cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.23719/1528373
title: A geospatial modeling approach to quantifying the risk of exposure to environmental chemical mixtures via a common molecular target

description: Data files for "Eccles KM, Karmaus AL, Kleinstreuer NC, Parham F, Rider CV, Wambaugh JF, Messier KP. A geospatial modeling approach to quantifying the risk of exposure to environmental chemical mixtures via a common molecular target. Sci Total Environ. 2023 Jan 10;855:158905. doi: 10.1016/j.scitotenv.2022.158905. Epub 2022 Sep 21. PMID: 36152849"
DOI: 10.23719/1528517
title: Identifying xenobiotic metabolites with in silico prediction tools and LCMS suspect screening analysis

description: Data for "Boyce Matthew, Favela Kristin A., Bonzo Jessica A., Chao Alex, Lizarraga Lucina E., Moody Laura R., Owens Elizabeth O., Patlewicz Grace, Shah Imran, Sobus Jon R., Thomas Russell S., Williams Antony J., Yau Alice, Wambaugh John F. Identifying xenobiotic metabolites with in silico prediction tools and LCMS suspect screening analysis. Frontiers in Toxicology, 5, 2023 https://www.frontiersin.org/articles/10.3389/ftox.2023.1051483    10.3389/ftox.2023.1051483, 2673-3080
DOI: 10.23719/1528669
title: Fish River Watershed Wetland Nutrient Modeling Data

description: The data are: 1) compilation of field observed nutrient and hydrometeorological data for the Upper Fish River Watershed (UFRW); 2) wetland and GIS data downloaded from national repositories for UFRW; 3) wetland nutrient data generated by the models for the UFRW; 4) output data (nutrient loads and removal rates) produced by the SWAT-WetQual (watershed-wetland) model framework for the UFRW; 5) global wetland nutrient function data obtained from literature; and 6) model data used in developing statistical regression relationships for nutrient removal rates and efficiencies.  
Nutrients: Nitrate and Orthophosphate.
DOI: 10.23719/1528698
title: A New CSRML Structure-Based Fingerprint Method for Profiling and Categorizing Per- and Polyfluoroalkyl Substances (PFAS)

description: Data for Ann M. "Richard, Ryan Lougee, Matthew Adams, Hannah Hidle, Chihae Yang, James Rathman, Tomasz Magdziarz, Bruno Bienfait, Antony J. Williams, and Grace Patlewicz, Chemical Research in Toxicology 2023 36 (3), 508-534, DOI: 10.1021/acs.chemrestox.2c00403"

Table S1 FP ToxPrint fingerprint matrix exported from the ChemoTyper for PFASSTRUCTV5 containing 14,735 rows indexed by DTXSID substance identifier and 729 columns indexed by ToxPrint names (alphabetized); 

Table S2 TxP_PFAS_v1.0.4 fingerprint matrix exported from the ChemoTyper for PFASSTRUCTV5 containing 14,735 rows indexed by DTXSID substance identifier and 129 columns indexed by TxP_PFAS_v1.0.4 chemotype names (alphabetized)

Table S3 Chemotype count totals for TxP_PFAS_v1.0.4 mapped to PFASSTRUCTV5 compared to counts for PFASSTRUCTV4, as well as corresponding ToxPrint names where a close correspondence exists

Table S4 Chemotype count totals for ToxPrints mapped to PFASSTRUCTV5 compared to counts for PFASSTRUCTV4, as well as indications of which ToxPrints have a closely corresponding TxP_PFAS chemotype

