AndreaBozzo/ceres-open-data-index huggingface dataset:
Persistence of Initial Conditions in Continental Scale Air Quality Simulations

This dataset contains the data used in Figures 1 – 6 and Table 2 of the technical note "Persistence of Initial Conditions in Continental Scale Air Quality Simulations". 

This dataset is associated with the following publication:
Hogrefe, C., S. Roselle, and J. Bash. Persistence of initial conditions in continental scale air quality simulations.   ATMOSPHERIC ENVIRONMENT. Elsevier Science Ltd, New York, NY, USA, 160: 36-45, (2017).

Tags: inert-tracers, initial-conditions, soil-concentrations, spin-up-period
Organization: U.S. Environmental Protection Agency
EPA Contribution to Manuscript "Evaluation and Error Apportionment of an Ensemble of Atmospheric Chemistry Transport Modelling Systems: Multi-variable Temporal and Spatial Breakdown"

This dataset contains the data contributed by EPA/ORD/NERL/CED researchers to the manuscript "Evaluation and Error Apportionment of an Ensemble of Atmospheric Chemistry Transport Modelling Systems: Multi-variable Temporal and Spatial Breakdown " led by Dr. Efisio Solazzo of the European Commission's Joint Research Center. 

This dataset is associated with the following publication:
Solazzo, E., R. Bianconi, C. Hogrefe, G. Curci, P. Tuccella, U. Alyuz, A. Balzarini, R. Baro, R. Bellasio, J. Bieser, J. Brandt, J. Christensen, A. Colette, X. Francis, A. Fraser, M. Garcia Vivanco, P. Jiménez-Guerrero, U. Im, A. Manders, U. Nopmongcol, N. Kitwiroon, G. Pirovano, L. Pozzoli, M. Prank, R. Sokhi, A. Unal, G. Yarwood, and S. Galmarini. Evaluation and error apportionment of an ensemble of atmospheric chemistry transport modeling systems: multivariable temporal and spatial breakdown.   Atmospheric Chemistry and Physics. Copernicus Publications, Katlenburg-Lindau,  GERMANY, 17: 3001-3054, (2017).

Tags: aqmeii, model-evaluation, model-intercomparision, ozone-persistence, scale-analysis
Organization: U.S. Environmental Protection Agency
Predicted phototoxicities of carbon nano-material by quantum mechanical calculations

The data involves a prediction of phototoxicities of nano-materials.  The prediction is based on the calculated triplet excited states of fullerenols and single-walled carbon nanotubes.  The model used is one previously published using actual phototoxicities of polynuclear aromatic hydrocarbons and their calculated triplet excited states. 

This dataset is associated with the following publication:
Betowski, D. Predicted phototoxicities of carbon nano-material by quantum mechanical calculations.   Journal of Molecular Graphics and Modelling. Elsevier B.V., Amsterdam,  NETHERLANDS, 75: 102-105, (2017).

Tags: ab-initio-calculations, fullerenols, phototoxicity, single-walled-carbon-nanotubes
Organization: U.S. Environmental Protection Agency
Development and Multi-laboratory Verification of U.S. EPA Method 543 for the Analysis of Drinking Water Contaminants by On-Line Solid Phase Extraction-LC/MS/MS

A drinking water method for seven pesticides and pesticide degradates was developed that addresses the occurrence monitoring needs of the U.S. Environmental Protection Agency (EPA) for a future Unregulated Contaminant Monitoring Regulation (UCMR).  The method employs on-line solid phase extraction-liquid chromatography/tandem mass spectrometry (SPE-LC/MS/MS).  On-line SPE-LC/MS/MS has the potential to offer cost-effective, faster, more sensitive, and more rugged methods than the traditional off-line SPE approach due to complete automation of the SPE process, as well as seamless integration with the LC/MS/MS system.  Multi-laboratory data are presented that demonstrate method ruggedness and transferability.  The final method meets all of the EPA’s UCMR survey requirements for sample collection and storage, precision, accuracy, and sensitivity. 

