cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.23719/1519316
title: Datasets associated with "Mining of Consumer Product and Purchasing Data to Identify Potential Chemical Co-exposures"

description: Background: Chemicals in consumer products are a major contributor to human chemical co-exposures. Consumers purchase and use a wide variety of products containing potentially thousands of chemicals. There is a need to identify potential real-world chemical co-exposures in order to prioritize in vitro toxicity screening. However, due to the vast number of potential chemical combinations, this has been a major challenge.

Objectives: We aim to develop and implement a data-driven procedure for identifying prevalent chemical combinations to which humans are exposed through purchase and use of consumer products.

Methods: We applied frequent itemset mining on an integrated dataset linking consumer product chemical ingredient data with product purchasing data from sixty thousand households to identify chemical combinations resulting from co-use of consumer products.

Results: We identified co-occurrence patterns of chemicals over all households as well as those specific to demographic groups based on race/ethnicity, income, education, and family composition. We also identified chemicals with the highest potential for aggregate exposure by identifying chemicals occurring in multiple products used by the same household. Lastly, a case study of chemicals active in estrogen and androgen receptor in silico models revealed priority chemical combinations co-targeting receptors involved in important biological signaling pathways.

Discussion: Integration and comprehensive analysis of household purchasing data and product-chemical information provided a means to assess human near-field exposure and inform selection of chemical combinations for high-throughput screening in in vitro assays.
DOI: 10.23719/1519372
title: Diacetyl Data Sets for Figures in Paper

description: This research looks at the effects of soluble, volatile diketones such as diacetyl on iron homeostasis.  These diketones are in food flavoring agents and occur naturally in fermented beverages.
DOI: 10.23719/1520452
title: Assessing reproductive effects of aromatase inhibition on fishes with group-synchronous oocyte development using western mosquitofish (Gambusia affinis) as a model

description: Predictive models and frameworks for linking inhibition of the enzyme aromatase, as measured in non-animal high throughput screening assays, to adverse effects on reproduction in fish have been established. However, those models were established using data from several fish species commonly reared in the laboratory that employ a particular reproductive strategy involving asynchronous oocyte development and repeat spawning. Many fish species employ synchronous oocyte development and spawn annually. This product was intended to help address the question of whether the current approaches for predicting impacts of aromatase inhibitors are applicable to fish with a synchronous/annual spawning reproduction strategy. The study establishes the mosquitofish as a viable laboratory model with synchronous oocyte development and provides preliminary evidence that exposure to aromatase inhibitors during a critical period of the reproductive cycle can lead to adverse effects on fish reproduction. 

This dataset provides all the data used to generate the tables and figures presented in Doering et al. "Assessing reproductive effects of aromatase inhibition on fishes with group-synchronous oocyte development using Western Mosquitofish (Gambusia affinis) as a model."  Data are organized as separate tabs in an Excel spreadsheet with a cover sheet, followed by a separate tab for each Figure and Table from the manuscript.
DOI: 10.23719/1520608
title: Supplementary field, morphometric and genetic data for Mesocyclops pehpeiensis cyclopoid copepods reported from the western basin of Lake Erie (2016-2018).

description: Field collection data and stage, sex, specimen count, length and COI barcode BIN ID number (which links to genetic information in BOLD Systems V4) for the Asian cyclopoid copepod Mesocyclops pehpeiensis, a non-native zooplankton species recently reported in Lake Erie.
DOI: 10.23719/1520718
title: Characterization Data-XPS-XRD

description: Characterization data such as XRD and XPS.
DOI: 10.23719/1520748
title: Maumee River 2012 and 2016

description: The Maumee River and associated tributaries are an example of a system influenced by a mosaic of contaminant inputs from point and nonpoint sources along a gradient of land uses. To assess the potential effects of contaminants on aquatic biota in a system this complex requires a combination of targeted and nontargeted analytical and biological monitoring techniques to provide data that can be assembled and interpreted in an integrated manner. The aim of the current paper was to provide a practical demonstration of this type of approach using a variety of state-of-the-science pathway-based tools. Studies conducted in 2012 and 2106 showed that contaminants in the upper part of the Maumee River reflect agricultural practices, while downstream, the suite of chemicals present includes those from agriculture in conjunction with contaminants more indicative of a general urban setting, influenced in some areas by WWTP inputs. Biological responses using in vitro assays with surface water samples, and measures of biological responses in caged fish deployed a various sites in the Maumee River were used to assess the potential for perturbation of specific biological pathways. Overall there was little evidence for contaminant effects on endocrine pathways involved is reproduction or development. However, multiple lines of evidence suggested the presence of contaminants that could inhibit or induce  cytochrome P450-based enzymes thereby influencing biological pathways/processes associated with these ubiquitous proteins.
DOI: 10.23719/1520955
title: EE2_FHM_larva_RNASeq_20210309a_GSE160535

