cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.23719/1531030
title: National and Sub-national US Climate Assessment Metadata V1 (through October 2023)

description: This spreadsheet contains data about climate assessments published in the United States, including the Fifth National Climate Assessment and sub-national reports published by states, territories, and the District of Columbia. It includes the results of a search for the most recent version of assessment reports published (up until Nov. 2023), content categories applied to assessment chapters, and whether chapters contain theory methods or data from the social sciences, author expertise, and a typology of producing organizations.
DOI: 10.23719/1531089
title: Cross-species molecular docking method to support predictions of species susceptibility to chemical effects

description: The advancement of protein structural prediction tools, exemplified by AlphaFold and Iterative Threading ASSEmbly Refinement, has enabled the prediction of protein structures across species based on available protein sequence and structural data. In this study, we introduce an innovative molecular docking method that capitalizes on this wealth of structural data to enhance predictions of chemical susceptibility across species. We demonstrated this method using the androgen receptor as a pertinent modulator of endocrine function. By using protein structures, this method contextualizes species susceptibility within a functional framework and helps to integrate molecular docking into the repertoire of New Approach Methodologies (NAMs) that support the Next-Generation Risk Assessment (NGRA) paradigm through the novel integration of various open-source tools.
DOI: 10.23719/1531143
title: Supply Chain Greenhouse Gas Emission Factors v1.3 by NAICS-6

description: The datasets comprise greenhouse gas (GHG) emission factors (Factors) for 1,016 U.S. commodities as defined by the 2017 version of the North American Industry Classification System (NAICS). The Factors are based on GHG data for 2022. Factors are given for all NAICS-defined commodities at the 6-digit level except for electricity, government, and households. Each record consists of three factor types as in the previous releases: Supply Chain Emissions without Margins (SEF), Margins of Supply Chain Emissions (MEF), and Supply Chain Emissions with Margins (SEF+MEF). One set of Factors provides kg carbon dioxide equivalents (CO2e) per 2022 U.S. dollar (USD) for all GHGs combined using 100-yr global warming potentials from IPCC 5th report (AR5) to calculate the equivalents. In this dataset there is one SEF, MEF and SEF+MEF per commodity. The other dataset of Factors provides kg of each unique GHG emitted per 2022 dollar per commodity without the CO2e calculation. The dollar in the denominator of all factors uses purchaser prices. See the supporting file 'Aboutv1.3SupplyChainGHGEmissionFactors.docx' for complete documentation of this dataset.
DOI: 10.23719/1531458
title: Changes in CpG Methylation of the Vitellogenin 1 Promoter in Adult Male Zebrafish after Exposure to 17α-Ethynylestradiol

description: The instructions for analysis are described in Kolli et al. (2019) along with a sample Illumina sequence file available with a ready-to-run VirtualMachine that can also be accessed at http://toxicology.uga.edu/resources/dna_methylation_analysis/. Supporting data for sequencing and qPCR raw data are available at https://doi.org/10.5281/zenodo.8313356, sharing qPCR raw data files for the endpoint for male and female fish from CFX Manger (Ver. 3.0), qPCR quantification data, TGBS raw sequences, and a TGBS metadata file with sample information.
DOI: 10.23719/1531726
title: Developmental toxicity of PFO4DA and PFO5DoA assessed using hepatic transcriptomics and serum metabolomics