This dataset is associated with the following publication:
Shoemaker , J. Development and Multi-laboratory Verification of US EPA Method 543 for the Analysis of Drinking Water Contaminants by Online Solid Phase Extraction-LC–MS-MS.   Journal of Chromatographic Science. Preston Publications Incorporated, Niles, IL, USA, 54(9): 1532-1539, (2016).

Tags: contaminant-candidate-list, drinking-water, lc-ms-ms, method-543, on-line-spe, pesticides
Organization: U.S. Environmental Protection Agency
Wind tunnel evaluation of Hi-Vol TSP effectiveness data

Wind tunnel evaluation of EPA's Hi-Vol TSP sampler for sampling effectiveness with regards to aerodynamic particle diameter (5 to 35 microns), wind speed (2, 8, 24 km/hr), orientation (0, 45, and 90 degrees relative to wind vector), and operational state (ON or OFF). A Coulter Counter analysis of the three Arizona Test Dust mixtures is presented. 

This dataset is associated with the following publication:
Krug, J., A. Dart, C. Witherspoon, J. Gilberry, Q. Malloy, S. Kaushik, and R. Vanderpool. Review of the of EPA's High-Volume Total Size Selective Performance  (Hi-Vol TSP) Sampler.   AEROSOL SCIENCE AND TECHNOLOGY. Taylor & Francis, Inc., Philadelphia, PA, USA, 0(0): 1-20, (2017).

Tags: hi-vol-tsp, size-selective-performance, total-suspended-particulate, wind-tunnel
Organization: U.S. Environmental Protection Agency
Examining the impacts of increased corn production on groundwater quality using a coupled modeling system

This dataset was used to create graphics associated with manuscript:  Garcia et al., Examining the impacts of increased corn production on groundwater quality using a coupled modeling system, 2017, Science of the Total Environment. 

This dataset is associated with the following publication:
Garcia, V., E. Cooter, J. Crooks, B. Hinckley, M. Murphy, and X. Xing. Examining the impacts of increased corn production on groundwater quality using a coupled modeling system.   SCIENCE OF THE TOTAL ENVIRONMENT. Elsevier BV, AMSTERDAM,  NETHERLANDS, 586: 16-24, (2017).

Tags: epic, groundwater, irrigated-corn, nitrate-in-groundwater, nitrogen
Organization: U.S. Environmental Protection Agency
Chemicals and harmonized functions

Chemicals and harmonized functions -  dataset of chemicals mapped to a harmonized chemical function category. 

This dataset is associated with the following publication:
Isaacs , K., M. Goldsmith, P. Egeghy , K. Phillips, R. Brooks, T. Hong, and J. Wambaugh. Characterization and prediction of chemical functions and weight fractions in consumer products.   Toxicology Reports. Elsevier B.V., Amsterdam,  NETHERLANDS, 3: 723-732, (2016).

Tags: chemical-function, chemical-prioritization, consumer-products, cosmetics, expocast, exposure-modeling, machine-learning
Organization: U.S. Environmental Protection Agency
Importance of predictor variables for models of chemical function

Importance of random forest predictors for all classification models of chemical function. 

This dataset is associated with the following publication:
Isaacs , K., M. Goldsmith, P. Egeghy , K. Phillips, R. Brooks, T. Hong, and J. Wambaugh. Characterization and prediction of chemical functions and weight fractions in consumer products.   Toxicology Reports. Elsevier B.V., Amsterdam,  NETHERLANDS, 3: 723-732, (2016).

Tags: chemical-function, chemical-prioritization, consumer-products, cosmetics, expocast, exposure-modeling, machine-learning
Organization: U.S. Environmental Protection Agency
Chemical product and function dataset

Merged product weight fraction and chemical function data. 

This dataset is associated with the following publication:
Isaacs , K., M. Goldsmith, P. Egeghy , K. Phillips, R. Brooks, T. Hong, and J. Wambaugh. Characterization and prediction of chemical functions and weight fractions in consumer products.   Toxicology Reports. Elsevier B.V., Amsterdam,  NETHERLANDS, 3: 723-732, (2016).