Table S5 DSSTox chemical identifiers (DTXSID, SMILES, name, CASRN, formula) for PFASSTRUCTV5 list, indicator column for overlapping content in PFASSTRUCTV4 (10,586) and PFASOECD (3662) lists, indicator columns for the 7 TxP_PFAS chemotypes used in the OECD Category analysis of Section 5, indicator columns for chemicals containing one or more of the 20 TxP_PFAS fluorotelomer (FT) chemotypes or designated as an OECD FT, and assigned OECD Structure-Category Name for the 3662 overlapping OECD vs PFASSTRUCTV5 chemicals, with the last separated column listing the 106 unique OECD Structure Categories; PFASSTRUCTV5_20221101.sdf containing 14,735 structures, also described and available for viewing and download at: https://comptox.epa.gov/dashboard/chemical-lists/PFASSTRUCTV5; TxP_PFAS_v1.0.4.xml CSRML file containing coding for 129 TxP_PFAS chemotypes and their hierarchy index.
DOI: 10.23719/1528699
title: Nitrogen-Sparging Assisted Anoxic Biological Drinking Water Treatment System

description: data comparing denitrification reactors operated in the lab
DOI: 10.23719/1528918
title: Datasets for 'Probabilistic Points of Departure and Reference Doses for Characterizing Human Noncancer and Developmental/Reproductive Effects for 10,145 Chemicals'

description: First, we curated and selected experimental animal toxicity data and split them into two distinct data sets covering general noncancer eﬀects and reproductive/developmental eﬀects. Second, we collected POD values from regulatory data sources (PODreg) and compared these PODreg with the curated dose–response toxicity data to identify a statisti-cal approach for deriving surrogate oral PODs. Third, we systematically applied this approach to determine a surrogate POD for each substance in the two curated data sets. We then characterized the uncertainty around each of the surrogate PODs that was due to intrastudy and interstudy variability through a bootstrapping approach. Finally, using the surrogate PODs and their uncertainty, we derived both probabilistic RfDs and human population eﬀect doses (I =10%) for use in health-based or comparative risk assessments and LCIA, respectively.
DOI: 10.23719/1529093
title: Plasma Protein Binding Evaluations of Per- and Polyfluoroalkyl Substances for Category-Based Toxicokinetic Assessment

description: Marci Smeltz, John F. Wambaugh, and Barbara A. Wetmore, Plasma Protein Binding Evaluations of Per- and Polyfluoroalkyl Substances for Category-Based Toxicokinetic Assessment, Chemical Research in Toxicology, 10.1021/acs.chemrestox.3c00003
DOI: 10.23719/1529136
title: NRSA chemistry in sites <1000m2 with deposition as largest source Lassiter paper

description: Stream N and other water chemistry measurements originate from three national-scale, randomized, unequally weighted probability surveys of the U.S. EPA's National Rivers and Streams Assessment (NRSA) between 2000 and 2014, conducted as part of the National Aquatic Resource Surveys (NARS; https://www.epa.gov/national-aquaticresource-surveys/data-national-aquatic-resource-surveys). The NRSA sampling design assures a statistically valid assessment of the physical,
chemical, and biological conditions of the population of U.S. streams and rivers.  The first of the NRSA surveys (2000–2004) also known as the Wadeable Streams Assessment (WSA) sampled wadeable (1st through 4th Strahler Order) streams in the 48 conterminous states. Additional surveys were conducted in 2008–2009 (survey 2) and 2013–2014 (survey 3), and included larger, non-wadeable sites. Each of the three surveys sampled roughly 2000 perennial stream/river sites, using a standardized probability-based sampling method that did not change over time.  Since large rivers and streams were not sampled during the 2000–2004 survey, we restricted our analyses to survey datasets with associated watershed areas <1000km2, sampled roughly 5 years apart. Analyses in this study were limited to watersheds where deposition was the largest source of anthropogenic N, determined using the fine-scaled National Nutrient Inventory (NNI) dataset that are based on downscaled HUC-8 level N inventory of the CONUS (improved based on (Sabo et al., 2019) and (Lin et al., 2021)).  

Sabo, R.D., Clark, C.M., Bash, J., Sobota, D., Cooter, E., Dobrowolski, J.P., Houlton, B.Z., Rea, A., Schwede, D., Morford, S.L. and Compton, J.E., 2019. Decadal shift in nitrogen inputs and fluxes across the contiguous United States: 2002–2012. Journal of Geophysical Research: Biogeosciences, 124(10), pp.3104-3124.