description: Production of per- and polyfluoroalkyl substances (PFAS) has shifted from long-chain perfluoroalkyl acids to short-chain compounds and those with ether bonds in the carbon chain. Next-generation perfluoroalkylether PFAS include HFPO-DA (“GenX chemicals”), Nafion Byproducts, and the PFOx homologous series that includes perfluoro-3,5,7,9-butaoxadecanoic acid (PFO4DA) and perfluoro-3,5,7,9,11-pentaoxadodecanoic acid (PFO5DoA). PFO4DA and PFO5DoA have been detected in serum and/or tissues from humans and wildlife proximal to contamination point sources. However, toxicity data are extremely limited, with no animal developmental toxicology data. To address these data gaps, pregnant Sprague-Dawley rats were exposed via oral gavage to vehicle, PFO4DA, or PFO5DoA across a series of doses (0.1 to 62.5 mg/kg/day) from gestation day (GD) 18–22. Hepatic transcriptomics were assayed in dams and fetuses, and serum metabolomics in dams. These data were overlaid with serum PFO4DA and PFO5DoA concentrations to perform dose-response modeling. Both dams and fetuses exhibited dose-responsive disruption of hepatic gene expression in response to PFO4DA or PFO5DoA, with fetal expression disrupted at lower doses than dams. Several differentially expressed genes were upregulated by every dose of PFO5DoA in both maternal and fetal samples, including genes encoding enzymes that hydrolyze acyl-coA to free fatty acids. Maternal serum metabolomics revealed PFO4DA exposure did not induce significant changes at any tested dose, whereas PFO5DoA exposure resulted in dose-dependent differential metabolite abundance for 149 unique metabolites. Multi-omics pathway analyses of integrated maternal liver transcriptomics and serum metabolomics revealed significant convergent changes as low as 3 mg/kg/d PFO4DA and 0.3 mg/kg/d PFO5DoA exposure. Overall, transcriptomic and metabolomic effects of PFO4DA and PFO5DoA appear consistent with other carboxylic acid PFAS, with primary changes related to lipid metabolism, bile acids, cholesterol, and cellular stress. Importantly, PFO5DoA exposure more potently induced changes in maternal and fetal hepatic gene expression and maternal circulating metabolites, despite high structural similarity. Further, we report in vitro PPARα and PPARγ receptor activation for both compounds as putative molecular mechanisms. This work demonstrates the potential developmental toxicity of alternative moiety perfluoroethers and highlights the developing liver as particularly vulnerable to transcriptomic disruption.
DOI: 10.23719/1531740
title: Food Waste Management Life Cycle Inventory Tool v1.0.0

description: This Excel-based life cycle inventory (LCI) model develops LCI data for management of wasted food via anaerobic digestion (AD), windrow and aerated static pile (ASP) composting, landfilling and incineration. The inventory model is run for the following scenario options:
     >AD biogas fate: flare, combined heat and power (CHP) and renewable natural gas (RNG)
     >Landfill gas fate: flare, electric engine, and RNG
     >Compost method: windrow and ASP
     >Incineration technology: Grate furnace - mass burn
     >Digestate management: compost + land application, land application of whole digestate and digestate
     landfilling
     >Land application modeling is limited to avoided fertilizer credits and carbon sequestration benefit. 
       Estimating emissions associated with land application is beyond the scope of this model. Implicitly, 
       emissions associated with compost and digestate are assumed to be equivalent to those from avoided 
       synthetic fertilizer, leading to a net zero change in impact when changing nutrient sources.

The output is stored in the 'LCI' tab which can be exported into a csv or other text-based file. Definitions for the field names in the LCI sheet is included in the 'LCI Key' tab.
DOI: 10.23719/1531742
title: Ammonium Perchlorate - Serum dosimetry, neurotoxicity and resilience of the neonatal rat thyroid system

