cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.23719/1518701
title: Tox21BodyMap: A webtool to map chemical effects on the human body

description: This manuscript describes development of a novel tool called Tox21BodyMap. This tool is designed to map biological assay data onto organs of the human body, facilitating predictions between chemical exposure and apical effects. Tox21BodyMap maps chemical effects to biological target tissues uses tissue-specific gene expression and high throughput screening data. High throughput screening sources includes ToxCast and Tox21. Tox21BodyMap is a freely available, online tool.
DOI: 10.23719/1518709
title: Nontarget Screening of Per- and Polyfluoroalkyl Substances Binding to Human Liver Fatty Acid Binding Protein 

description: Current studies on nontarget analysis and toxicities of PFASs are disconnected, due to the challenges posed by the large numbers (>1,000) and diverse structures of PFASs. The SECC method provides a high-throughput experimental way to tackle the challenge of prioritizing PFASs according to key proteins, especially when their authentic standards are not available. While this study is focused on hL-FABP due to its critical role in regulating the toxicokinetics of PFASs, the protein-centric method could also be adapted to screen PFASs binding to other key proteins, such as PPARs. Computational toxicology is the predominant strategy for high-throughput predictions of toxicities of chemical contaminants.
DOI: 10.23719/1519134
title: Regional and urban-scale environmental influences of oceanic DMS emissions over coastal China seas

description: Model simulations were performed at Fudan University, China. EPA does not have any data associated with the article.
DOI: 10.23719/1519250
title: Metadata for Wild Rice HIA Data Summary

description: This is a summary of the community input to the Fond du Lac Band of Lake Superior Chippewa's health impact assessment to inform their baseline health assessment.
DOI: 10.23719/1504180
title: OPERA models for predicting physicochemical properties and environmental fate endpoints

description: For the purpose of this modeling study, extensive curation work was conducted on 13 publicly available PHYSPROP physicochemical property and environmental fate datasets.The dataset supporting the conclusions of this article are available within the article and its additional file as well as OPERA’s Github repository (https://github.com/kmansouri/OPERA) and the EPA’s ftp site: https://figshare.com/s/6fa1babbc9a0e9560317.
DOI: 10.23719/1518537
title: Toward an AOP Network-based tiered testing strategy for the assessment of thyroid hormone disruption

description: No novel data were reported in association with this product.
DOI: 10.23719/1505445
title: Tree cover and allostatic load 

description: The dataset contains results of questionnaire surveys including demographic, socioeconomic data and health/medical information, residential addresses, geographic coordinates of residential addresses, estimates of tree cover and vegetated land cover within 1 km of residence, results of laboratory analyses of blood samples from study participants for biomarkers of allostatic load, and allostatic load estimates.
DOI: 10.23719/1517655
title: VOC emission data in a simulated vehicle cabin environment based on small-scale chamber tests

description: The data include: (1) Detailed test material dimensions and experimental conditions; (2) Determined key emission parameters for six VOCs in five vehicle cabin materials at different temperatures; (3)Change in key emission parameters with the increase of temperature; (4) figures with comparison between the model prediction and experimental data.
DOI: 10.23719/1518652
title: JRII-S Dataset

description: The sonic data within the building array is composed of 26 days of 30-minute average data from 30 sonic anemometers. The unobstructed tower sonic data is also the same, but of the 5 heights of the tower. The data files have 48 columns associated with date and time identifiers as well as meteorological turbulence measurements.
DOI: 10.23719/1503431
title: The dataset contains PII

description: These data are interview transcripts with individuals who are users of the Smoke Sense app.
DOI: 10.23719/1517619
title: Utah Lake Cyanobacterial Satellite Economic Case Study

description: Utah Lake Cyanobacterial Satellite Economic Case Study
DOI: 10.23719/1433828
title: WRF-ACI-Paper-2

description: all data are in netCDF format for all figures and tables
DOI: 10.23719/1519038
title: EPA June 2012 12km Continental US (CONUS) Bidirectional CMAQ v5.0.2 Simulations

