cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.23719/1527802
title: Headwater Invertebrate Stream Study invertebrate datasets

description: Aquatic and terrestrial invertebrate density and biomass datasets at genus and family taxonomic levels
DOI: 10.23719/1527806
title: Data set for a PFAS pestilcide pyrifluquinazon + dibutyl phthalate in utero mixture on male rat offspring reproductive development.  Dose Additive effects of dissimilarly acting toxicants 

description: data set has a description of the information in the excell file and all the data used in the study
DOI: 10.23719/1527845
title: Integrative exposomic, transcriptomic, epigenomic analyses of human placental samples links understudied chemicals to preeclampsia

description: Data for "Integrative exposomic, transcriptomic, epigenomic analyses of human placental samples links understudied chemicals to preeclampsia"
DOI: 10.23719/1527867
title: Simulation output results for fate and transformation of nano copper oxide in Lake Waccamaw, NC

description: This work simulated the release of nano copper oxide from boats in Lake Waccamaw, NC for 101 years. Throughout the duration of this study, steady state was not reached, suggesting that concentrations continue to increase during this time. Simulations showed that nano copper oxide and ionic copper accumulated to the highest concentrations in the surface sediments, followed by the deeper sediments. The simulations were sensitive to the heteroaggregation attachment efficiency, which is a function of lake water chemistry and thus site specific. Simulations with lower attachment efficiencies resulted in lower concentrations of nano copper oxide in surface water and sediments, while higher attachment efficiencies showed higher concentrations of nano copper oxide. These results suggest the importance of water chemistry on the potential ecological impact of nano copper oxide. Additionally, a modeling scenario was performed where the use of nano copper oxide on boats ceased after 50 years. Simulated results showed a phase where concentrations of nano copper oxide and ionic copper dropped, followed by a slower reduction in simulated concentrations. In the water column, ionic copper reaches a higher concentration, yet recovery concentrations decrease faster, while nano copper oxide concentrations are lower in the accumulation phase and end up higher in the recovery phase. These results have implications on the potential long-term effects of the use of nano copper oxide.
DOI: 10.23719/1527904
title: gas condensate and aqueous liquids data

description: This is the PFAS concentrations in the various samples analyzed.  These concentrations were used to creat the various graphs and tables in the associated manuscript.
DOI: 10.23719/1527937
title: Data supporting amphibian thyroid model parameterization

description: This dataset was generated to support parameterization of a larval amphibian thyroid axis computational model. Specifically, plasma iodine levels were determined not only to inform a concentration value for model parameter specification in the model, but also to support the notion that aquatic and terrestrial species should be considered substantially different with regard to circulating iodide levels. Other computational model physical parameters were informed by evaluating Xenopus laevis thyroid gland histological images for morphological features including thyroid follicular cell numbers and areas.
DOI: 10.23719/1527942
title: Dataset for A rapid assessment bioaccumulation screening (RABS) study design for emerging per-and polyfluoroalkyl substances in mice exposed to industrially impacted surface water

description: All data tables are available in the publication and uploaded onto ScienceHub.
DOI: 10.23719/1527962
title: Ion Exchange Column Model, Inorganic Anions Dataset (Sep 2022)

description: An ion exchange column model was developed and validated for inorganic ions to understand potential unintended consequences during PFAS treatment.
DOI: 10.23719/1527980
title: Herbicide Drift and Native Plant Reproduction

description: The main date set indicates the flowering response of native plant species treated with herbicides dicamba and glyphosate in field plots.  It includes the notes taken in the field, conversion of notes to a quantitative measure of flowering, and comments for 9 species at two farms on 13 observation times, for 8 replicate plots per species, farm and observation time.  The data sets also include information concerning QA for herbicide treatments and repeated measures of flowering.
DOI: 10.23719/1528113
title: Data_Analysis_HighFlow_LoadExport.zip

description: Data_Analysis_HighFlow_LoadExport
DOI: 10.23719/1528185
title: NRSA data 2000-2014 Deposition Largest N Source Lin et al.