description: Perchlorate is an environmental contaminant that interferes with iodine uptake via the NIS transporter into the thyroid gland, reducing thyroid hormone (TH) synthesis. As adequate supplies of TH are essential for brain development, exposures to perchlorate during pregnancy have raised concern for the developing brain. This paper describes the effects of exposure of pregnant rat dams to a classic chemical NIS inhibitor, perchlorate, on serum, thyroid gland and brain in the dam and pup. declines were observed in the newborn pup. TH were also reduced in the newborn pup brain, but both serum and brain hormones quickly recovered by PN2 despite continued maternal exposure.  Gene expression changes in the gland revealed dramatic increases in expression of Nis, serum perchlorate concentrations fell, and large increases in serum TSH were evident. Combined, these events contributed to rapid recovery of serum markers in the early postnatal period. Despite full recovery of serum and brain hormones, significant reductions in a number of molecular markers of TH-action remained in the cortex and hippocampus of the PN14 pup brain. The findings provide for the first-time quantitative information collected in the same study for thyroid hormones in the thyroid gland, serum, and brain. They provide essential quantitative data to reduce uncertainties in development of Physiologically Based Pharmacokinetic (PBPK), Biologically Based Dose Response (BBDR), and Quantitative Adverse Outcome (qAOP) models of thyroid disruption and neurodevelopment. They demonstrate the remarkable resilience of the neonatal thyroid gland to NIS inhibition and support the use of Comparative Thyroid Assay (CTA) for identifying thyroid system disrupting chemicals. They indicate that the postnatal rat may be much less sensitive to the neurological effects of TH insufficiency relative to humans based on species differences in the timing of brain development.
DOI: 10.23719/1531760
title: Metadata Dictionary Describing Data to Model a Chemical's Conditions of Use

description: This data dictionary describes relevant fields from secondary data sources that can assist with modeling the conditions of use for a chemical when performing a chemical assessment. Information on how to access the secondary data sources are included.
DOI: 10.23719/1531792
title: Sex-Linked Changes in Biotransformation of Phenol in Brook Trout (Salvelinus fontinalis) over an Annual Reproductive Cycle

description: Dataset for "Kolanczyk, R.C.; Solem, L.E.; Tapper, M.A.; Hoffman, A.D.; Sheedy, B.R.; Schmieder, P.K.; McKim, J.M., III. Sex-Linked Changes in Biotransformation of Phenol in Brook Trout (Salvelinus fontinalis) over an Annual Reproductive Cycle. Fishes 2024, 9, 311. https://doi.org/10.3390/fishes9080311"
DOI: 10.23719/1531795
title: In Vitro Hepatic Clearance Evaluations of Per- and Polyfluoroalkyl Substances (PFAS) across Multiple Structural Categories

description: Dataset for "Crizer, D.M.; Rice, J.R.; Smeltz, M.G.; Lavrich, K.S.; Ravindra, K.; Wambaugh, J.F.; DeVito, M.; Wetmore, B.A. In Vitro Hepatic Clearance Evaluations of Per- and Polyfluoroalkyl Substances (PFAS) across Multiple Structural Categories. Toxics 2024, 12, 672. https://doi.org/10.3390/toxics12090672"
DOI: 10.23719/1531817
title: Characteristics of precipitation, streamflow, and sediment transport of the Hangman Creek in the Pacific Northwest USA: implication for agricultural conservation practice implementation

description: Data collected from various sources as summarized in Table 2 in the paper
DOI: 10.23719/1531861
title: VOC and NOx photooxidation mutagenicity data

description: The raw mutagenicity data for experiments initiated with VOC + UV and NOx (Figure 1).  The data are the number of mutant colonies (called revertants or rev) per petri plate of strain TA100 of Salmonella using the Salmonella (Ames) mutagenicity assay.  
Rev hr-1 figures were normalized to to non-precursor VOC concentrations by determining the difference between initial and final precursor concentrations (e.g., the delta Hydrocarbon for each precursor), in micrograms carbon m-3 (see Table 1).  This SOC yield was then used to subtract off product concentrations lost to the particle phase.  The remaining concentration was then considered to be the Estimated Gas-Phase Product Concentration.  Mutagenic potencies, in rev hr-1, were divided by the Estimated Gas-Phase Product Concentration, to give normalized mutagenicic potencies in rev m3 hr-1 mgC-1.
DOI: 10.23719/1531882
title: Dataset supporting "Comparison of ozone formation attribution techniques in the northeastern United States"