description: This work is the first of a two‐part study that aims to develop a computationally efficient bias correction framework to improve surface PM2.5 forecasts in the United States. Here, an ensemble‐based Kalman filter (KF) technique is developed primarily for nonrural areas with approximately 500 surface observation sites for PM2.5 and applied to three (GEOS‐Chem, WRF‐Chem, and WRF‐CMAQ) chemical transport model (CTM) hindcast outputs for June 2012. While all CTMs underestimate daily surface PM2.5 mass concentration by 20–50%, KF correction is effective for improving each CTM forecast. Subsequently, two ensemble methods are formulated: (1) the arithmetic mean ensemble (AME) that equally weights each model and (2) the optimized ensemble (OPE) that calculates the individual model weights by minimizing the least‐square errors. While the OPE shows superior performance than the AME, the combination of either the AME or the OPE with a KF performs better than the OPE alone, indicating the effectiveness of the KF technique. Overall, the combination of a KF with the OPE shows the best results. Lastly, the Successive Correction Method (SCM) was applied to spread the bias correction from model grids with surface PM2.5 observations to the grids lacking ground observations by using a radius of influence of 125 km derived from surface observations, which further improves the forecast of surface PM2.5 at the national scale. Our findings provide the foundation for the second part of this study that uses satellite‐based aerosol optical depth (AOD) products to further improve the forecast of surface PM2.5 in rural areas by performing statistical analysis of model output.
DOI: 10.23719/1503815
title: Sunburn among Beachgoers in the United States

description: Over 50,000 individual level data of behaviors, illnesses, demographics from beachgoers  across the United States.
DOI: 10.23719/1519341
title: Contribution of Particulate Nitrate Photolysis to Heterogeneous Sulfate Formation for Winter Haze in China

description: Nitrate and sulfate are two key components of airborne particulate matter (PM). While multiple formation mechanisms have been proposed for sulfate, current air quality models commonly underestimate its concentrations and mass fractions during northern China winter haze events. On the other hand, current models usually overestimate the mass fractions of nitrate. Very recently, laboratory studies have proposed that nitrous acid (N(III)) produced by particulate nitrate photolysis can oxidize sulfur dioxide to produce sulfate. Here, for the first time, we parameterize this heterogeneous mechanism into the state-of-the-art Community Multi-scale Air Quality (CMAQ) model and quantify its contributions to sulfate formation. We find that the significance of this mechanism mainly depends on the enhancement effects (by 1–3 orders of magnitude as suggested by the available experimental studies) of nitrate photolysis rate constant ("J" _(〖"NO" 〗_"3" ^- )) in aerosol liquid water compared to that in the gas phase. Comparisons between model simulations and in-situ observations in Beijing suggest that this pathway can explain about 15% (assuming an enhancement factor (EF) of 10) to 65% (assuming EF = 100) of the model–observation gaps in sulfate concentrations during winter haze. Our study strongly calls for future research on reducing the uncertainty in EF.
DOI: 10.23719/1518498
title: NWCA Survey Design

description: The 4 resource surveys (coastal, rivers and streams, lakes and reservoirs, and wetlands) each have datasets covering the biological, chemical, physical habitat, hydrologic and watershed data.
DOI: 10.23719/1503026
title: NARS Hydrologic Data

description: Lake hydrologic characteristics derived from water stable isotope values that include evaporation-to-inflow ratio and water residence time.
DOI: 10.23719/1518724
title: Water demand data and distribution network 

description: Observed and modeled water demand variations in a city's drinking water distribution system.
DOI: 10.23719/1519420
title: Calculation of emission factors used in publication of coastal wetland management as a contribution to the US National Greenhouse Gas Inventory

description: The calculation of emissions factors used to estimate carbon stock changes for coastal wetland areas in the US.
DOI: 10.23719/1503701
title: RJudson_Mansouri_CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

description: Data and supplemental files from COMPARA (A large-scale modeling project). COMPARA combined multiple models developed in collaboration with modelers and computational toxicology scientists from 25 international groups to predict androgen receptor activity of a common set of 55,450 chemical structures. Quantitative structure-activity relationship models and docking approaches were employed to build a total of 91 predictive models for binding, agonist, and antagonist. The consensus values for agonist and antagonist activity are being made public through the CompTox Chemicals Dashboard.
DOI: 10.23719/1518722
title: An automated common algorithm for planetary boundary layer retrievals using aerosol lidars in support of the U.S. EPA Photochemical Monitoring Assessment Program