description: NRSA is part of EPA’s National Aquatic Resource Surveys which samples different surface waters (lakes, streams, rivers, wetlands, and near coastal) on a five-year cycle during the growing season. For logistical reasons, each NRSA cycle occurs over at least two years. The foundation of NRSA was the first national probability sample of flowing waters that focused on wadeable systems and took place from 2000-2004 (our Survey 1 or the 1st survey, also known as the Wadeable Streams Assessment, WSA35. Subsequent NRSA surveys sampled all perennial flowing waters in 2008-2009 (the 2nd survey), and 2013-2014 (the 3rd survey) (Fig. S1). Since non-wadeable systems were not sampled during the 2000-2004 survey, we restricted our analyses to systems that have watershed areas < 1000 km2 across all three studied surveys for consistency in the sampled stream population over time. Data on stream total nitrogen (TN), nitrate (NO3), ammonium (NH4) and total organic N (TON) concentrations originated from these summer NRSA surveys when one water sample was taken at each survey site. About 10% of sites were sampled twice during each survey for quality assurance and validation purpose—for these sites, we used only the first sample in this analysis. NRSA field and lab protocols are described in USEPA documents. The detection limits for TN, NO3, and NH4 concentrations are respectively 0.05, 0.05, and 0.005 mg N L-1. Concentrations lower than the detection limits were censored and substituted with the detection limits. NH4 concentrations were generally quite low and near or below detection limits, so we do not examine the NH4 trend. TON concentrations were not directly measured during the survey, hence were calculated as the difference between TN and inorganic N (NO3 plus NH4). Negative TON values were found in 40 sites, and were treated as values below the detection limit. We also included dissolved organic carbon (DOC) concentrations from the surveys in the analysis to further understand changes in stream organic matter over time.  To quantify annual terrestrial N input rates to watersheds, we use watershed-specific NNI data from six major anthropogenic N sources: agricultural N fertilizer, N-fixing crop cultivation, livestock N waste, urban N fertilizer, human N waste, and total N deposition inputs. Annual S deposition rates for NRSA watersheds were also extracted from the inventory and analyzed for temporal changes.  In addition to N deposition rate, total watershed N input rates were calculated by summing all six input sources. Since our focal watersheds can still be under impact from agricultural and urban activities that must also be accounted for, we also calculated agricultural N surplus rate by subtracting crop harvest removal N from the sum of three agricultural inputs, and urban/human N contribution index by combining urban N fertilizer and human N waste input rates. (From the paper methods)
DOI: 10.23719/1528295
title: Lab analytical data

description: chemical concentrations
DOI: 10.23719/1528311
title: Cumulative maternal and neonatal effects of combined exposure to a mixture of perfluorooctanoic acid (PFOA) and perfluorooctane sulfonic acid (PFOS) during pregnancy in the Sprague-Dawley rat data set

description: Data set contains summary data (mean, standard error, sample size) for all measured endpoints from all experiments reported in the published manuscript.
DOI: 10.23719/1528387
title: Mountaintop Removal Coal Mining Impacts on Structural and Functional Indicators in Central Appalachian Streams

description: Mountaintop removal coal mining (MTR) has been a major source of landscape change in the Central Appalachians of the United States (US). Changes in stream hydrology, channel geomorphology and water quality caused by MTR coal mining can lead to severe impairment of stream ecological integrity. The objective of the Clean Water Act (CWA) is to restore and maintain the ecological integrity of the Nation’s waters. Sensitive, readily measured indicators of ecosystem structure and function are needed for the assessment of stream ecological integrity. Most such assessments rely on structural indicators; inclusion of functional indicators could make these assessments more holistic and effective. The goals of this study were: (1) test the efficacy of selected carbon (C) and nitrogen (N) cycling and microbial structural and functional indicators for assessing MTR coal mining impacts on streams; (2) determine whether indicators respond to impacts in a predictable manner and (3) determine if functional indicators are less likely to change than are structural indicators in response to stressors associated with MTR coal mining.
DOI: 10.23719/1528434
title: Targeted Per- and Polyfluoroalkyl Substances (PFAS) Assessments for High Throughput Screening: Analytical and Testing Considerations to Inform a PFAS Stock Quality Evaluation Framework

