cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.23719/1530990
title: Systematic Approaches for the Encoding of Chemical Groups: A Case Study

description: The Supporting Information contains the following material: data set with ARN groups downloaded from https://echa.europa.eu/assessment-regulatory-needs in Feb 2023 (S1_2023_02_03_assessment-of-regulatory-needs--arn─export.xlsx)

Curated data set with ARN groups with molecular structures and their quality scores, that was used for building the models (S2_ARN_groups.xlsx)

Descriptive statistics for the 86 substance groups (S3_ARN_stats.xlsx). For each group, we provide the number of substances as in the ARN group, the number of substances matched in DSSTox, the DSSTox substance type and the number of substances with structural information and its quality; document with additional figures and explanations referred to in the manuscript (S4_SystematicGroupingSI.docx)

Predicted groups, probabilities and domain assessment for all nonconfidential substances registered under REACH (S5_rf_application_1_results_redacted.xlsx); Cross-validation scoring results obtained in every iteration of outer and inner grid search for the random forest (RF) model (S6_outer_inner_grid_details_rf.xlsx)

Cross-validation scoring results obtained in every iteration of outer and inner grid search for the nearest neighbor (kNN) model (S7_outer_inner_grid_details_kn.xlsx)

Cross-validation scoring results obtained for the gradient boosting (GB) model. This data set is only provided for completeness because the GB model was evaluated but not used further. Due to the computational cost, we only performed the inner grid search using the optimal fingerprint parameters identified by the outer grid search with kNN and RF (radius 2, length 2,560) (S8_outer_inner_grid_details_gb.xlsx) (ZIP)
DOI: 10.23719/1531009
title: A fecal score approximation model for analysis of real-time quantitative PCR fecal source identification measurements

description: HF183/BacR287 qPCR standard control material and water sample measurements used to compare Bayesian and Traditional Fecal Score models.
DOI: 10.23719/1531017
title: Water Stable Isotope data from NARS (NRSA and NLA)

description: Water stable isotope data measured on water chemistry samples collected as part of the National Aquatic Resource Surveys (NARS).  One file is for the National Rivers and Streams Assessment (NRSA), and contains the data collected in 2008-2009, 2013-2014, and 2018-2019.  The other file is for the National Lakes Assessment (NLA) and contains the water isotope data, as well as evaporation to inflow and water residence time calculated from the water isotope data from samples collected in 2007, 2012, and 2017.  More data about these sites can be obtained from the EPA NARS website:
 https://www.epa.gov/national-aquatic-resource-surveys/data-national-aquatic-resource-surveys
DOI: 10.23719/1531087
title: FTIR QA and Emission Data Example 

description: Processed FTIR spectral data that demonstrates performance of quality assurance procedures used for data validation.  This data is presented in "QA Summary of Surrogate Injections" Excel spreadsheet and contains data dictionary of parameters measured.
DOI: 10.23719/1531137
title: Bioenergy Senario Model (BSM) data from Miller et al

description: This dataset shows all the scenario outputs from the Bioemergy Scenarion Model (BSM) in estimating the effect of various factors on the production od soybean biodiesel and renewable diesel in the U.S. from 2002-2020 (Miller et al., 2024, Energy Policy).
DOI: 10.23719/1531719
title: Stable isotope data for Ammonium loss microbiologically mediated by Fe(III) and Mn(IV) reduction along a coastal lagoon system

description: These data are carbon and nitrogen content and stable isotope measurements of sediments from a lagoon in the Baja California Peninsula. The %N column gives the percent nitrogen, the delta-15-NAir column gives the stable isotope value of the nitrogen (using per mil units), the %CTotal column gives the total carbon content of the sediment while the %C Organic gives the amount of organic carbon in the sediment. The delta-13C Organic column gives the stable isotope value of the organic carbon in the sediment.
DOI: 10.23719/1531815
title: Mass balanced sediment elemental summary

description: Physical and compositional characteristics of drinking water storage tank sediment
DOI: 10.23719/1531816
title: Mobilization of porewater Pb and Zn in response to seasonal flooding within contaminated wetlands v.1.0

description: The dataset contains the data that was used to generate the tables and figures in the publication of the same name
DOI: 10.23719/1531856
title: Computational Modelling of the Impact of Evaporation on In-Vitro Dermal Absorption