Tags: chemical-function, chemical-prioritization, consumer-products, cosmetics, expocast, exposure-modeling, machine-learning
Organization: U.S. Environmental Protection Agency
Chemical Function Predictions for Tox21 Chemicals

Random forest chemical function predictions for Tox21 chemicals in personal care products uses and "other" uses. 

This dataset is associated with the following publication:
Isaacs , K., M. Goldsmith, P. Egeghy , K. Phillips, R. Brooks, T. Hong, and J. Wambaugh. Characterization and prediction of chemical functions and weight fractions in consumer products.   Toxicology Reports. Elsevier B.V., Amsterdam,  NETHERLANDS, 3: 723-732, (2016).

Tags: chemical-function, chemical-prioritization, consumer-products, cosmetics, expocast, exposure-modeling, machine-learning
Organization: U.S. Environmental Protection Agency
Data for Arsenic Paper

Contains data related to Arsenate and Arsenite injections into chlorinated distribution system simulator. Contains data related to model to predict arsenate and arsenite aqueous and wall concentrations within a chlorinated water distribution system. 

This dataset is associated with the following publication:
Burkhardt, J., J. Szabo, S. Klosterman, J. Hall, and R. Murray. Modeling Fate and Transport of Arsenic in a Chlorinated Distribution System.   ENVIRONMENTAL MODELLING AND SOFTWARE. Elsevier Science Ltd, New York, NY, USA, 93(1): 322-331, (2017).

Tags: adsorption, drinking-water, homeland-security, modeling, water-distribution, water-quality, water-security
Organization: U.S. Environmental Protection Agency
Data for manuscript titled "Historical trends in PM2.5 related premature mortality during 1990-2010 across the northern hemisphere"

This manuscript has 6 figures:
Figure 1 shows the modeling domain and includes a map with the different analysis sub-regions. Shapefiles to be used with ArcGIS for re-creating this figure is included. 

The file named “EHP_data_summary” is and Excel file and includes the data used in creation of Figures 2-6.  

Note that these data files are a result of extensive data processing of many terra-bytes of model output from the hemispheric WRF-CMAQ model.  The manuscript includes details on how this analysis was conducted, and other data-sets incorporated. 

This dataset is associated with the following publication:
Wang, J., J. Xing , R. Mathur , J. Pleim , S. Wang, C. Hogrefe , M. Gan , D. Wong , and J. Hao. Historical Trends in PM2.5-Related Premature Mortality during 1990-2010 across the Northern Hemisphere.   ENVIRONMENTAL HEALTH PERSPECTIVES. National Institute of Environmental Health Sciences (NIEHS), Research Triangle Park, NC, USA, 125(3): 400–408, (2017).

Tags: air-pollution-exposure, air-quality-trends, emission-mitigation-efficiency, hemispheric-cmaq, pm2-5-long-term-exposure
Organization: U.S. Environmental Protection Agency
The Acute Toxicity of Major Ion Salts to Ceriodaphnia dubia: I. Influence of background water chemistry.

This dataset provides concentration-response data and associated general chemistry conditions for 26 experiments consisting of 149 tests regarding the acute toxicity of major ions to Ceriodaphnia dubia in a variety of test waters; it also provides LC50 estimates and the estimated ion mixtures at the LC50 for each toxicity test. 

This dataset is associated with the following publication:
Mount , D., R. Erickson , T. Highland , R. Hockett , D. Hoff , T. Norberg-King , K. Peterson, Z.  Polaske, and S. Wisniewski. The acute toxicity of major ion salts to Ceriodaphnia dubia: I. Influence of background water chemistry.   ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, USA, 35(12): 3039-3057, (2016).

Tags: acute-toxicity, ceriodaphnia-dubia, freshwater, major-ion-toxicity, test-water-chemistry-effects
Organization: U.S. Environmental Protection Agency
Temperature profiles of three types CNTs (SWCNT, MWCNT and MWCNT-COOH) loaded environmental matrices generated from a microwave induced heating quantification method

Relationships of temperature and CNT mass (SWCNT, MWCNT, MWCNT-COOH) were developed for three environmental matrices (sand, soil and sludge) spiked with known amounts of different types of CNTs that were then irradiated in a microwave at low energies (70-149 W) for a short time (15-30 sec). Temperature rises data were recorded for CNT loaded environmental samples with excess of inorganic/organic carbon and other carbonaceous nanomaterials (C60, GAC and GO). 