Lin, J., Compton, J.E., Hill, R.A., Herlihy, A.T., Sabo, R.D., Brooks, J.R., Weber, M., Pickard, B., Paulsen, S.G. and Stoddard, J.L., 2021. Context is everything: interacting inputs and landscape characteristics control stream nitrogen. Environmental science & technology, 55(12), pp.7890-7899.
DOI: 10.23719/1529165
title: Supplemental Information for Dietary uptake of highly hydrophobic chemicals by rainbow trout

description: Detailed data and analysis supporting manuscript Dietary uptake of highly hydrophobic chemicals by rainbow trout
DOI: 10.23719/1529768
title: RI Mo-DO-N analyses

description: Mo and Al analytical data, statistical analysisof relation to hypoxia and nitrogen loading
DOI: 10.23719/1529789
title: Data to support Reactive organic carbon air emissions from mobile sources in the United States

description: This data were used to generate the figures in the peer-reviewed publication "Reactive organic carbon air emissions from mobile sources in the United States" published by Atmospheric Chemistry and Physics in 2023. 

The data were produced by analyses of the Motor Vehicle Emissions Simulator (MOVES) and the Community Multiscale Air Quality (CMAQ) model, both developed by EPA (OTAQ and ORD respectively). The analysis focuses on the impact of adjustments to national-level mobile source emissions when considering artifacts from filter measurements and inclusion of intermediate volatility organic compounds which are potent precursors of particulate matter.
DOI: 10.23719/1529833
title: Data for Ambient air sampling for collection and quantification of viable Bacillus anthracis simulant spores during a large outdoor decontamination field exercise

description: The data include the Dry Filter Unit flow rate data and the microbiological data in terms of colony forming units collected on the DFU filters.  The data are for each DFU, for each day of sampling.
DOI: 10.23719/1529842
title: Fairbanks Large Building VI Data Set 

description: Passive and active VOC measurements were collected weekly for 15 months between December 2020 and April 2022 at the Fairbanks, AZ site. Various indicators and tracers (I&T), including indoor radon, differential pressure, temperature, and other environmental factors, were also collected. Results from this study help clarify the factors that influence temporal trends in VOC concentrations across multiple sampling zones in commercial buildings in a subarctic climate zone and thus inform vapor intrusion sampling strategies.
DOI: 10.23719/1529939
title: U.S. Scaled WARM Waste Management by Sector and Material, 2018 v1.3.2

description: Scaled WARM is a direct impacts model of GHG emissions, Employment, Wages, and Taxes attributed to material-specific waste management pathways. The waste management pathways are based on North American Industry Classification System (NAICS) 2012 codes. 

This dataset is generated by fusing material-specific factors from the USEPA Waste Reduction Model (WARM) with waste generation data from USEPA Facts and Figures, Wasted Food Report, and CDDPath. Scaled WARM is generated with FLOWSA v1.3.2 (https://github.com/USEPA/flowsa/tree/v1.3.2) and the method file https://github.com/USEPA/HIO/blob/v0.1.0/flowsa/flowbysectormethods/Mixed_WARM_national_2018.yaml.
DOI: 10.23719/1529942
title: National Commercial Non-Hazardous Waste Totals by Industry 2018 v1.3.0

description: This dataset contains 2018 national Commercial Non-Hazardous Waste by North American Industry Classification System (NAICS) 2012 6-digit codes. This dataset was generated with FLOWSA v1.3.0 (https://github.com/USEPA/flowsa/tree/v1.3.0) and the method file https://github.com/USEPA/flowsa/blob/v1.3.0/flowsa/methods/flowbysectormethods/CNHW_national_2018.yaml. The metadata text file included as a supporting document records the FLOWSA tool version and input dataset bibliographic details.
DOI: 10.23719/1529952
title: PFAS Biotransformation Pathways: A Species Comparison Study