description: Datasets for Benjamin Deacon, et al. 'Computational Modelling of the Impact of Evaporation on In-Vitro Dermal Absorption', Pharmaceutical Research, Vol 41, pg 1979-1990, 2024, DOI https://doi.org/10.1007/s11095-024-03779-y, PMC11530481. 
Data generated in this study is available with the evaporation model in the GitHub repository.
The full results and input values are included in the supplementary information.
DOI: 10.23719/1531923
title: Consumption-Based Emissions Inventory Summaries for Selected U.S. States, 2012-2019

description: Summaries of Consumption-Based Emission Inventory (CBEI) results for states outside the Northeast, in other words states not covered in EPA's report on CBEIs the Northeastern States (https://cfpub.epa.gov/si/si_public_record_Report.cfm?dirEntryId=363340&Lab=CESER). CBE results for Northeastern states are available as a dataset (https://doi.org/10.23719/1531799). Each summary is in a standalone HTML file, named by the state two-letter acronym, and is viewable in any web browser. The time period covers 2012-2019 with the results on an annual basis for each state. These summaries are based on the same methods described in the aforementioned report. They are produced with USEEIO State Models with state-level GHG extensions.  The code used to produce this reports is the StateCBE R markdown (StateCBE.Rmd) available which draws on other code in that repository and uses the useeior package. The specific tag (snapshot) of code used is https://github.com/USEPA/USEEIO-State/blob/v0.1.0/examples/StateCBE.Rmd. We cannot control for the ordering so please search thoroughly for the state of interest (it may be out of alphabetical order).
DOI: 10.23719/1532022
title: Data for Figures

description: Data corresponding to figures located in manuscript and appendix files
DOI: 10.23719/1532139
title: Metadata GAPDH inhibition mediated by thiol oxidation in human airway epithelial cells exposed to an environmental peroxide

description: Metadata for GAPDH inhibition mediated by thiol oxidation in human airway epithelial cells exposed to an environmental peroxide
DOI: 10.23719/1532214
title: Kickapoo River Watershed LCA LCCA SnapPlus SWAT data

description: Kickapoo River Watershed LCA LCCA SnapPlus SWAT dataset
DOI: 10.23719/1521325
title: Data support results reported in "Modeling future land cover change scenarios in Minneapolis, MN, to support drinking water source protection decisions"

description: Data supporting results presented in "Modeling future land cover change scenarios in Minneapolis, MN, to support drinking water source protection decisions."
DOI: 10.23719/1522399
title: Hydrologic Landscape Vulnerability Assessment Data

description: JonesEtAl_2021_Study_Locations.shp: This shapefile includes the areas of interest used in our analysis for the analyses published in Jones et al. 2021. Each area of interest is divided into numerous polygonal assessment units as described in the accompanying research article. Each polygon has attributes that include FID, Name, Number (used in our published map figure and tables), and shape area (in meters squared).

US_HLScenarioMerge.shp: We apply the hydrologic landscapes (HL) concept to assess the hydrologic vulnerability of the western United States (U.S.) to projected climate conditions. Our goal is to understand the potential impacts for stakeholder-defined interests across large geographic areas. The basic assumption of the HL approach is that catchments that share similar physical and climatic characteristics are expected to have similar hydrologic characteristics. We map climate vulnerability by integrating the HL approach into a retrospective analysis of historical data to assess variability in future climate projections and hydrology, which includes temperature, precipitation, potential evapotranspiration, snow accumulation, climatic moisture, surplus water, and seasonality of water surplus. This paper illustrates how the HL approach can help assess climatic and hydrologic vulnerability across large spatial scales. By combining the HL concept and climate vulnerability analyses, we provide a planning approach that could allow resource managers to consider how future climate conditions may impact important economic and conservation resources. The data in this data set provides the Feddema Moisture Index, classified climate class, and classified season class for each time decade and 30 yr normal period from 1900-2010 and the 10 analyzed climate model projections described in the manuscript.
DOI: 10.23719/1522621
title: FFPE_DNA_MS_v12_20210211