description: Data for "Smeltz MG, Clifton MS, Henderson WM, McMillan L, Wetmore BA. Targeted Per- and Polyfluoroalkyl substances (PFAS) assessments for high throughput screening: Analytical and testing considerations to inform a PFAS stock quality evaluation framework. Toxicol Appl Pharmacol. 2023 Jan 15;459:116355. doi: 10.1016/j.taap.2022.116355. Epub 2022 Dec 16. PMID: 36535553"
DOI: 10.23719/1528454
title: Characterizing variations in ambient PM2.5 concentrations at the U.S. Embassy in Dhaka, Bangladesh using observations and the CMAQ modeling system

description: Excel data files containing model and ambient PM2.5 concentrations at the U.S. Embassy in Dhaka
DOI: 10.23719/1528539
title: US 9-Region TIMES Model (EPAUS9rT_v20.4) and Results Data for the MHDV Electrification Study 

description: This dataset includes TIMES model files associated with generating scenarios for the paper (https://iopscience.iop.org/article/10.1088/2753-3751/ad958b). The study utilized US EPA's TIMES database version: EPAUS9rT_v20.4. The other file includes underlying data used for figures in the manuscript (FigureData_formatted.xlsx).
DOI: 10.23719/1528715
title: Dataset for ASPIRE-Health: Results of Field Studies in California Communities - Air Quality

description: This dataset is the basis for all figures and tables used in the manuscript. A data dictionary is included describing each parameter and the units for those parameters.
DOI: 10.23719/1528917
title: Spore-Bioretention Cell Stormwater Data

description: These data contain results of a field study evaluating the capture and release of Bacillus globigii spores from two different media filled bioretention cells located in Ohio. Simulated storm events were used to evaluate spore retention in the stormwater control measures.
DOI: 10.23719/1528954
title: A proposed approach to defining per- and polyfluoroalkyl substances (PFAS) based on molecular structure and formula

description: Dataset for "Gaines LGT, Sinclair G, Williams AJ. A proposed approach to defining per- and polyfluoroalkyl substances (PFAS) based on molecular structure and formula. Integr Environ Assess Manag. 2023 Jan 11. doi: 10.1002/ieam.4735. Epub ahead of print. PMID: 36628931"
DOI: 10.23719/1529113
title: Edge-of-field agricultural conservation practice studies in the Corn Belt region

description: Summary dataset showing reviewed literature related to edge-of-field agricultural conservation practices in the Corn Belt region
DOI: 10.23719/1529278
title: UEFW-ConstructedWetlands_MSDataFile_17Jul2023.xlsx

description: Watershed flow and nutrient species measured data for model calibration, Edge-of-field wetland demonstration project flow monitoring and water quality sampling data for assessing treatment performance; UEFW SWAT Model HRU subbasin output for ACPF sited NRWs; summary cost effectiveness results and parameters used in calculating cost effectiveness
DOI: 10.23719/1529358
title: Comparing lead speciation, bioaccessibility, and sources for contaminated house dust and soils collected from similar United States residences

description: X-ray absorption spectroscopy raw data files
DOI: 10.23719/1529431
title: Data for manuscript Neutralization of Ricin Toxin on Building Interior Surfaces Using Liquid Decontaminants

description: These are the raw data underlying the data presented in the manuscript.
DOI: 10.23719/1529539
title: Performance data for enhanced Innovative/Alternative (I/A) septic systems for nitrogen removal installed in a field demonstration in Barnstable, Massachusetts (2021 - 2023) (ver. 1.0, September 2023)

description: Performance data for enhanced I/A septic systems designed for nitrogen removal that were installed during a demonstration project in Barnstable, MA. Includes 1) field and laboratory measurements of water quality parameters in influent, effluent, and lysimeters below leach fields (where available) and 2) metered flow to each system. The initial release (Version 1) includes data collected from 2021-12-10 through 2023-05-03.
DOI: 10.23719/1529582
title: HD Vapor Profiles 091223

description: Measured sulfur mustard vapor concentrations in a 150 liter chamber in the presence of absorptive building materials.
DOI: 10.23719/1529977
title: Establishing performance metrics for quantitative non-targeted analysis: a demonstration using per- and poly-fluoroalkyl substances