description: The Integrated Source Apportionment Method (ISAM) has been revised in the Community Multiscale Air Quality (CMAQ) model. This work updates ISAM to maximize its flexibility, particularly for ozone (O3) modeling, by providing multiple attribution options, including products inheriting attribution fully from nitrogen oxide reactants, fully from volatile organic compound (VOC) reactants, equally
from all reactants, or dynamically from NOx or VOC reactants based on the indicator gross production ratio of hydrogen
peroxide (H2O2) to nitric acid (HNO3). The updated ISAM has been incorporated into the most recent publicly accessible
versions of CMAQ (v5.3.2 and beyond). This study’s primary objective is to document these ISAM updates and
demonstrate their impacts on source apportionment results for O3 and its precursors. Additionally, the ISAM results are
compared with the Ozone Source Apportionment Technology (OSAT) in the Comprehensive Air-quality Model with
Extensions (CAMx) and the brute-force method (BF).
DOI: 10.23719/1531951
title: Dataset of Regional Prescribed Fire Encounters

description: Data sets used in the analysis presented in the manuscript “Encountering Prescribed Fire: Characterizing the Intersection of Prescribed Fire and Wildfire in the CONUS”.  This data was derived from geospatial data of USDA US Forest Service prescribed fire activity and wildfire activity. The data supporting each of the Figures in the manuscript were provided in a file specific for that Figure. Some figures may have more than one associated file based on the number of panels. Each file is in comma-separated value (csv) format and contains the data used to generate that Figure.
DOI: 10.23719/1531998
title: Fema/CRSI Risk Index

description: Comparison of FEMA and CRSI Risk assessment indices and how to convert from one to the other
DOI: 10.23719/1532132
title: Data for "Updated in-cloud secondary aerosol production in the Northern Hemisphere predicted by the Community Multiscale Air Quality modeling system"

description: Data and CMAQ code associated with manuscript, "Updated in-cloud secondary aerosol production in the
Northern Hemisphere predicted by the Community Multiscale Air Quality modeling system "
DOI: 10.23719/1529835
title: Estimates of lake nitrogen, phosphorus, and chlorophyll-a concentrations to characterize harmful algal bloom risk across the United States

description: The objective of this research was to predict nutrient, chlorophyll-a, and associated harmful algal bloom, hypoxia, and eutrophication effects in US lakes. This research used nutrient and chlorophyll-a concentration data from the National Lakes Assessment (NLA), soil, landcover, and landscape characteristic data from LakeCat, landscape nutrient data from the National Nutrient Inventory (NNI), nutrient deposition data from the National Atmospheric Deposition Program (NADP), climate data from PRISM, landscape ecosystem data from the Earth Observatory Network (EON), and lake depth data from LAGOS and the National Hydrography Dataset (NHD). Prediction data of total nitrogen, total phosphorus, and chlorophyll-a concentrations were summarized at the catchment and lake watershed scales.
DOI: 10.23719/1530083
title: Mercury Isotope Values in Shoreline Spiders Reveal the Transfer of Aquatic Mercury Sources to Terrestrial Food Webs

description: Supporting information for "Janssen SE, Kotalik CJ, Eagles-Smith CA, Beaubien GB, Hoffman JC, Peterson G, Mills MA, Walters DM. Mercury Isotope Values in Shoreline Spiders Reveal the Transfer of Aquatic Mercury Sources to Terrestrial Food Webs. Environ Sci Technol Lett. 2023 Sep 13;10(10):891-896. doi: 10.1021/acs.estlett.3c00450. PMID: 37840816; PMCID: PMC10569030."
DOI: 10.23719/1530867
title: Collocation Shelter Design Documents

description: This file contains design documents (pdf and dwg) that could be provided to a fabricator to build air sensor collocation shelters.
DOI: 10.23719/1531746
title: Measuring the Effect of Brownfield Remediation and Redevelopment on Housing Price in Fulton County, GA

description: This dataset provides information on home sale prices, parcel characteristics, distance of parcels to contaminated sites, distance of parcels to parks, block-group etc
DOI: 10.23719/1531781
title: Biomonitoring of emerging fluoroethers in wildlife and pets in North Carolina

description: Data files and code used to process data for the study all wrapped into a single HTML file
DOI: 10.23719/1531788
title: Assessment of Emerging Pathogens and Antibiotic Resistance Genes in the Biofilm of Microplastics Incubated Under a Wastewater Discharge Simulation