description: The primary goal of this study was to investigate the effects of whether organocatalyst (ORGΔ) treatment improves DNA-sequencing data by overcoming formalin-induced artifacts from clinical formalin-fixed paraffin-embedded (FFPE) samples.  We isolated RNA and DNA ± ORGΔ from paired FFPE and frozen human renal and ovarian carcinoma specimens collected as part of the National Cancer Institute Biospecimen Pre-analytical Variables program. Tumor types were microscopically confirmed from adjacent tissue sections. Following extraction, DNA was fragmented and sequence differences were compared between frozen and FFPE sample pairs. Treatment with ORGΔ improved concurrent SNP calls in FFPE DNA compared to non-ORGΔ FFPE samples and enhanced confidence in SNP calls for all FFPE DNA samples, beyond that of matched frozen samples. In general, the concordant SNPs identified in paired frozen and FFPE DNA samples agreed for both genotype and homozygosity vs. heterozygosity of calls regardless of ORGΔ treatment. The increased confidence in ORGΔ FFPE DNA variant calls relative to the matched frozen DNA suggests a novel application of this method. With further optimization, this method may improve quality of DNA-sequencing data in frozen as well as FFPE tissue samples. These findings could have important implications for studies using FFPE samples, especially if adequate matched controls are not available.
DOI: 10.23719/1522940
title: Simulating Flood-Induced Soil and Sediment Transport with a Coupled HEC-RAS 2D and WASP Model

description: These datasets contain results of sediment and contaminant transport (arsenic) simulation for 100-year flood in Woodbridge watershed, NJ. The flood discharge is simulated by HEC-HMS model using 24-hours storm and runoff curve number method. HEC-RAS 2D is used to simulate flood with 48-hours duration. The External Coupler program links HEC-RAS 2D and WASP in an offline and one-way direction. The Coupler is developed in python. The source code, executable file, and users’ manual for the program are available in the External Coupler folder. Using hydrodynamic file generated by the External Coupler, WASP simulated sediment and contaminant transport in flood.
DOI: 10.23719/1523129
title: Cognitive tests conducted in male and females offspring that were exposed to Manganese and/or stress during the perinatal period

description: Cognitive tests included in this assessment.
Novel object recognition (NOR) test data: habituation trial, training trial and test trial.
Morris water maze (MWM): Acquisition, reference probe, and reversal challenge 
Differential reinforcement of low rates (DRL): Autoshaping and efficiency data from DRL
Cued and uncued choice reaction time (CRT): Accuracy, Anticipatory responding, decision and movement time.
DOI: 10.23719/1524256
title: 2016_Harsha_EPA_Dataset

description: (1) qPCR and RT-qPCR for cyanotoxin producing genes, and (2) some water quality parameters
DOI: 10.23719/1524299
title: Data for satellites predict lakes at risk from cyanobacteria and microcystin toxins

description: Data for analysis for modeling probability of measuring microcystin toxin, cyanobacteria cell abundance, and chlorophyll a concentration in ~2,200 lakes based on cyanobacteria summer bloom magnitude measured by satellite imagery.
DOI: 10.23719/1526419
title: Evaluating the Mouse Model for Estimation of Arsenic Bioavailability: Comparison of Estimates of Absolute Bioavailability of Inorganic Arsenic in Mouse, Humans, and Other Species 

description: Mouse assays
DOI: 10.23719/1527629
title: removal of strontium by ion exchange and lime softening at eight drinking water treatment plants

description: Strontium concentrations and relevant water chemistry data from 8 ion exchange and lime softening treatment plants
DOI: 10.23719/1527742
title: moon et al 2021 - underlying dataset (selected NLA 2007 and 2012 data)

description: Underlying dataset for the publication 
Stoichiometric imbalances complicate prediction of phytoplankton biomass in U.S. lakes: Implications for nutrient criteria. David L. Moon , J. Thad Scott, Tom R. Johnson. Limnology and Oceanography.  66, 2021, 2967–2978.  doi: 10.1002/lno.11851.
DOI: 10.23719/1527805
title: Ecosystem Services Benefits of Restoration BMPs in Chesapeake Bay