This dataset is associated with the following publication:
He, Y., S. Al-Abed, and D. Dionysiou. Quantification of Carbon Nanotubes in Different Environmental Matrices by a Microwave Induced Heating Method.  D. Barcelo, and Jay Gan  SCIENCE OF THE TOTAL ENVIRONMENT. Elsevier BV, AMSTERDAM,  NETHERLANDS, 580: 509-517, (2017).

Tags: anaerobic-sludge, carbon-nanotubes, microwave-method, quantitative-analysis, quartz-sand, soil
Organization: U.S. Environmental Protection Agency
Dataset for Probabilistic estimation of residential air exchange rates for population-based exposure modeling

This dataset provides the city-specific air exchange rate measurements, modeled, literature-based as well as housing characteristics. 

This dataset is associated with the following publication:
Baxter, L., C. Stallings, L. Smith, and J. Burke. Probabilistic estimation of residential air exchange rates for population-based human exposure modeling.   Journal of Exposure Science and Environmental Epidemiology. Nature Publishing Group, London,  UK, 27: 227-234, (2017).

Tags: air-exchange-rates, air-pollution, exposure-error, exposure-modeling, infiltration, model-evaluation
Organization: U.S. Environmental Protection Agency
Experimental and fate and transport model simulation results of Se and B released from FGDG, soil and soil-FGDG mixture.

The leachate concentrations of Se and B released from FGDG, soil and soil-FGDG mixture obtained from EPA-method 1314 is included in the data set. The non-equilibrium partitioning coefficients calculated based on the experimental data also included along with the predicted NPC values calculated using a regression model based on a power function. Long term environmental release of Se and B in agricultural field and a landfill calculated using fate and transport model simulation also included in the data set. 

This dataset is associated with the following publication:
Koralegedara, N., S. Al-Abed , M. Arambewela, and D. Dionysiou. Impact of Leaching Conditions on Constituents Release from Flue Gas Desulfurization Gypsum (FGDG) and FGDG-Soil Mixture.  Edith Rene, Robin Gerlach, Peter Galaz, Davide Zannoni and Piet Lens  JOURNAL OF ENVIRONMENTAL MANAGEMENT. Elsevier Science Ltd, New York, NY, USA, 324: 83-93, (2017).

Tags: boron, element-leaching, epa-leaching-methods, fgdg-soil-mixture, flue-gas-desulfurization-gypsum, selenium
Organization: U.S. Environmental Protection Agency
CMAQv5.1 Base NEIv2 AQS Hourly site compare output

CMAQv5.1 Base NEIv2 AQS Hourly site compare output containing paired model/ob values that were used for some of the plots in the manuscript. 

This dataset is associated with the following publication:
Appel, W., S. Napelenok, K. Foley, H. Pye, C. Hogrefe, D. Luecken, J. Bash, S. Roselle, J. Pleim, H. Foroutan, B. Hutzell, G. Pouliot, G. Sarwar, K. Fahey, B. Gantt, D. Kang, R. Mathur, D. Schwede, T. Spero, D. Wong, J. Young, and N. Heath. Description and evaluation of the Community Multiscale Air Quality (CMAQ) modeling system version 5.1.   Geoscientific Model Development. Copernicus Publications, Katlenburg-Lindau,  GERMANY, 10: 1703-1732, (2017).

Tags: air-quality-model, cmaq, model-evaluation, wrf
Organization: U.S. Environmental Protection Agency
Complex conductivity results to silver nanoparticles in partically saturated laboratory columns

Laboratory complex conductivity data from partially saturated sand columns with silver nanoparticles. This dataset is not publicly accessible because: It involves two universities and the EPA.  The EPA collaborated in the research; but did not provide funding.  The data are the property of the universities. It can be accessed through the following means: The authors can be contacted individually for the data. Format: The data will be in xlsx format. 