description: Non-targeted analysis (NTA) is an increasingly popular technique for characterizing undefined chemical analytes. Generating quantitative NTA (qNTA) concentration estimates requires the use of training data from calibration “surrogates”. The use of surrogate training data can yield diminished performance of concentration estimation approaches. In order to evaluate performance differences between targeted and qNTA approaches, we defined new metrics that convey predictive accuracy, uncertainty (using 95% inverse confidence intervals), and reliability (the extent to which confidence intervals contain true values). We calculated and examined these newly defined metrics across five quantitative approaches applied to a mixture of 29 per- and polyfluoroalkyl substances (PFAS). The quantitative approaches spanned a traditional targeted design using chemical-specific calibration curves to a generalizable qNTA design using bootstrap-sampled calibration values from chemical surrogates.
DOI: 10.23719/1518729
title: Data used to produce figures and tables

description: The data set was used to produce tables and figures in paper.
DOI: 10.23719/1519303
title: Genes Encoding Key Enzymes for Nitrogen Metabolism in Sediment Layers

description: A table (DP_FAMA.xlsx) contains rows as nitrogen pathways genes, columns as sediment layers, and entries representing the abundance of each gene.
DOI: 10.23719/1520052
title: Solvent Suitability for HFPO-DA (“GenX” Parent Acid) in Toxicological Studies Data set

description: The Excel file includes data transcribed from Thermo QualBrowser software into the spreadsheet. The first tab of the spreadsheet is the data dictionary.
DOI: 10.23719/1520161
title: Diet-O3-MS data

description: Dataset for a study examining the cardiovascular effects from acute ozone exposure in rats fed with fish oil or olive oil diets.
DOI: 10.23719/1520491
title: Data for Investigating Exposure to Agrochemical Mixtures in Amphibians

description: GC/MS data resulting from the metabolomic analysis of amphibian livers following exposure to common agrochemicals (fertilizer and pesticides) and their mixtures.
DOI: 10.23719/1520719
title: Quantitative structure activity relationships (QSARs) and machine learning models for abiotic reduction of organic compounds by an aqueous Fe(II) complex

description: Due to the increasing diversity of organic contaminants discharged into anoxic water environments, reactivity prediction is necessary for chemical persistence evaluation for water treatment and risk assessment purposes. Almost all quantitative structure activity relationships (QSARs) that describe rates of contaminant transformation apply only to narrowly-defined, relatively homogenous families of reactants (e.g., dechlorination of alkyl halides). In this work, we develop predictive models for abiotic reduction of 60 organic compounds with diverse reducible functional groups, including nitroaromatic compounds (NACs), aliphatic nitro-compounds (ANCs), aromatic N-oxides (ANOs), isoxazoles (ISXs), polyhalogenated alkanes (PHAs), sulfoxides and sulfones (SOs), and others. Rate constants for their reduction were measured using a model reductant system, Fe(II)-tiron. Qualitatively, the rates followed the order NACs > ANOs  ISXs  PHAs > ANCs > SOs. To develop QSARs, both conventional chemical descriptor-based and machine learning (ML)-based approaches were investigated. Conventional univariate QSARs based on a molecular descriptor ELUMO (energy of the lowest-unoccupied molecular orbital) gave good correlations within classes. Multivariate QSARs combining ELUMO with Abraham descriptors for physico-chemical properties gave slightly improved correlations within classes for NCs and NACs, but little improvement in correlation within other classes or among classes. The ML model obtained covers reduction rates for all classes of compounds and all of the conditions studied with the prediction accuracy similar to those of the conventional QSARs for individual classes (r2 = 0.41-0.98 for univariate QSARs, 0.71-0.94 for multivariate QSARs, and 0.83 for the ML model). Both approaches required a scheme for a priori classification of the compounds for model training. This work offers two alternative modelling approaches to comprehensive abiotic reactivity prediction for persistence evaluation of organic compounds in anoxic water environments.
DOI: 10.23719/1520723
title: San_Juan_Bay-mangrove_stable_isotopes&accretion_rates2016

description: Datasets include nitrogen and carbon stable isotope ratios and sediment accretion rates in radiometrically dated mangrove cores collected from the San Juan Bay Estuary in 2016.
DOI: 10.23719/1520791
title: Fate of Ammonia and Implications for Distribution System Water Quality at Four Ion Exchange Softening Plants with Elevated Source Water Ammonia