description: Ceilometers are devices for measuring and recording the height of clouds using laser based LiDAR technologies. They also can measure the height of planetary boundary layer (PBL), which is the lowest layer in the atmosphere directly influenced by the Earth’s surface. This dataset consists of retrievals from an automated planetary boundary layer (PBL) algorithm. This algorithm is proposed as a common cross-platform method for use with commercially available ceilometers. For additional assistance in access and interpreting the data please contact the listed authors.
DOI: 10.23719/1503437
title: The association between environmental quality and diabetes in the U.S. 

description: Population-based county-level estimates for diagnosed (DDP), undiagnosed (UDP), and total diabetes prevalence (TDP) were acquired from the Institute for Health Metrics and Evaluation (IHME) for the years 2004-2012 (Evaluation 2017). Prevalence estimates were calculated using a two-stage approach. The first stage used National Health and Nutrition Examination Survey (NHANES) data to predict high fasting plasma glucose (FPG) levels (≥126 mg/dL) and/or hemoglobin A1C (HbA1C) levels (≥6.5% [48 mmol/mol]) based on self-reported demographic and behavioral characteristics (Dwyer-Lindgren, Mackenbach et al. 2016). This model was then applied to Behavioral Risk Factor Surveillance System (BRFSS) data to impute high FPG and/or A1C status for each BRFSS respondent (Dwyer-Lindgren, Mackenbach et al. 2016). The second stage used the imputed BRFSS data to fit a series of small area models, which were used to predict the county-level prevalence of each of the diabetes-related outcomes (Dwyer-Lindgren, Mackenbach et al. 2016). Diagnosed diabetes was defined as the proportion of adults (age 20+ years) who reported a previous diabetes diagnosis, represented as an age-standardized prevalence percentage. Undiagnosed diabetes was defined as proportion of adults (age 20+ years) who have a high FPG or HbA1C but did not report a previous diagnosis of diabetes. Total diabetes was defined as the proportion of adults (age 20+ years) who reported a previous diabetes diagnosis and/or had a high FPG/HbA1C. The age-standardized diabetes prevalence (%) was used as the outcome.

The EQI was constructed for 2000-2005 for all US counties and is composed of five domains (air, water, built, land, and sociodemographic), each composed of variables to represent the environmental quality of that domain. Domain-specific EQIs were developed using principal components analysis (PCA) to reduce these variables within each domain while the overall EQI was constructed from a second PCA from these individual domains (L. C. Messer et al., 2014). To account for differences in environment across rural and urban counties, the overall and domain-specific EQIs were stratified by rural urban continuum codes (RUCCs) (U.S. Department of Agriculture, 2015).
DOI: 10.23719/1504075
title: Development and Evaluation of a High Throughput Inhalation Model for Organic Chemicals

description: This investigation was broken down into three interrelated steps: data collection, model building, and model evaluation. R software (v. 3.5.1) with the httk package (v. 1.9) was used for data organization, analysis, and visualization. All models and data associated with this manuscript are available in httk vX.
DOI: 10.23719/1504089
title: Divergent trends in life expectancy across the rural-urban gradient and association with specific racial proportions in the contiguous United States 2000-2005

description: We used individual-level death data to estimate county-level life expectancy at 25 (e25) for Whites, Black, AIAN and Asian in the contiguous US for 2000-2005. Race-sex-stratified models were used to examine the associations among e25, rurality and specific race proportion, adjusted for socioeconomic variables. Individual death data from the National Center for Health Statistics were aggregated as death counts into five-year age groups by county and race-sex groups for the contiguous US for years 2000-2005 (National Center for Health Statistics 2000-2005). We used bridged-race population estimates to calculate five-year mortality rates. The bridged population data mapped 31 race categories, as specified in the 1997 Office of Management and Budget standards for the collection of data on race and ethnicity, to the four race categories specified under the 1977 standards (the same as race categories in mortality registration) (Ingram et al. 2003). The urban-rural gradient was represented by the 2003 Rural Urban Continuum Codes (RUCC), which distinguished metropolitan counties by population size, and nonmetropolitan counties by degree of urbanization and adjacency to a metro area (United States Department of Agriculture 2016). We obtained county-level sociodemographic data for 2000-2005 from the US Census Bureau. These included median household income, percent of population attaining greater than high school education (high school%), and percent of county occupied rental units (rent%). We obtained county violent crime from Uniform Crime Reports and used it to calculate mean number of violent crimes per capita (Federal Bureau of Investigation 2010).
DOI: 10.23719/1506084
title: IWIICI MatSu

