cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.23719/1500945
title: Dataset for modeling spatial and temporal variation in natural background specific conductivity

description: This file contains the data set used to develop a random forest model predict background specific conductivity for stream segments in the contiguous United States. This Excel readable file contains 56 columns of parameters evaluated during development.  The data dictionary provides the definition of the abbreviations and the measurement units.  Each row is a unique sample described as R** which indicates the NHD Hydrologic Unit (underscore), up to a 7-digit COMID, (underscore) sequential sample month.
To develop models that make stream-specific predictions across the contiguous United States, we used StreamCat data set and process (Hill et al. 2016; https://github.com/USEPA/StreamCat). The StreamCat data set is based on a network of stream segments from NHD+ (McKay et al. 2012). These stream segments drain an average area of 3.1 km2 and thus define the spatial grain size of this data set. 
The data set consists of minimally disturbed sites representing the natural variation in environmental conditions that occur in the contiguous 48 United States. More than 2.4 million SC observations were obtained from STORET (USEPA 2016b), state natural resource agencies, the U.S. Geological Survey (USGS) National Water Information System (NWIS) system (USGS 2016), and data used in Olson and Hawkins (2012) (Table S1). Data include observations made between 1 January 2001 and 31 December 2015 thus coincident with Moderate Resolution Imaging Spectroradiometer (MODIS) satellite data (https://modis.gsfc.nasa.gov/data/). Each observation was related to the nearest stream segment in the NHD+. Data were limited to one observation per stream segment per month. SC observations with ambiguous locations and repeat measurements along a stream segment in the same month were discarded. Using estimates of anthropogenic stress derived from the StreamCat database (Hill et al. 2016), segments were selected with minimal amounts of human activity (Stoddard et al. 2006) using criteria developed for each Level II Ecoregion (Omernik and Griffith 2014).  Segments were considered as potentially minimally stressed where watersheds had 0 - 0.5% impervious surface, 0 – 5% urban, 0 – 10% agriculture, and population densities from 0.8 – 30 people/km2 (Table S3). Watersheds with observations with large residuals in initial models were identified and inspected for evidence of other human activities not represented in StreamCat (e.g., mining, logging, grazing, or oil/gas extraction). Observations were removed from disturbed watersheds, with a tidal influence or unusual geologic conditions such as hot springs. About 5% of SC observations in each National Rivers and Stream Assessment (NRSA) region were then randomly selected as independent validation data. The remaining observations became the large training data set for model calibration.
DOI: 10.23719/1502451
title: BC Instrument Field Comparison

description: Comparison of two black carbon instruments for quantifying the black carbon emissions from a T63 turboshaft aircraft engine burning conventional and Fischer-Tropsch fuel
DOI: 10.23719/1502454
title: June 2018 version of dataset

description: These are the data associated with each of the figures in the publication
DOI: 10.23719/1502460
title: DailyRegionalLNOxEmissions05_2018

description: This dataset contains WRF/CMAQ model output in IOAPI format and Excel file to analyze the NOx emissions budget by month and region.
DOI: 10.23719/1502507
title: The potential effects of climate change on air quality across the conterminous U.S. at 2030 under three Representative Concentration Pathways

description: This dataset is the underlying data described in Nolte et al., "The potential effects of climate change on air quality across the conterminous U.S. at 2030 under three Representative Concentration Pathways", Atmos. Chem. Phys., in press, 2018.
The paper describes simulated changes in U.S. air quality (ozone and particulate matter) between 2000 and 2030 under three scenarios of climate change. 
Ozone data are in parts per billion by volume, particulate matter are in micrograms per cubic meter, temperature changes are in degrees Celsius, and precipitation has units of millimeters of accumulated precipitation per month.
DOI: 10.23719/1502513
title: Theoretical Study of Isoprene Peroxy Radical 1-5 Hydrogen Shift Reactions that Regenerate HOx Radicals and Produce Highly Oxidized Molecules