description: Data for "Kolanczyk RC, Saley MR, Serrano JA, Daley SM, Tapper MA. PFAS Biotransformation Pathways: A Species Comparison Study. Toxics. 2023 Jan 12;11(1):74. doi: 10.3390/toxics11010074. PMID: 36668800; PMCID: PMC9862377."
DOI: 10.23719/1529962
title: A multi-tiered hierarchical Bayesian approach to derive toxic equivalency factors for dioxin-like compounds

description: Supplementary data for "Ring C, Blanchette A, Klaren WD, Fitch S, Haws L, Wheeler MW, DeVito M, Walker N, Wikoff D. A multi-tiered hierarchical Bayesian approach to derive toxic equivalency factors for dioxin-like compounds. Regul Toxicol Pharmacol. 2023 Sep;143:105464. doi: 10.1016/j.yrtph.2023.105464. Epub 2023 Jul 27. PMID: 37516304."
DOI: 10.23719/1529985
title: Microelectrode Investigation of Iron and Copper Surfaces Aged in Presence of Monochloramine Data Set

description: Data set for manuscript entitled Microelectrode Investigation of Iron and Copper Surfaces Aged in Presence of Monochloramine.
DOI: 10.23719/1530078
title: Cross-species comparison of chemical inhibition of human and Xenopus iodotyrosine deiodinase

description: Supplementary materials for "Olker JH, Korte JJ, Haselman JT, Hornung MW, Degitz SJ. Cross-species comparison of chemical inhibition of human and Xenopus iodotyrosine deiodinase. Aquat Toxicol. 2022 Aug;249:106227. doi: 10.1016/j.aquatox.2022.106227. Epub 2022 Jun 15. PMID: 35767922; PMCID: PMC9887787."

The excel spreadsheet contains the resultant data from an assay for chemical inhibition of amphibian Iodotyrosine Deiodinase (IYD) enzyme activity. 154 chemicals from the EPA’s ToxCast chemical library were tested in concentration-response and these amphibian IYD assay results were compared to those from the human IYD inhibition assay reported in Olker et al. 2021 (doi:10.1016/j.tiv.2020.105073). The same set of 154 chemicals were tested in both assays and compared here. This data set the median, minimum, and maximum inhibition produced at each concentration for each tested chemical. A model inhibitor (3-Nitro-L-Tyrosine) was included on each plate as a positive control, with concentration response data for those curves also included in the data set.
DOI: 10.23719/1530099
title: Narragansett  Bay hypoxia history core Pb210 dating

description: Prep and counting data and calculations used for radiochemical dating of sediment core samples
DOI: 10.23719/1530278
title: Hepatic Transcriptome Comparative In Silico Analysis Reveals Similar Pathways and Targets Altered by Legacy and Alternative Per- and Polyfluoroalkyl Substances in Mice

description: Dataset for Robarts et al., 'Hepatic Transcriptome Comparative In Silico Analysis Reveals Similar Pathways and Targets Altered by Legacy and Alternative Per- and Polyfluoroalkyl Substances in Mice' published in Toxics, DOI https://doi.org/10.3390/toxics11120963, PMCID 10748317
DOI: 10.23719/1530975
title: Improving predictions of compound amenability for liquid chromatography-mass spectrometry to enhance non-targeted analysis

description: Twelve supplementary files from the manuscript "Improving predictions of compound amenability for liquid chromatography-mass spectrometry to enhance non-targeted analysis".
DOI: 10.23719/1531081
title: Renewable Energy Waste Management: Solar Panel Circular Economy-metadata entyr

description: The rapid proliferation of solar energy adoption presents a substantial environmental challenge concerning end-of-life solar panels. A primary issue involves the presence of hazardous materials like cadmium and lead in these panels [2]. Proper handling and disposal of these toxic materials are imperative to prevent environmental contamination and health risks. Furthermore, inadequate recycling infrastructure in various regions results in a significant portion of panels ending up in landfills, leading to the wastage of valuable materials and environmental harm. To surmount these challenges, the implementation of recycling technologies is crucial. This includes designing panels for easy material recovery and establishing comprehensive regulations and policies that incentivize recycling practices and ensure responsible disposal.