description: Index of watershed integrity / Index of catchment integrity scores, along with component index scores and landscape metric values, for NHDPlusHR catchments in the Matanuska-Susitna Basin in Alaska
DOI: 10.23719/1520053
title: A multiphase CMAQ version 5.0 adjoint

description: We present the development of a multiphase adjoint for the Community Multiscale Air Quality (CMAQ) model, a widely used chemical transport model. The adjoint model provides location- and time-specific gradients that can be used in various applications such as backward sensitivity analysis, source attribution, optimal pollution control, data assimilation, and inverse modeling. The science processes of the CMAQ model include gas-phase chemistry, aerosol dynamics and thermodynamics, cloud chemistry and dynamics, diffusion, and advection. Discrete adjoints are implemented for all the science processes, with an additional continuous adjoint for advection. The development of discrete adjoints is assisted with algorithmic differentiation (AD) tools. Particularly, the Kinetic PreProcessor (KPP) is implemented for gas-phase and aqueous chemistry, and two different automatic differentiation tools are used for other processes such as clouds, aerosols, diffusion, and advection. The continuous adjoint of advection is developed manually. For adjoint validation, the brute-force or finite-difference method (FDM) is implemented process by process with box- or column-model simulations. Due to the inherent limitations of the FDM caused by numerical round-off errors, the complex variable method (CVM) is adopted where necessary. The adjoint model often shows better agreement with the CVM than with the FDM. The adjoints of all science processes compare favorably with the FDM and CVM. In an example application of the full multiphase adjoint model, we provide the first estimates of how emissions of particulate matter (PM2.5) affect public health across the US.
DOI: 10.23719/1520080
title: Metadata entry - Inferring changes in summertime surface ozone NOx-VOC chemistry over U.S. urban areas from two decades of satellite and ground-based observations

description: Urban ozone (O3) formation can be limited by NOx, VOCs, or both, complicating the design of effective O3 abatement plans. A satellite-retrieved ratio of formaldehyde to NO2 (HCHO/NO2), developed from theory and modeling, has previously been used to indicate O3 formation chemistry. Here, we connect this space-based indicator to spatiotemporal variations in O3 recorded by on-the-ground monitors over major U.S. cities. High-O3 events vary nonlinearly with OMI HCHO and NO2, and the transition from VOC-limited to NOx-limited O3 formation regimes occurs at higher HCHO/NO2 value (3 to 4) than previously determined from models, with slight intercity variations. To extend satellite records back to 1996, we develop an approach to harmonize observations from GOME and SCIAMACHY that accounts for differences in spatial resolution and overpass time. Two-decade (1996-2016) multisatellite HCHO/NO2 captures the timing and location of the transition from VOC-limited to NOx-limited O3 production regimes in major U.S. cities, which aligns with the observed long-term changes in urban-rural gradient of O3 and the reversal of O3 weekend effect. Our findings suggest promise for applying space-based HCHO/NO2 to interpret local O3 chemistry, particularly with the new-generation satellite instruments that offer finer spatial and temporal resolution.
DOI: 10.23719/1519581
title: Multi-scale availability of neonicotinoid-treated seed for wildlife in an agricultural landscape during spring planting