description: The attached extensive computational chemistry dataset involves detailed electronic structure (density functional theory - DFT) and kinetic calculation (master equation formalism) outputs for the reactions of isoprene and first generation oxidants with the hydroxyl radical. There are a total of 9 tabs in the Excel spreadsheet.  The first two tabs provide the potential energy surfaces (PESs) of the isoprene+OH and isopOOH+OH (1st generation oxidant) reactions.  The PESs are zero-point energy corrected and obtained at the M062x/maug-cc-pVTZ level of DFT.  The third tab provides the reaction barriers for first and second generation 1,5-hydrogen atom shifts for two different isoprene peroxy radical isomers with several different DFT methods.  The fourth and fifth tabs provide microcanonical rate constants for the reactions of isoprene and isopOOH with OH respectively. The remaining tabs give the rate constants for the 1,5-H shifts for four different isoprene peroxy radicals.  The rate constants are computed using the M062x density functional and an average of 4 different DFT methods given in tab 3 for comparison.  The average values are reported as the final rate constants determined by computational methods.
DOI: 10.23719/1502525
title: Anthropogenic enhancements to production of highly oxygenated molecules from autoxidation

description: Atmospheric oxidation of natural and anthropogenic volatile organic compounds (VOCs) leads to secondary organic aerosol (SOA), which constitutes a major and often dominant component of atmospheric fine particulate matter (PM2.5). Recent work demonstrates that rapid autoxidation of organic peroxy radicals (RO2) formed during VOC oxidation results in highly oxygenated organic molecules (HOM) which efficiently form SOA. As NOx emissions decrease, the chemical regime of the atmosphere changes to one in which RO2 autoxidation becomes increasingly important, potentially increasing PM2.5, while oxidant availability driving RO2 formation rates simultaneously declines, possibly slowing regional PM2.5 formation. Using a unique suite of in situ aircraft observations and laboratory studies of HOM, together with a detailed molecular mechanism, we show that although autoxidation in an archetypal biogenic VOC system becomes more competitive as NOx decreases, absolute HOM production rates decrease due to oxidant reductions, leading to an overall positive coupling between anthropogenic NOx and localized biogenic SOA from autoxidation. This effect is observed in the Atlanta, Georgia urban plume where HOM is enhanced in the presence of elevated NO, and predictions for Guangzhou, China, where increasing HOM-RO2 production coincides with increases in NO from 1990 to 2010. These results suggest added benefits to PM2.5 abatement strategies come with NOx emission reductions and have implications for aerosol-climate interactions due to changes in global SOA resulting from NOx interactions since the pre-industrial era.

Datasets include links to CMAQ, F0AM, and WAM model code as well as the SENEX aircraft campaign data archive.

Files include data shown in Figure 3 (C10H18O7 HOM from SENEX), data used to construct Figure 4 and S10 (CMAQ model predictions of oxidants and intermediate species), additional supporting data in Figure S11 (SENEX C10 HOM species), and observed particle and gas composition from SOAFFEE laboratory experiments (Figure S6 and elsewhere).
DOI: 10.23719/1502529
title: Mutagenicity and Disinfection By-product Concentrations after Chlorination of ICM-Containing Source Waters

description: The dataset consists of two categories of data:  (1) the mutagenicity data, which is composed of the number of mutants (revertants) per Petri plate and (2) the concentrations of various disinfection by-products in the water.
DOI: 10.23719/1502543
title: Hypothetical Aggregate Exposure Pathway Network

description: This data set contains R code for a hypothetical exposure model described in the manuscript "A quantitative source-to-outcome case study to demonstrate the integration of human health and ecological endpoints using the Aggregate Exposure Pathway and Adverse Outcome Pathway frameworks".  Additionally, this data set contains an Excel file that provides the range of parameters used in Monte Carlo simulations to generate iterations of the exposure network.
DOI: 10.23719/1502544
title: Assessing the Impact of Wastewater Treatment Plant Effluent on Downstream Drinking Water-Source Quality Using a Zebrafish (Danio Rerio) Liver Cell-Based Metabolomics Approach

description: The datafile presents the data used to create the figures in the manuscript.  These include: a) Two-component score plots of hydrophilic and lipophilic ZFL cell extracts analyzed with NMR and GC-MS, respectively; b) The t-test filtered difference spectra (exposed minus control) generated from binned 1H NMR spectra (0.5–5.0 ppm in chemical shift) of hydrophilic extracts of ZFL cells; c) Bar chart showing the fold change of 21 annotated metabolites from the lipophilic extracts that exhibited different normalized abundance at one or more of the six sites relative to the control as measured by GC-MS; d) The summed intensity values for significantly changed metabolites from the t-test filtered difference spectra for both hydrophilic  and lipophilic extracts across six sampling sites; and e) Relative normalized abundances for metabolites identified in the cholesterol and fatty acid synthesis pathways from lipophilic ZFL extracts.
DOI: 10.23719/1502575
title: Inactivation rates of enteroviruses by UVC-LEDs