Embracing a circular economy approach proves beneficial in mitigating the escalating concerns surrounding solar panel waste. This strategy embodies a sustainable and environmentally friendly methodology for the entire life cycle of solar panels. When solar panels reach the end of their operational life, adopting this approach involves their collection and disassembly to retrieve valuable materials like silicon, glass, and metals. These reclaimed materials can then be utilized by manufacturers to produce new panels, thereby diminishing reliance on virgin resources and mitigating the environmental impact associated with mining and production. Figure AA illustrates the schematic diagram of the circular economy approach for managing end-of-life solar panels. By fostering efficient collection and recycling systems, this approach ensures that aging panels are not discarded as waste but rather transformed into valuable sources for new solar panel production. This reduction in the demand for virgin resources contributes to addressing the environmental challenges posed by the industry.
DOI: 10.23719/1531088
title: Lake_chlorophyll-a_upstream nutrients_CONUS

description: Publicly available data used to generate manuscript figures
DOI: 10.23719/1531676
title: USEEIO Models with Import Emission Factors for Greenhouse Gases for 2017-2022 from EXIOBASE coupled model

description: These data are fully described in the associated EPA report. 
The Import Shares (ISs) are provided in a single Excel file covering all years. 
The Import Emission Factors (IEFs) are provided in csv files by year and by level of commodity classification, with names starting with "US_detail_import_factors" for detail-level commodity classification and "US_summary_import_factors"  for summary-level commodity classification. 
USEEIO models (v2.3) with these IEFs were built using useeior v1.6.0 and written out to Excel files.  Import emission factors are incorporated into these USEEIO models where they are further transformed into producer price and found in the M_n sheet of the model Excel files. Table 6 in the report shows year and level of commodity classification for each model along with which IEF file is used. 
The files with model names ending in *.yml are the model specification files for each of the published models.
Correspondence files are provided that are used to (1) map EXIOBASE commodities to USEEIO commodities, (2) map BEA service category data to USEEIO sectors, and (3) map EXIOBASE Country/Region to BEA Service, Census Goods and TiVA trade regions.

Data dictionaries for file types:

1. USEEIO models (Excel) - https://github.com/USEPA/useeior/blob/v1.6.0/format_specs/Model.md
2. Model spec files  https://github.com/USEPA/useeior/blob/v1.6.0/format_specs/ModelSpecification.md
3. Import shares  - Data dictionary found in file
4. Import Emission Factors (csv) - https://github.com/USEPA/USEEIO/blob/6cdd903fe5be58941c833f4cf585313f7e40d2a7/import_factors_exio/README.md
5. Correspondence files - https://github.com/USEPA/USEEIO/blob/fe48b5bc79ca994624838ce3b8171b9c65b691e2/import_factors_exio/concordances/README.md
DOI: 10.23719/1531725
title: Kaldy-underlying data for application of NPI to tropical seagrasses

description: Seagrass biomass, percent N, percent phosphorus, isotope ratios, and NPI calculations, sediment nutrient data, water column nutrient data.
DOI: 10.23719/1531933
title: National Rivers and Streams Assessment 2013/2014 Data files for Report "National Rivers and Streams Assessment 2013-2014: A Collaborative Survey"

description: The National Rivers and Streams Assessment (NRSA) is a statistical survey of the condition of our nation's perennial rivers and streams. It is designed to provide information on the extent of flowing waters that support healthy biological condition and recreation, estimate how widespread major stressors are that impact the nation’s rivers and streams water quality, and provide insight into whether rivers and streams nationwide are getting cleaner.