This dataset is associated with the following publication:
Abdel Aal, G., E. Atekwana, and D. Werkema. Complex conductivity response to silver nanoparticles in partially saturated sand columns.   JOURNAL OF APPLIED GEOPHYSICS. Elsevier Science Ltd, New York, NY, USA, 137: 73-81, (2017).

Tags: complex-conductivity, nanoparticles, nanosilver
Organization: U.S. Environmental Protection Agency
Chemical Alterations of Pb using Flue Gas Desulfurization Gypsum (FGDG) in two contaminated soils

The data include chemical composition of Pb contaminated soils by adding FGDG as an amendment.  The data shows the changes in Pb speciation to sulfur based minerals. 

This dataset is associated with the following publication:
Koralegedara, N., S. Al-Abed, S. Rodrigo, R. Karna, K. Scheckel, and D. Dionysiou. Alterations of lead speciation by sulfate from addition of flue gas desulfurization gypsum (FGDG) in two contaminated soils.  D. Barcelo  SCIENCE OF THE TOTAL ENVIRONMENT. Elsevier BV, AMSTERDAM,  NETHERLANDS, 575: 1522-1529, (2017).

Tags: anglesite, ferrihydrite-bound-pb, flue-gas-desulfurization-gypsum, humic-acid-bound-pb, leaching-test, leadhillite
Organization: U.S. Environmental Protection Agency
CMAQv5.1 TUCL and RetroPhot ACONC files

January and July monthly average ACONC files for the CMAQv5.1 TUCL and RetroPhot sensitivity runs that were performed and presented in the manuscript. 

This dataset is associated with the following publication:
Appel, W., S. Napelenok, K. Foley, H. Pye, C. Hogrefe, D. Luecken, J. Bash, S. Roselle, J. Pleim, H. Foroutan, B. Hutzell, G. Pouliot, G. Sarwar, K. Fahey, B. Gantt, D. Kang, R. Mathur, D. Schwede, T. Spero, D. Wong, J. Young, and N. Heath. Description and evaluation of the Community Multiscale Air Quality (CMAQ) modeling system version 5.1.   Geoscientific Model Development. Copernicus Publications, Katlenburg-Lindau,  GERMANY, 10: 1703-1732, (2017).

Tags: air-quality-model, cmaq, model-evaluation, wrf
Organization: U.S. Environmental Protection Agency
CMAQv502 Base AQS Hourly site compare output

Monthly AQS hourly site compare output files for the CMAQv502 Base simulation. Monthly files contain hourly paired model/ob data for the AQS network. These data were used in some of model/ob plot provided in the manuscript. 

This dataset is associated with the following publication:
Appel, W., S. Napelenok, K. Foley, H. Pye, C. Hogrefe, D. Luecken, J. Bash, S. Roselle, J. Pleim, H. Foroutan, B. Hutzell, G. Pouliot, G. Sarwar, K. Fahey, B. Gantt, D. Kang, R. Mathur, D. Schwede, T. Spero, D. Wong, J. Young, and N. Heath. Description and evaluation of the Community Multiscale Air Quality (CMAQ) modeling system version 5.1.   Geoscientific Model Development. Copernicus Publications, Katlenburg-Lindau,  GERMANY, 10: 1703-1732, (2017).

Tags: air-quality-model, cmaq, model-evaluation, wrf
Organization: U.S. Environmental Protection Agency
Site compare scripts and output

Monthly site compare scripts and output used to generate the model/ob plots and statistics in the manuscript. The AQS hourly site compare output files are not included as they were too large to store on ScienceHub. The files contain paired model/ob values for the various air quality networks. 

This dataset is associated with the following publication:
Appel, W., S. Napelenok, K. Foley, H. Pye, C. Hogrefe, D. Luecken, J. Bash, S. Roselle, J. Pleim, H. Foroutan, B. Hutzell, G. Pouliot, G. Sarwar, K. Fahey, B. Gantt, D. Kang, R. Mathur, D. Schwede, T. Spero, D. Wong, J. Young, and N. Heath. Description and evaluation of the Community Multiscale Air Quality (CMAQ) modeling system version 5.1.   Geoscientific Model Development. Copernicus Publications, Katlenburg-Lindau,  GERMANY, 10: 1703-1732, (2017).