description: There are three types of dataset.
1. Main results (file name is 'UV-LED_Enteroviruses'): this file contains raw data and figures used for the manuscript.
2. Statistical analyses (three files. file names begin with Enteroviruses-): these files contain the results of statistical analyses used for this study.
3. UV-dose calculation (three files. file names begin with numbers such as 260 280, 260 and 280): these files include the entire calculation procedures for estimating UV doses.
DOI: 10.23719/1502583
title: Maternal High-Fat Diet Alters Offspring Response to an Acute Ozone Exposure

description: This data set for this manuscript is contained within one Excel file.The different tabs of the spreadsheet pertain to each figure found in the manuscript. This file was finalized on 2/1/19 to reflect any changes made to the figures in response to reviewers comments following submission to JTEH.
DOI: 10.23719/1502617
title: Survival, pathology, and assay results for the multiple low-dose exposures study

description: Survival results, pathology findings, immunoassay results, hematology and clinical chemistry for each study rabbit.
DOI: 10.23719/1502632
title: HTAP_v2.2: a mosaic of regional and global emission gridmaps for 2008 and 2010 to study hemispheric transport of air pollution.

description: This dataset provides the EPA portion of a compilation of different regional gridded inventories, including  data from Environment Canada for Canada, the European Monitoring and Evaluation Programme (EMEP) and Netherlands Organisation for Applied Scientific Research (TNO) for Europe, and the Model Inter-comparison Study in Asia (MICS-Asia)’s for China, India and other Asian countries, and  gap-filled emission gridmaps of the Emissions Database for Global Atmospheric Research (EDGARv4.3) for the rest of the world (mainly South-America, Africa, Russia and Oceania).
The EPA data is included as netCDF formatted datasets at 0.1º × 0.1º resolution for 2010. This was the “raw” data that was incorporated into the global mosaics.
Emissions from seven main categories of human activities (power, industry, residential, agriculture, ground transport, aviation and shipping) were estimated and spatially distributed on a common grid of 0.1º × 0.1º longitude-latitude, to yield monthly, global, sector-specific gridmaps for each substance and year.
Emission summaries from the supplemental information in the published journal article are also included.
DOI: 10.23719/1503025
title: TBBPA-BDBPE Dermal Summary Data

description: Disposition of TBBPA-BDBPE following ex vivo application to rat or human skin, in vivo application to rat skin and estimated human in vivo from the ex vivo rat and human and in vivo rat data
DOI: 10.23719/1503061
title: EPA-Generated_Data_for_Banerji_et_al._Ecological_Role_of_MC

description: Data used to generate Figures 2, 3, and 4 as we ll as Table 3
DOI: 10.23719/1503079
title: Gas-Phase Detection of Fluorotelomer Alcohols and Other Oxygenated PFAS by Chemical Ionization Mass Spectrometry _V1

description: CIMS calibration curves for the FTOHs and other PFAS for which standards were available. PFOA signals during calibrations and sampling. CIMS unit mass resolution difference mass spectrum for one commercial sample. Molecular composition assignment isotopic distributions. and a
DOI: 10.23719/1503082
title: Limited chemical structural diversity found to modulate thyroid hormone receptor in the Tox21 chemical library

description: The Tox21 chemical library (8,305 unique structures) was screened in a quantitative high-throughput, cell-based reporter gene assay for TR agonist or antagonist activity. Active compounds were further characterized using additional orthogonal assays, including mammalian one-hybrid assays, coactivator recruitment assays, and a high-throughput, fluorescent imaging, nuclear receptor translocation assay.  Results for the library are available at https://tripod.nih.gov/tox21/samples
DOI: 10.23719/1503111
title: MagnusonMatthew_A-ht7r_dataset_20181023.xlsx

description: The dataset contains the raw data for the graphs in the paper.
DOI: 10.23719/1503118
title: Multiplex ELISA MTF-1 and western blot raw data

description: Multiplex ELisa data, MTF-1 and western blot
DOI: 10.23719/1503128
title: Mill Creek DNA biodiversity 2016 for SH

description: OTU sequence reads by sample, along with assigned taxonomy
DOI: 10.23719/1503137
title: 246-TBP dermal summary data

description: The dataset includes mean +/- standard deviation of each experiment ex vitro (in vitro) rat, in vivo rat, ex vitro (in vitro) human, calculated human.  The rows show each fraction or factor in the experiment (e.g., skin wash, tape strip, etc.).  The ex vivo data is from work completed at EPA-RTP.  The in vivo data was from work completed at NIEHS.
DOI: 10.23719/1503172
title:  Dose-Response Analysis of RNA-Seq Profiles in Archival Formalin-Fixed Paraffin-Embedded Samples.