This dataset is an archived (zipped) file comprised of chemical, physical and biological files used in developing the NRSA (2013/2014) report. Sampling was conducted over two summer index periods (June through September 2013 and 2014) at approximately 2000 sites in the conterminous U.S. Sites were selected using a statistical survey (probabilistic) design. The files include water chemistry, benthic macroinvertebrates, fish assemblage, physical habitat, landscape metrics, enterococci, etc. Users are encouraged to visit the NARS data webpage for updates to data files and data from other surveys. https://www.epa.gov/national-aquatic-resource-surveys/data-national-aquatic-resource-surveys
Citation for the NRSA 2013/2014 archived data: U.S. Environmental Protection Agency. National Aquatic Resource Surveys. National Rivers and Streams Report. Archived Data. (INSERT data and metadata files used). Available from U.S. EPA web page: https://www.epa.gov/national-aquatic-resource-surveys/reports-and-data-national-rivers-and-streams-assessment-2013-2014. 

EPA encourages users who are publishing subsets of the data (say as part of a journal article publication) to include the above citation. EPA also encourages users of the data to include the following acknowledgement: “The National Rivers and Streams Assessment 2013/2014 data were a result of the collective efforts of dedicated field crews, laboratory staff, data management and quality control staff, analysts and many others from EPA, states, tribes, federal agencies, universities, and other organizations. Please contact nars-hq@epa.gov with any questions.”

Additional information: NRSA is part of the National Aquatic Resource Surveys, an EPA/State/Tribal partnership. The National Aquatic Resource Surveys (NARS) are statistical surveys designed to assess the status of and changes in quality of the nation’s coastal waters, lakes and reservoirs, rivers and streams, and wetlands. Using sample sites selected at random, these surveys provide a snapshot of the overall condition of the nation’s water. Because the surveys use standardized field and lab methods, we can compare results from different parts of the country and between years. Citation information for this dataset can be found in Data.gov's References section.
DOI: 10.23719/1531976
title: Ozone Sperm

description: Data from "Episodic ozone exposure in Long-Evans rats has limited effects on cauda sperm motility and non-coding RNA populations"
DOI: 10.23719/1532047
title: ScienceHub file for multi-tissue transcriptomic and metabolomic response to inhaled ozone

description: These data are published in a manuscript entitled Multi-tissue transcriptomic and serum metabolomic assessment reveals systemic implications of acute ozone-induced stress response in male Wistar Kyoto rats in the journal Metabolomics. This analyses explored systemic transcriptomic and circulating metabolomic effects of inhaled ozone exposure in rats.
DOI: 10.23719/1532060
title: Landfill Workface ES&T Publication

description: Datasets from Carbon Mapper portal finding 
 there is a need for wider availability of site specific
geospatial and time-resolved information (e.g., locations
of gas collection wells and time-series of well downtime) to
identify the methodological changes needed to better account
for work face emissions in current emissions models.
DOI: 10.23719/1532112
title: Sivaganesan etal 20xx_Data Set

description: Data set includes measurements used to generate Figures 1, 2, 3, and 4.
DOI: 10.23719/1532114
title: Social isolation exacerbates acute ozone inhalation induced pulmonary and systemic health outcomes

description: Excel file with individual sample data
DOI: 10.23719/1532124
title: dicyclohexyl phthalate fetal testis gene expression data

description: dicyclohexyl phthalate fetal testis data
DOI: 10.23719/1532148
title: Polychlorinated Biphenyls Mixtures Similarity Tool (MiST)

description: The PCB Mixtures Similarity Tool (MiST) is an Excel-based tool that automates the process for determining whether two PCB mixtures are "sufficiently similar". Humans are exposed to complex mixtures of PCBs in the environment; however, only a small subset of PCB mixtures has been tested for toxicity. MiST was developed as a tool for risk assessors to evaluate how dose-response information for tested PCB mixtures may serve as a surrogate when assessing untested mixtures found in the environment.