description: Selected bacterial, and antibiotic resistance genes sul and INTI1 concentrations by qPCR assays, and ASV tables of bacterial communities growing in biofilms incubated in river -and wastewater treatment plant effluent amended -river water.
DOI: 10.23719/1531819
title: Fluorescence-based detection of bacteria and untreated wastewater in an urban river during stormflow and baseflow: Turbidity corrections and comparison of in situ and laboratory sensors

description: Twenty four months of daily water quality results (Daily sediment loads, concentrations of Fecal Indicator Bacteria)  will be made available electronically and shared with public via the IBWC GIS-based website (https://usibwc.maps.arcgis.com/apps/webappviewer/index.html?id=7be2cf73494c4847ab44718492c48315).
DOI: 10.23719/1531972
title: Tolt Report Animations

description: Animation for Tolt North Fork Snow, Soil Moisture, Streamflow (mp4) 
Animation for Tolt River Floodplain Irradiance
DOI: 10.23719/1531989
title: CMAQ model data provided by EPA/ORD researchers for Makar et al. (2025) paper. Model data at monitoring stations, gridded annual deposition fields, and gridded monthly median diurnal deposition diagnostics.

description: This dataset contains the CMAQ model data provided by EPA/ORD researchers for the Makar et al. (2025) paper. It includes CMAQ model data extracted at monitoring stations, CMAQ gridded annual deposition fields, and CMAQ gridded monthly median diurnal deposition diagnostics. The extracted data at monitoring stations is provided in csv text format while the gridded data is provided in netcdf files.
DOI: 10.23719/1531995
title: Moorhead_etal2025_ES&TWater

description: Input csvs containing P and N inventories by HUC8, kgPN from fire retardants per HUC8 x year
R code for compiling and matching inputs
Output csvs for comparing fire retardant P to P deposition and fire retardant N to N deposition
DOI: 10.23719/1532017
title: marsh_sediment_placement_raw_data_for_marsh_resiliency_technique

description: Vegetation, soil, and greenhouse gas data collected between 2019 - 2022 from control and restored southern RI coastal marshes
DOI: 10.23719/1532032
title: Continuous Water Quality Monitoring Dataset from Tillamook Bay, OR; 2017-2023

description: Tillamook Estuary, OR continuous water quality monitoring dataset: 2017-2023
DOI: 10.23719/1532118
title: AHHS Dust PFAS NTA

description: 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.
DOI: 10.23719/1532145
title: Masking Behavior and Face Size Assessment in the General Public

description: This dataset contains information regarding disposable mask usage and behaviors in theoretical scenarios where an individual is exposed to air pollution and air quality emergencies. It also contains information on self-assessed craniofacial size, an important determinant of mask efficiency.
DOI: 10.23719/1532171
title: GLISSNet2021

description: Amplicon sequence variants from benthic and zooplankton samples generated using COI primers
DOI: 10.23719/1532172
title: San Juan Watershed Lead Isotope Data

description: The U.S. Environmental Protection Agency characterized sediments and seeps/springs in the San Juan watershed located in southwestern Colorado and the four corners region of Colorado, New Mexico, Arizona, and Utah (western United States). The Datasets contain field and laboratory data that resulted from that sampling. Samples for this project were collected from 2018 to 2021. Results of new Pb isotope ratio measurements are provided for sediments (n = 96) collected from across the watershed and seeps/springs (n = 73) from the mineralized headwaters region of the watershed. The Microsoft Excel spreadsheets contain sample data and Quality Control data, including results of primary standards, second source standards, and sample duplicate analyses.
DOI: 10.23719/1532219
title: Exposure System Acceptance Test

description: This report details the acceptance test performed on the exposure system created for the MASKON project. This system allows for air to be filtered by any sorbent material and then directly delivered to participants respiratory zone with little loss of volatile compounds and particulate matter. In addition, this novel system permits moderate to high levels of exercise to be performed during exposure.