description: se of archival resources has been limited to date by inconsistent methods for genomic profiling of degraded RNA from formalin-fixed paraffin-embedded (FFPE) samples. RNA-seq offers a novel way to address this problem. In this study we evaluated transcriptomic dose responses using RNA-seq in paired FFPE and frozen (FROZ) samples from two archival studies in mice, one recent (<2 years old) and the other older (>20 years old). Experimental treatments included di(2-ethylhexyl)phthalate (DEHP) and dichloroacetic acid (DCA) for the <2 and >20 year-old studies, respectively. Total RNA was ribodepleted and sequenced using the Illumina HiSeq platform. In the recent study, FFPE samples showed high concordance in total reads (98% vs FROZ), fold-change values of differentially expressed genes (DEGs) (R2 = 0.99), highly enriched target pathways (90% overlap with FROZ), and benchmark dose estimates for preselected target genes (-2% overall vs FROZ). In contrast, RNA-seq data from older FFPE samples had lower total reads (70% vs FROZ) and poor concordance in global DEGs and pathways. Despite a 99% loss of counts, dose responses were still evident for target genes in FFPE samples and positively correlated with paired FROZ samples. These findings highlight potential variability in the quality of RNA-seq data from FFPE samples. More recent FFPE samples were highly similar to FROZ samples in sequencing quality metrics, DEG profiles, and dose-response parameters, while further methods development is needed for older or lower-quality FFPE samples. This work should help broaden the use of archival resources in both chemical safety and translational science.
DOI: 10.23719/1503345
title: Arsenic Safe Drinking Water Information System (SDWIS) Federal Reports Advanced Search Tool 

description: This data includes information on Arsenic violations in the US, including time patterns and spatial patterns in Arsenic violations, and people served by systems in violation. Most of the data is from the Safe Drinking Water Information System.
DOI: 10.23719/1503409
title: Datasets for Figures and Tables in SIX1 regulates aberrant endometrial epithelial cell differentiation and cancer trajectory

description: Data associated with the figures presented in this study are images, graphics, or tabulated data based on histopathologic analysis performed by a certified study pathologist or image analysis. Data for Tables 1 and 2 provide incidence, labeling scores, and p-values for statistical tests for uterine pathology and IHC expression by treatment group and timepoint or human endometrial tissue, as described in the Main Text file of the manuscript. Manual histopathologic data can be found in excel spreadsheets and are based on presence/absences (yes/no) of a pathologic finding and/or severity score as described in the manuscript (Fig. 1, 2, 3, 4). The image analysis data is based on the quantified area that is designated as “positive” for a particular immunohistochemical stain (Fig. 2, 4, and Suppl. Fig. S2). Supplementary Table 1 provides summary information on antibodies used for immunohistochemistry. Supplementary fig. S1 includes real time RT-PCR data standardized to a housekeeping gene and western blot data.
DOI: 10.23719/1503438
title: Aortic Ring Viability with Fatty Acid Exposures; Released LDH activity expressed as % of unexposed control value; VBass ms 12-OH Oleic acid impairs vasorelaxation; 1Mar2019.  Table 1 

description: Effects of exposure to fatty acids on the contraction  and relaxation of aortic tissue (Figure 1 A-E) and the viability of the aortic tissue (Table 1)
DOI: 10.23719/1503441
title: De Facto  Water Reuse: Bioassay suite approach delivers depth and breadth in endocrine active compound detection