description: The data are maintained at the National Center for Biotechnology Information (NCBI) GEO depository https://www.ncbi.nlm.nih.gov/geo/ .  There are three accession numbers (which can be entered at this site):
•	GSE160535 - Development of omic biomarkers for Fathead minnow larva (Pimephales promelas) exposed to ethinyl estradiol
   A superseries which links to the two separate data sets from the same experiment (below)
•	GSE158857 - Development of omic biomarkers for Fathead minnow larva (Pimephales promelas) exposed to ethinyl estradiol [non-coding small RNA]
   The non-coding small RNA dataset (includes microRNA and PIWI-RNA data and metadata
•	GSE160520 - Development of omic biomarkers for Fathead minnow larva (Pimephales promelas) exposed to ethinyl estradiol [mRNA]
   The mRNA data set including metadata
DOI: 10.23719/1521106
title: Fathead minnow VTG gene and protein expression after EE2 exposure

description: For decades, induction of vitellogenin (VTG), a yolk precursor protein, in male fish has been utilized as an indicator of environmental exposure to estrogenic compounds. VTG has been measured by a variety of enzyme-linked immunosorbent assays (ELISAs). Recently, an ELISA targeting VTG from a variety of environmentally or regulatory relevant fish species was developed which detects VTG in serum, plasma, whole tissue homogenate and outer mucus coat (TECO Medical Group, Switzerland). Detection of VTG in mucus presents a non-invasive method of monitoring endocrine disruption. As the scientific community strives to reduce animal testing, this method could provide a reliable, minimally invasive sample for routine monitoring studies. The objective of this study was to characterize VTG  protein in male fathead minnow (Pimephales promelas) mucus compared with more conventional measures in plasma and mRNA isolated from liver. VTG expression changes have frequently been studied in fathead minnows exposed to the well-characterized endocrine disrupting compound, 17α-ethinylestradiol (EE2). To assess the intensity and duration of changes in mucus VTG concentrations, fathead minnows were exposed to EE2 for 7 days with a subsequent depuration period of 14 days. The exposure was conducted in a flow-through system to maintain a consistent concentration of EE2 at a nominal EC50 concentration of 2.5 ng/L and high concentration of 10 ng/L as a positive control. Mucus, plasma and liver were sampled at regular intervals throughout the study. Relative abundance of vtg mRNA  increased after 2 days of exposure and disappeared after 4 days of depuration. Vitellogenin protein expression increased after 2 days of exposure and remained elevated throughout the depuration period. The pattern of protein expression in mucus was the same as plasma indicating mucus can be used as a non-invasive sample for measuring VTG in fish. Sampling mucus allows researchers to collect more samples in less time during one sampling event without sacrificing animals. Additionally, the same population may be repeatedly sampled, which is potentially useful to monitor remediation efforts or for endangered species.
DOI: 10.23719/1521147
title: Data from Newes et al. from the Biomass Scenario Model focusing on ethanol_v1

description: This dataset was developed by the DOE's National Renewable Energy Lab to use the Biomass Scenario Model (BSM) to better understand how the RFS Program and other factors influenced the growth of the U.S. ethanol industry from 2002-2019. It is being published in a peer-reviewed journal article (STICS ID: ORD-041410). It examines the effect of five factors on the growth of the industry, including price competition between oil and ethanol, match blending, the RFS Program as embodied in Renewable Identification Numbers (RINs), the Volumetric Excise Tax Credit (VEETC), and methyl tert-butyl ether (MTBE) as an octane enhancer.
DOI: 10.23719/1522291
title: Raw data for understanding microbial loads in wastewater treatment works as source water for water reuse