description: Water quality data from four full-scale drinking water treatment plants that treat groundwater with high hardness and elevated ammonia using ion exchange. Data were collected approximately monthly over a 1-year study period.
DOI: 10.23719/1520892
title: Fates of Nanoparticles in Simulated Gastric Fluid Studied using Single-Particle-Inductively Coupled Plasma-Mass Spectrometry

description: This study adds to the growing knowledge of the fates of ENPs under conditions that simulate the human stomach. The fates of different nanoparticles after exposure to a simulated human digestion system is highly relevant to understand the impact of ENPs overall as they become more integrated into daily life, potentially resulting in increased exposures. Various factors such as species, size, the concentration of ingested ENPs, and body temperature on the fates of nanoparticles in the human digestion system proved to be varied and complex. This research highlights the need for a better understanding of nanomaterials' properties in the digestive system under other physiologically relevant conditions. This work contributes to an improved understanding of the fates of ENPs in gastric fluid, which gives insights into the gastrointestinal uptake of these ENPs before they enter into the blood circulation and organ systems. It is especially crucial for nanoparticles not completely solubilized in the digestive system's physiological contact time because these ENPs will enter into the other body systems and potentially circulate through the body as particulates. Using this study framework, sequentially studying in other tissues, especially for those ENPs not dissolved in SGF, including Ag-NPs, Au-NPs, and CeO¬2–NPs, would be valuable to evaluate the potential risk of ENPs to human health.
DOI: 10.23719/1520903
title: Long-term assessment of floodplain reconnection as a stream restoration approach for managing nitrogen in ground and surface waters

description: These data are surface water and groundwater chemistry collected at an urban stream in Baltimore MD, USA
DOI: 10.23719/1521088
title: National Criteria and Hazardous Air Pollutant Emissions Totals By Industry 2017

description: This dataset contains 2017 national level criteria and hazardous air pollutant emissions by North American Industry Classification System (NAICS) 2012 6-digit codes. This dataset was created in FLOWSA, a publicly available python package that generates standardized environmental flows by industry.
DOI: 10.23719/1521135
title: Diets Enriched with Coconut, Fish, and Olive Oil Modify Peripheral Metabolic Effects of Ozone in Rats

description: In this study male Wistar Kyoto rats maintained on diets enriched with coconut, fish or olive oil were compared with animals receiving normal diet for 8 weeks. After 8 weeks of dietary regimen, and while on respective diets, animals were exposed to air or 0.8 ppm ozone for 4 hours per day for 2 consecutive days and necropsies were performed post air or ozone exposure within 2 hours. Body weights, food consumption and body composition were assessed during dietary regimen. At necropsy, livers were stained for lipids, serum lipids and metabolic hormones were assessed, and liver, muscle and adipose tissues are assessed for gene expression using targeted Illumina sequencing for selected genes. Based on reviewers comments during revision period, circulating n-3, n-6, n-9 and unsaturated fatty acids were assessed in the serum through collaboration with Jenifer I. Fenton and Travis Goeden, Michigan State University where samples were shipped for analysis of these lipids using mass spectrometry. These data were incorporated in the manuscript (Table 1) and part of figure 3.
DOI: 10.23719/1521154
title: LMR_spatial_temporal_analysis_data

description: This file includes the following data for 25 stream sites in the Little Miami River watershed: diatom operational taxonomic units with their numbers and relative abundances of rbcL gene sequence reads, watershed land cover, and nutrient concentration and conductivity data.
DOI: 10.23719/1521255
title: Augustine, S. (2021). Multiplex Salivary Antibodies Found in Iowa Recreational Riverine Beach Study Participants Dataset.

description: The data contained in this worksheet provides the Median Fluorescence Intensity (MFI) values produced by applying the bead-based multiplex immunoassay to saliva samples serially collected during the Buffalo Shores Beach, Iowa study.  MFI data was analyzed to assess exposure patterns to multiple pathogens.  In the study, we collected an initial sample (S1) at the beach and the remaining samples (S2 and S3) were self-collected by participants 10 -14 and 30 - 40 days later, respectively.