description: Although endocrine disrupting compounds have been detected in wastewater and surface waters worldwide using a variety of in vitro effects-based screening tools, e.g. bioassays, few have examined potential attenuation of environmental contaminants by both natural (sorption, degradation, etc.) and anthropogenic (water treatment practices) processes. This study used several bioassays and quantitative chemical analyses to assess residence-time weighted samples at six sites along a river in the northeastern United States beginning upstream from a wastewater treatment plant outfall and proceeding downstream along the stream reach to a drinking water treatment plant. Known steroidal estrogens were quantified and changes in signaling pathway molecular initiating events (activation of estrogen, androgen, glucocorticoid, peroxisome proliferator-activated, pregnane X receptor, and aryl hydrocarbon receptor signaling networks) were identified in water extracts. In initial multi-endpoint assays geographic and receptor-specific endocrine activity patterns in transcription factor signatures and nuclear receptor activation were discovered. In subsequent single endpoint receptor-specific bioassays, estrogen (16 of 18 samples; 0.01 to 28 ng estradiol equivalents [E2Eqs]/L) glucocorticoid (3 of 18 samples; 1.8 to 21 ng dexamethasone equivalents [DexEqs]/L), and androgen (2 of 18 samples; 0.95 to 2.1 ng dihydrotestosterone equivalents [DHTEqs]/L) receptor transcriptional activation occurred above respective assay method detection limits (0.04 ng E2Eqs/L, 1.2 ng DexEqs/L, and 0.77 ng DHTEqs/L) in multiple sampling events. Estrogen activity, the most often detected, correlated well with measured concentrations of known steroidal estrogens (r2 = 0.890). Overall, activity indicative of multiple types of endocrine active compounds was highest in wastewater effluent samples, while activity downstream was progressively lower, and negligible in unfinished treated drinking water. Not only was estrogenic and glucocorticoid activity confirmed in the effluent by utilizing multiple methods concurrently, but other activated signaling networks that historically received less attention (i.e. peroxisome proliferator-activated receptor) were also detected.
DOI: 10.23719/1503696
title: Links to Freshwater Explorer datasets A-cjtc 20190408

description: These are data stored on the EPA GeoPlatform based on ArcGis (ESRI). They are in the form ArcGis tables or Excel files.

This "Predicted Background Conductivity" view consists of a shapefile derived from National Hydrography Dataset Plus Version 2.0 which displays modeled natural background conductivity for the continental United States.  The Natural Background Specific Conductivity (NBSC) contains predicted natural background conductivity using geology, soil, climate and other input parameters. 

The "National Measured Conductivity Data - WQP" view consists of a shapefile derived from data stored in the U.S. EPA Water Quality Portal. The "National Measured Conductivity Data - WQP" is based on measured data obtained from the U.S. EPA Water Quality Portal (WQP) data inventory - the nation's largest source for water quality monitoring data. Data were downloaded from the WQP website using the following query criteria: Country - United States.
•	Sample Media - Water. 
•	Characteristics - Conductivity, Specific Conductivity, Specific Conductance, Calculated/Measured Ratio.
•	Date range - 1 January 2000 to 01 November 2019.

The "National Measured Conductivity Data - NWIS" view consists of a shapefile derived from United States Geological Survey (USGS) National Water Information System (NWIS) data. The information displayed is based on measured specific conductivity (SC) data retrieved from the USGS NWIS. NWIS data are based upon consistent, documented sample collection and measurement techniques, as well as consistent data reporting. Data was downloaded for river and stream sampling sites between January 1, 1984 and April 20, 2018. Data collected prior to 1984 were excluded because analytical methods used by USGS prior to that date are less reliable. The downloaded dataset includes more than 1 million water chemistry measurements, collected at 65,698 NWIS sampling stations in the continental U.S. (covering all states and most ecoregions).
DOI: 10.23719/1503723
title: Mapping Aedes aegypti and Ae. albopictus vector mosquito distribution in Brownsville, Texas

description: Data supports the publication "Mapping Aedes aegypti (Diptera: Culicidae) and Aedes albopictus Vector Mosquito Distribution in Brownsville, TX". We investigated the spatiotemporal dynamics of Aedes aegypti (Linnaeus) and Aedes albopictus (Skuse) mosquito trap captures in Brownsville, TX, using high-resolution land cover, socioeconomic, and meteorological data. We modeled mosquito trap counts using a Bayesian hierarchical mixed-effects model with spatially correlated residuals. The models indicated an inverse relationship between temperature and mosquito trap counts for both species, which may be due to the hot and arid climate of southern Texas. The temporal trend in mosquito populations indicated Ae. aegypti populations peaking in the late spring and Ae. albopictus reaching a maximum in winter. Our results indicated that seasonal weather variation, vegetation height, human population, and land cover determine which of the two Aedes species will predominate.