description: This dataset includes all the raw data of various microorganisms in wastewater influent and effluent samples from three participating reclaimed water plants. Additionally, box plots used for the peer-reviewed journal article were presented.
DOI: 10.23719/1522948
title: EnviroAtlas - 2010 Dasymetric Population for the Conterminous United States v3 (In Review)

description: This EnviroAtlas dataset intelligently reallocates 2010 population from census blocks to 30 meter pixels based on land cover and land use. This dataset was produced by the US EPA to support research and online mapping activities related to EnviroAtlas. EnviroAtlas (https://www.epa.gov/enviroatlas) allows the user to interact with a web-based, easy-to-use, mapping application to view and analyze multiple ecosystem services for the contiguous United States. The dataset is available as downloadable data (https://edg.epa.gov/data/Public/ORD/EnviroAtlas) or as an EnviroAtlas map service. Additional descriptive information about this dataset can be found in its associated EnviroAtlas Fact Sheet (https://www.epa.gov/enviroatlas/enviroatlas-fact-sheets).
DOI: 10.23719/1523061
title: Evaluation of the Immobilization of Heavy Metals Data Set

description: Data is for 9 figures that include raw analyses of heavy metal experiment results including, screening batch tests, FTIR, XRD, pH effects Kinetic batch tests, Isotherm modeling, (Langmuir, Freundlich, Redlich-Peterson), and Column tests.
DOI: 10.23719/1523109
title: Data used in analyses for "A comparison of pollen and syrup exposure routes in Bombus impatiens microcolonies: implications for pesticide risk assessment"

description: Data used in "A comparison of pollen and syrup exposure routes in Bombus impatiens microcolonies: implications for pesticide risk assessment"
DOI: 10.23719/1503444
title: State-Level Drivers of Future Fine Particulate Matter Mortality in the United States

description: Future fine particulate matter (PM2.5) concentrations and health impacts will be largely determined by factors such as energy use, fuel choices, emission controls, state and national policies, and demographics. In this study, a human-earth system model is used to estimate US state-level PM2.5 mortality costs from 2015 to 2050 considering current major air quality and energy regulations. The Logarithmic Mean Divisia Index is applied to quantify the contributions of socioeconomic and energy factors to future changes in PM2.5 mortality costs. National PM2.5 mortality costs are estimated to decrease by 25% from 2015 to 2050, primarily driven by decreases in energy intensity and decreases in PM2.5 mortality cost per unit consumption of electric sector coal and transportation liquids. These factors together contribute to 68% of the net decrease, primarily because of technology improvements and air pollutant emission regulations. Furthermore, the results suggest that states with greater population and economic growth, but with fewer clean energy resources, are more likely to face significant challenges in reducing future PM2.5 mortality costs. In contrast, states with larger projected decreases in mortality costs have smaller increases in population and per capita GDP and greater decreases in electric sector coal share and PM2.5 mortality cost per unit fuel consumption. 
This dataset includes source code, input data, and model output from the Global Change Assessment Model (GCAM-USA) human-earth system model used in this study. It also includes Excel workbooks and R scripts used in producing the figures in the manuscript.
DOI: 10.23719/1504127
title: Mercury Accumulation in Fall Migrating Raptors through Central North America

description: The data consist of measured feather concentrations of total mercury (THg) in six species of raptors sampled at Hawk Ridge, Duluth MN between 2009 and 2012.  The species sampled were Sharp-shinned Hawk (Accipiter striatus), Northern Goshawk (Accipiter gentilis), Long-eared Owl (Asio otus), American Kestrel (Falco sparverius), Merlin (Falco columbarius), and Northern Harrier (Circus hudsonius).
DOI: 10.23719/1504140
title: Dataset for Figures in Published Article.xlsx

description: The dataset contains the data that underlies the figures and tables in the published article.  It also contains the data that underlies the figures in supplemental material.
DOI: 10.23719/1504179
title: Characterizing cleft palate toxicants using ToxCast data, chemical structure, and the biomedical literature

description: A data set of 500 chemicals evaluated for their ability to induce cleft palate in animal prenatal developmental studies was compiled from Toxicity Reference Database and the biomedical literature, which included 63 cleft palate active and 437 inactive chemicals. To characterize the potential molecular targets for chemical‐induced cleft palate, we mined the ToxCast high‐throughput screening database for patterns and linkages in bioactivity profiles and chemical structural descriptors. The following datasets can be obtained via the links and files in the Data section: Phase II ToxCast assay data results (Judson et al., 2010); The Gene Score data set derived from ToxCast; ToxRefDB version 1 (Knudsen et al., 2009; Martin, Judson, et al., 2009); The ToxPrint chemotypes (Yang et al., 2015).
DOI: 10.23719/1504194
title: Ship Power Model Summary Data

