency <a href="https://www.norman-network.com/sites/default/files/files/suspectListExchange/report-7-15-occurrence-and-use-of-highly-fluorinated-substances-and-alternatives.pdf">KEMI Report 7/15</a>. Provided by Stellan Fischer, KEMI. Registration and mapping to <a href="https://comptox.epa.gov/dashboard/">CompTox Dashboard</a> by Antony Williams, US EPA. Nov 17 2019 update: added CSV files for PubChem upload.</p>
Data from "Examining potential PFAS Contamination of Private Wells from a High School in Rural Maine"
Data from "Schools as Sources of PFAS Contamination of private wells in Rural Maine communities" In a community-engaged research project near Mount Desert Island High School in Bar Harbor, Maine, efforts were made to understand potential well contamination. This involved attending public meetings, distributing PFAS drinking water sample kits to homeowners, and collaborating on sample collection protocols. Surface water samples were collected from wetlands adjacent to the school, while drinking water samples were obtained from eight property owners, with careful adherence to sampling procedures to prevent contamination. Samples were analyzed for PFAS content and data are reported here.
Database of alternatives to persistent, mobile and toxic (PMT) substances, and to per- and polyfluoroalkyl substances (PFAS).
<p>ZeroPM partners are continuously building a database of alternatives to persistent, mobile and toxic (PMT) substances, and to per- and polyfluoroalkyl substances (PFAS). The current version available focuses on alternatives to PFAS. The ZeroPM alternative assessment database is currently available as a beta-version. It will be continuously updated as we obtain more information on alternatives to PFAS and other PMT substances.</p> <p>For information about the database, please visit: https://zeropm.eu/alternative-assessment-database/ </p>
Supplementary data for ZeroPM Deliverable 2.1 - List of viable alternatives for uses of PFAS and PM substances with hazard characterization
<p>This dataset contains the data collected for all the studies which are mentioned in the ZeroPM deliverable D2.1 titled "List of viable alternatives for uses of PFAS and PM substances with hazard characterization".</p>
S46 | PFASNTREV19 | List of PFAS reported in Non-Target HRMS Studies (Liu et al 2019)
<p>This is the collection associated with list S46 PFASNTREV2019 on the NORMAN Suspect List Exchange.</p> <p><a href="https://www.norman-network.com/nds/SLE/">https://www.norman-network.com/nds/SLE/</a></p> <p>S46 | PFASNTREV19 | <strong>List of PFAS reported in Non-Target HRMS Studies (Liu <em>et al</em> 2019)</strong></p> <p>Table 1 from Liu et al as <a href="https://www.norman-network.com/sites/default/files/files/suspectListExchange/220319Update/Liu_etal_2019_HRMS_PFAS_1-s2.0-S0165993618306253-Table1.pdf">PDF</a><br> MS-ready form in <a href="https://www.norman-network.com/sites/default/files/files/suspectListExchange/080419Update/PFASNTREV19_Liu_etal_17042019.xlsx">XLSX</a> (formatted) and <a href="https://www.norman-network.com/sites/default/files/files/suspectListExchange/080419Update/PFASNTREV19_Liu_etal_17042019.csv">CSV</a> (17/04/2019)<br> CompTox <a href="https://comptox.epa.gov/dashboard/chemical_lists/PFASNTREV19">PFASNTREV19 List</a></p> <p>PFASNTREV19 <a href="https://www.norman-network.com/sites/default/files/files/suspectListExchange/080419Update/PFASNTREV19_InChIKeys_17042019.txt">InChIKeys</a> (17/04/2019)</p> <p>List compiled in the non-target HRMS PFAS review by Liu et al 2019, DOI: <a href="https://doi.org/10.1016/j.trac.2019.02.021">10.1016/j.trac.2019.02.021</a>. MS-ready list prepared by Yanna Liu, Lisa D’Agostino, Emma Schymanski and Jon Martin. Note not all entries have structures.</p> <p>Update Feb 6, 2020: minor SMILES corrections to CSV for PubChem upload.</p>
S96 | ECIPFAS | Updatable List to add PFAS Structures to Public Resources from ECI (UniLu)
<p>This is the collection associated with list S96 ECIPFAS Updatable List to add PFAS Structures to Public Resources from ECI (UniLu) on the NORMAN Suspect List Exchange.</p> <p><a href="https://www.norman-network.com/nds/SLE/">https://www.norman-network.com/nds/SLE/</a></p> <p>This dataset is for users to contribute PFAS from the literature or other documents to the NORMAN SLE, SusDat and PubChem. Note that the role of this list is to enable the addition of new PFAS into databases and is not intended to be a comprehensive PFAS listing. The start of this collection was all PFAS entries in the S74_REFTPS dataset, which includes also legacy PFAS.</p> <p>Update 29/3/2022: Added Munoz et al data. 1/4/2022: added CIDs for new entries from 29/3. Update 03/05/2022 added new entries. 18/12: updated existing entries, corrected CID 163201609 => 166001338. Update 06/09/2025: added new entries from Jonathan Zweigle; 10/09/2025 added new CIDs.</p>
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