Tags: air-quality-model, cmaq, model-evaluation, wrf
Organization: U.S. Environmental Protection Agency
CMAQv5.1 Base NEIv1 AQS hourly site compare files

CMAQv5.1 Base NEIv1 AQS hourly sitex files containing hourly paired model/ob data for the AQS network. 

This dataset is associated with the following publication:
Appel, W., S. Napelenok, K. Foley, H. Pye, C. Hogrefe, D. Luecken, J. Bash, S. Roselle, J. Pleim, H. Foroutan, B. Hutzell, G. Pouliot, G. Sarwar, K. Fahey, B. Gantt, D. Kang, R. Mathur, D. Schwede, T. Spero, D. Wong, J. Young, and N. Heath. Description and evaluation of the Community Multiscale Air Quality (CMAQ) modeling system version 5.1.   Geoscientific Model Development. Copernicus Publications, Katlenburg-Lindau,  GERMANY, 10: 1703-1732, (2017).

Tags: air-quality-model, cmaq, model-evaluation, wrf
Organization: U.S. Environmental Protection Agency
Chemical Transport Model Simulations of Organic Aerosol in Southern California: Model Evaluation and Gasoline and Diesel Source Contributions

Gasoline- and diesel-fueled engines are ubiquitous sources of air pollution in urban environments. They emit both primary particulate matter and precursor gases that react to form secondary particulate matter in the atmosphere. In this work, we use experimentally derived inputs and parameterizations to predict concentrations and properties of organic aerosol (OA) from mobile sources in southern California using a three-dimensional chemical transport model, the Community Multiscale Air Quality Model (CMAQ). The updated model includes secondary organic aerosol (SOA) formation from unspeciated intermediate volatility organic compounds (IVOC). Compared to the treatment of OA in the traditional version of CMAQ, which is commonly used for regulatory applications, the updated model did not significantly alter the predicted OA mass concentrations but it did substantially improve predictions of OA sources and composition (e.g., POA-SOA split), and ambient IVOC concentrations. The updated model, despite substantial differences in emissions and chemistry, performs similar to a recently released research version of CMAQ. Mobile sources are predicted to contribute about 30–40 % of the OA in southern California (half of which is SOA), making mobile sources the single largest source contributor to OA in southern California. The remainder of the OA is attributed to non-mobile anthropogenic sources (e.g., cooking, biomass burning) with biogenic sources contributing less than 5 % to the total OA. Gasoline sources are predicted to contribute about thirteen times more OA than diesel sources; this difference is driven by differences in SOA production. Model predictions highlight the need to better constrain multi-generational oxidation reactions in chemical transport models. 

This dataset is associated with the following publication:
Jathar, S., M. Woody, H. Pye, K. Baker, and A. Robinson. Chemical transport model simulations of organic aerosol in southern California: model evaluation and gasoline and diesel source contributions.   Atmospheric Chemistry and Physics. Copernicus Publications, Katlenburg-Lindau,  GERMANY, 17: 4305-4318, (2017).

Tags: aerosol, california, calnex, diesel, gasoline, jathar, secondary-organic-aerosol, soa, vehicles
Organization: U.S. Environmental Protection Agency
ACONC Files

ACONC files containing simulated ozone and PM2.5 fields that were used to create the model difference plots shown in the journal article. 

This dataset is associated with the following publication:
Appel, W., S. Napelenok, K. Foley, H. Pye, C. Hogrefe, D. Luecken, J. Bash, S. Roselle, J. Pleim, H. Foroutan, B. Hutzell, G. Pouliot, G. Sarwar, K. Fahey, B. Gantt, D. Kang, R. Mathur, D. Schwede, T. Spero, D. Wong, J. Young, and N. Heath. Description and evaluation of the Community Multiscale Air Quality (CMAQ) modeling system version 5.1.   Geoscientific Model Development. Copernicus Publications, Katlenburg-Lindau,  GERMANY, 10: 1703-1732, (2017).

Tags: air-quality-model, cmaq, model-evaluation, wrf
Organization: U.S. Environmental Protection Agency