description: The dataset is contained in a .zip file containing the two .csv files with data, and a data dictionary file. 
summedEmissionsSpeeds contains emissions estimates summed over several different modeling parameters, DwtSubtypes gives the mapping of shipType, and subtypes, to deadweight tonnage ranges as used in the linked publication.
DOI: 10.23719/1504541
title: MagnusonMatthew_A-fqzq_dataset_20191003.xlsx

description: Data corresponding to graphs in paper.
DOI: 10.23719/1504546
title: White Sucker Tumors and Deformities

description: White sucker, Catostomus commersonii, were collected from the St. Louis River Area of Concern in 2011, 2013, and 2015. The data include size, sex, and age of fish; associated orocutaneous and liver neoplasia prevalence; muscle carbon and nitrogen stable isotope ratios; diet contribution from three locations based on stable isotope ratios; and concentration of PCBs, dioxins, and furans in livers of select fish sampled in 2015.
DOI: 10.23719/1506001
title: Nooksack River Basin N budget

description: Information used to construct a nitrogen budget for the Nooksack River Watershed.  
The data includes the following four tables: 
Table 1: Annual N Fluxes in the Nooksack River Watershed.
Table 2: Calculated annual fish body mass (kg) in the Nooksack River Watershed.  
Table 3: Mean total nitrogen deposition (kg) of different land uses in the watershed, US portion and Canadian portion. 
Table 4: US portion of the Nooksack River Watershed: crop types, area, annual harvest N, available soil N, annual recommended crop N uptake rates, and proportional contributions of manure and synthetic fertilizer N, respectively.
DOI: 10.23719/1506086
title: CADEE input data for exposure models 

description: input data for air pollution exposure models
DOI: 10.23719/1510475
title: phase-ii-classifications.xlsx

description: This file contains the individual classifications done by users on Zooniverse for the video clip subjects. Metadata is in the file as a separate spreadsheet. See R script for data analysis.
DOI: 10.23719/1510478
title: R script

description: This file includes an annotated R script used for data analysis for this project. Data files called in this script are also uploaded. Annotations within the script equate to metadata.
DOI: 10.23719/1518434
title: Data for Particle and Volatile Organic Compound Emissions from a 3D Printer Filament Extruder

description: Data for Particle and Volatile Organic Compound Emissions from a 3D Printer Filament Extruder
DOI: 10.23719/1518482
title: Science Hub Sulfate Radicals

description: Activated persulfate (PS) is a common method used to generate sulfate radicals (SO4•-), a powerful oxidant capable of degrading a broad array of environmental contaminants. The reaction of SO4•- with non-target species (i.e., scavenging), contributes significantly to treatment inefficiency. Radical scavenging in this manner has been quantified for non-target chemical species in the aqueous phase but has never been quantified for solid phase media. Kinetic analysis and laboratory methods were developed to quantify the SO4•- scavenging rate constant (k≡S) for alumina, a naturally occurring mineral in soil and aquifer materials. SO4•- were generated in UV- and thermally-activated persulfate (UV-APS, T-APS) batch systems, and the loss of rhodamine B (RhB) served as an indicator of SO4•- activity. k≡S for alumina was 2.42×104 m-2 s-1 and 2.03×104 m-2 s-1 for UV-APS and T-APS oxidative treatment systems, respectively. At [alumina] >5 g L-1, the reaction of SO4•- with solid phase media increased over the aqueous phase reactions with RhB and aqueous scavengers. SO4•- scavenging by solid surfaces was orders of magnitude greater than reaction with the target compound and scavengers in the aqueous phase, underscoring the significant role of solid surfaces in scavenging SO4•-.
DOI: 10.23719/1518492
title: MagnusonMatthew_A-kd5p_dataset_20200320.docx

description: Data corresponding to graphs in paper.
DOI: 10.23719/1518503
title: formalin effects data