description: Data files provide the 1) baseline county values for each ecosystem service (County_Baseline_FEGS_Values.xlsx), 2) baseline county values for 2019 BMP implementation (County_BMP_2019.xlsx), 3) per acre values associated with BMP implementation for each ecosystem service (BMP_FEGS_Multipliers_PerAcre.xlsx), 4) descriptive connections between watershed outcomes and ecosystem services (FEGS_Outcomes_Connections.xlsx), and 5) descriptive connections between BMPs and ecosystem services or outcomes (BMP_FEGS_Outcome_Connections.xlsx).
DOI: 10.23719/1527817
title: SWAT Model Data Illinois River Watershed Wavelet

description: Data used in the manuscript submission that describes the use of support vector machine and wavelet decomposition for calibration of a SWAT model of the Illinois River Watershed
DOI: 10.23719/1527882
title: Cardiopulmonary effects of isoprene- versus toluene-generated smog

description: This dataset includes cardiovascular and pulmonary endpoints from rats exposed to either filtered air, isoprene-smog or toluene-smog.
DOI: 10.23719/1528061
title: Shoemaker_AOF_CIC_Data_Version_12_07_21_AnalyticalMethods

description: Data set to support journal article published in Analytical Methods that will further the science surrounding the use of AOF-CIC for detection of PFAS as total adsorbable fluorine and support the draft method delivered to OW in September 2021. This manuscript demonstrates that this AOF technique can be a useful PFAS analytical tool in the balancing act between selectivity, sensitivity, and inclusivity
DOI: 10.23719/1528186
title: NARS Lake and Stream Predictor Dataset, V1

description: This dataset allows the user to explore the potential impacts of various environmental and anthropogenic drivers on observed growing season total phosphorus concentrations in lakes and streams across the United States.
DOI: 10.23719/1528293
title: Genetic Fecal Source Identification in Urban Streams Impacted by Municipal Separate Storm Sewer System Discharges

description: Data for Figures 3-6
DOI: 10.23719/1528298
title: NARS data in combination with results data 

description: Source data from the National Aquatic Resource Survey's National Rivers and Streams Assessment containing benthic macroinvertebrate and fish taxa data and environmental predictor variables for stream sites.  Results data contains estimated of taxa richness for invertebrates and fish for both ecoregions and hydrologic units.
DOI: 10.23719/1528306
title: Data supporting draft article "Geographic Analysis of the Vulnerability of U.S. Lakes to Cyanobacterial Blooms under Future Climate"

description: This dataset supports the journal article "Geographic Analysis of the Vulnerability of U.S. Lakes to Cyanobacterial Blooms under Future Climate", by Butcher et al. Two Excel spreadsheets containing the data presented/discussed in this paper will be uploaded to Science HUB. Data summaries include (1) a list of lakes included in the analysis (from 2007 National Lakes Assessment), including latitude/longitude coordinates, key lake physical attributes, and the set of vulnerability and risk metric developed and used in this analysis, and (2) a list of relevant articles identified in the literature and used to develop risk hypotheses used in this analysis. 
All Variable names and units are defined in column headings of each file uploaded to Science HUB. Details about the data and methodology used to develop risk metrics will be described in detail in a published journal article (draft paper will be submitted to the journal Earth Interactions, titled “Geographic Analysis of the Vulnerability of U.S. Lakes to Cyanobacterial Blooms under Future Climate”.
DOI: 10.23719/1528322
title: Sorption modeling data for benzene in polyethylene pipe

description: Benzene concentration time series data during uptake and release from polyethylene drinking water pipes.
DOI: 10.23719/1528421
title: Complete Dataset for TEG (Grignard Pure) Manuscript

description: Complete dataset for "Efficacy of Triethylene Glycol (Grignard Pure) against Bacteriophage MS2 in the Air and on Surfaces".
DOI: 10.23719/1528431
title: Metadata for manuscript

description: The document contains metadata of the information presented in the manuscript.
DOI: 10.23719/1528531
title: Pipe scale analysis

description: A calcium phosphate solid formed as an unintended consequence of a novel high-pH orthophosphate lead corrosion control strategy in Providence, RI, causing some consumer complaints and clogged plumbing. The calcium phosphate initially precipitated at orthophosphate doses above about 2 mg/L as PO4 during field testing, and the extent of precipitation increased with water age and higher temperature. Lab scale tests confirmed that doses above about 2 mg/L were required to form the precipitate in the absence of pre-existing calcium phosphate solids, and that the solid formed quickly at 60 °C (upper range for hot water heaters) and tended to dissolve at lower pH. Solubility modeling and other techniques suggest the solids are a mixture of compounds. For water systems currently practicing a high pH/low alkalinity corrosion control strategy, orthophosphate dosing can enhance plumbosolvency control without risky pH reduction, but calcium hardness puts a constraint on the maximum orthophosphate level that can be applied and tolerated.
DOI: 10.23719/1528700
title: State of Ohio and Cuyahoga River Watershed Nonpoint Source Section 319 Projects