description: Neonicotinoid pesticides are applied to seeds and are known to cause lethal and sub-lethal effects in birds and mammals. Neonicotinoid-treated seeds could be available to wildlife through spillage or exposed seeds near or at the soil surface due to incomplete or shallow drilling. We quantified seed spills that may occur during loading or refilling the hopper at a landscape-scale using road-based surveys. We also quantified undrilled seeds in 1-m2 frames on the soil in the center and corner of fields to obtain estimates at the field scale. We broadcast seeds on the soil surface of a tilled field and left them for 0, 1, 2, 4, 8, 16, and 30 days to quantify neonicotinoid decrease under field conditions. Lastly, we documented wildlife at neonicotinoid-treated seed spills with trail cameras. We estimated the number of spills during planting to be 3,496 (95%CI: 1,855–5,138) and 2,609 (95%CI: 862–4,357) for corn, 11,009 (95%CI: 6,950–15,067) and 21,105 (95%CI: 6,162–36,048) for soybean, and 830 (95%CI: 160–1,500) and 791 (95%CI: 0–1,781) for wheat in 2016 and 2017, respectively. Exposed seeds were present at the soil surface in 35% of 71 fields. The probability that seeds were present on the soil surface was higher for soybeans (18.8 and 49.4% in the center and corners, respectively) than for corn (1.6 and 2.7%, respectively), and seed densities were also higher (1.04 vs 0.07 seeds/m2, respectively). Neonicotinoids decreased rapidly on seeds on the soil surface but persisted as long as 30 days. Over a dozen species of birds and mammals consumed seeds at simulated spills, with an average time for birds to find spills of 1.3 ± 1.5 days and an average time to consumption of 4.1 ± 3.4 days. Seeds are abundant on the soil surface for wildlife to consume during the spring planting season and should be considered in pesticide risk assessments.
DOI: 10.23719/1518556
title: Variability in in vivo studies: Defining the upper limit of performance for predictions of systemic effect levels (ORD-034452)

description: The data used are from curation of legacy studies and stored in ToxRefDB
DOI: 10.23719/1519194
title: SARS-CoV-2 decay

description: Decay rates of SARS-CoV-2 and murine hepatitis virus
DOI: 10.23719/1518773
title: Watershed modeling and MODIS data integration

description: Watershed modeling and MODIS data integration
DOI: 10.23719/1520149
title: Effect of Polyoxymethylene (POM-H Delrin) offgassing within Pandora head sensor on direct sun and multi-axis formaldehyde column measurements in 2016–2019

description: Formaldehyde column data from the Pandora spectrometer collected during the KORUS-AQ field campaign.
DOI: 10.23719/1519008
title: Metadata:  Data sets, data type, and data source for all pathway surrogates

description: Data sets, data type, and data source for all pathway surrogates used for determining the “index of invasion pressure”.
DOI: 10.23719/1503178
title: High-throughput screening tools facilitate calculation of a combined exposure-bioactivity index for chemicals with endocrine activity

description: Dataset consists of high throughput in vitro bioactivity data and exposure predictions from the U.S. EPA’s Toxicity and Exposure Forecaster (ToxCast and ExpoCast) project.
DOI: 10.23719/1518771
title: The Structure and Composition of Puerto Rico's Urban Mangroves MetaData

description: Mangrove forests face heightened pressure from human development, which may directly replace these ecosystems or indirectly influence their structure and composition through a variety of anthropogenic activities. As a result, surrounding human communities receive lower overall ecosystem services from the remaining forests, which have been valued among the highest in the world and include fisheries habitat support, shoreline protection and stabilization from natural disasters, and water filtration. Although urban mangrove forests have been characterized as distinct in composition and structure in comparison with their non-urban counterparts, previous studies lack quantified representations of urbanness as well as any inclusion of hydrology or water chemistry, which are important influences on mangrove forest structure, composition, and function. This study uses ground-based and LiDAR measurements of mangroves across urban gradients in Puerto Rico to characterize forest composition and structure. It then tests for the relative importance of urbanization alongside flooding metrics and surface water chemistry in explaining observed variability in forest structure and composition. This data set includes all data and R scripts used in the analysis of Puerto Rico's urban mangroves. Data sets include individual tree species identification and diameter measurements as well as biomass. It also includes summary statistics from LiDAR (Light Detection and Ranging) measurements flown by NASA's GLiHT program. Finally, data sets include descriptive metrics for study sites such as land cover and land use, hydrology, and water chemistry.