description: RNA sequencing data from paired: (1) fresh-frozen, (2) direct-fixed in formalin for 18 hours, (3) frozen then formalin-fixed, or (4) frozen then ethanol-fixed and paraffin-embedded (n=6/group/condition) tissue samples from the livers of mice exposed to 600 ppm phenobarbital vs. vehicle control for 7 days in drinking water. RNA sequencing data from paired fresh frozen and 18 hr. formalin-fixed paraffin-embedded liver tissue from mice administered 1500, 3000, and 6000 ppm DEHP or vehicle control for 7 days by dietary ingestion; or RNA sequencing data from paired fresh frozen, 18 hr. formalin fixed paraffin embedded, or 3 wk. formalin fixed paraffin embedded liver tissue from mice administered 8 mg/kg/d Furan or vehicle control for 3 weeks by gavage.
DOI: 10.23719/1518573
title: Data for van Deemter Curves, Peak Characterizations, and Peak Capacity

description: Datasets provide van Deemter terms and curves for each capillary column, peak retention time and width from each UHPLC-MS gradient analysis, and peak capacity calculations from each gradient analysis.
DOI: 10.23719/1518658
title: Data set for N-containing aromatic compounds emitted from burning wood and charcoal in household cookstoves

description: Composition and structural information of the nitrogen containing aromatic compounds emitted from cookstove combustion.
DOI: 10.23719/1519119
title: Median Agriculture, Pasture, and Barren Cover Management Factors for USDA Crop Management Zones

description: This data set provides median cover management factors (C-Factor) for agriculture, pasture, and barren land cover classes for each USDA Crop Management Zone.  The C-Factors were calculated based on a Normalized Difference Vegetation Index. MODIS (Moderate Resolution Imaging Spectroradiometer) NDVI values were obtained at 250 m resolution for 16-day intervals between 2000-2014 to calculate a mean annual NDVI.  The data in this file correspond To Table 2 in the associated journal article.
DOI: 10.23719/1519151
title: Data used to produce figures and tables

description: The dataset are the data used to produce figure in manuscript.
DOI: 10.23719/1519152
title: Data Generated During Crystal Quartz Micro-Balance Studies of Corroding Copper Surfaces
DOI: 10.23719/1519302
title: Functional Profile of Sediment Layers

description: A table (DP_KEGG.xlsx) contains rows as KEGG Orthology (KO), columns as sediment layers, and entries representing the abundance of each KO.
DOI: 10.23719/1519333
title: Regression Test Data

description: This dataset is based on the unit and regression testing available on https://github.com/USEPA/Stormwater-Management-Model/actions
DOI: 10.23719/1520746
title: RARE_1718_NTM_HPC

description: The dataset has total chlorine concentration, monochloramine concentration, HPC CFU/500mL, NTM CFU/500mL, and M. avium, M. intracellular, and M. abscessus GU/500ML and THM4 and HAA5/HAA9 data
DOI: 10.23719/1520778
title: Metadata Files for Structure-based QSAR models to predict repeat dose toxicity points of departure

description: This paper describes a model to take chemical structures and predict a property (the point of departure) for a new chemical. No new data were generated. The contents of this zip file contains metadata that you could use to make a model prediction. It does contain all of the code and a help file describing how to run the model.
DOI: 10.23719/1520858
title: Intersection of Natural Hazard Vulnerability and RCRA Site Location

description: Co-occurrence of natural hazard exposures and RCRA site locations at the county level where natural hazards are in the top quartile of exposures
DOI: 10.23719/1520885
title: colloid-size copper-based pesticides and wood preservatives against microbial activities of Gram-positive Bacillus species 

description: Copper-based pesticides and wood preservative fungicides could end up in the environment during production, use, and end-of-life via different pathways that could cause unintended ecological and adverse health effects. This paper provides the effect of colloid-size Cu-based pesticides, micronized Cu azole and alkaline Cu quaternary (ACQ) treated woods, ionic Cu, ionic Cu spiked untreated wood (UTW), and CuCO3 solutions against Gram-positive Bacillus species using five-day biochemical oxygen demand  standard test.
DOI: 10.23719/1520910
title: DeMarini et al., 2021 Mutagenicity Data Set - I-THMs

description: Mutagenicity data for iodinated trihalomethane compounds
DOI: 10.23719/1520961
title: Linear combination fitting data of Pb speciation used for Figure S1.

description: Data file contains linear combination fitting data used to make figure S1.