description: The spatial data and metadata are in a Geopackage geodatabase accessible through the open-source geographic information system QGIS, and through R, the open-source statistical computing and graphics software. We studied the spatial distribution of best management practices (BMPs) from US EPA nonpoint source section (§)319 projects in Ohio as means to evaluate their effectiveness. We queried US EPA's Grants Reporting and Tracking System (GRTS) to obtain §319 projects, and their BMPs, completed by 2020-12-31 in the state of Ohio. The spatial layer ohio_bmp has 547 observations containing BMPs associated with specific §319 grant and project numbers, state project numbers, and huc12s. The spatial layer cuya_bmp_update2 has 78 BMP observations from the Cuyahoga River Basin. The fields from GRTS used in our study are described in the Data_Dictionary_of_319project_variables csv and Excel spreadsheet files. Our paper, Decreasing Trends in Total Suspended Solids and Cumulative Effects of Nonpoint Source Projects in the Cuyahoga River Watershed, OH, was published in the June 2023 issue of the Journal of Great Lakes Research. The abstract for that paper is here:
Using the US EPA’s Grants Reporting and Tracking System (GRTS), we test if completion of best management practices (BMPs) through the Clean Water Act Section (§)319 National Nonpoint Source Program was associated with a decreasing trend in total suspended solids (TSS) load (metric tons/year).  The study area chosen had 21 completed projects in the Cuyahoga River watershed in northeastern Ohio from 2000-2017.   The §319 projects ranged from dam removal, floodplain/wetland restoration to stormwater projects.  There was an overall decreasing trend in TSS loads.  We identified three phases of project implementation and completion, where Phase 1 had ongoing projects, but none completed (2000-2004).  The steepest decrease in loads, identified as Phase 2 (2005-2011), was associated with completion of low-head dam modification and removal projects on the mainstem of the Cuyahoga River.  A likely decreasing trend was associated with projects completed in the tributaries, such as natural channel design restoration and stormwater green infrastructure (Phase 3). Pairing sediment reduction estimates from projects with the river’s flow normalized TSS loading trend, we estimated that the §319 effort may account for a small fraction of the TSS load reduction.  Other stream restoration projects (non-§319) have also been done in the Cuyahoga watershed by other organizations.  However, trying to compile these other projects is challenging in larger watersheds having multiple municipalities, agencies, and nonprofits doing restoration without better coordinated record keeping and monitoring.  While a decreasing trend in a pollutant load is a desirable water quality outcome, determining what contributed to that trend remains difficult.
DOI: 10.23719/1529110
title: Dermal and oral exposure risks to heavy metals from 3D Printing metal-fill thermoplastics-Data Set

description: Data that was used to generate the figures in Wade, A.M., D.M. Peloquin, J.M. Matheson, and T.P. Luxton (2023) Dermal and oral exposure risks to heavy metals from 3D printing metal-fill thermoplastics. Science of The Total Environment. 903: p. 166538.
DOI: 10.23719/1529125
title: Organoid fusion videos

description: Videos show the progression of fusion in 3CT organoids in round bottom 96 well plate wells over the course of approximately 24hrs. Mesenchymal cells were stained with Cell Tracker Orange, Epithelial cells were stained with Cell Tracker Green, and Endothelial Cells (not shown) were stained with Cell Tracker Blue. All treatments shown are controls; 0.1% DMSO in Co Culture Media (CnT-PRIME CC CELLnTEC) and were imaged on a confocal (Nikon A/C 2) by taking an image at a constant position (X, Y, and Z) at set intervals (15min for video 1 and 10min for Videos 2-6). After capture, a scale bar was applied, and images were compiled into a video at 10 frames per second in NIS elements (Nikon). In FIJI (ImageJ), the videos were stabilized using the image stabilizer plug-in and manually timestamped.