Science Inventory

<< Previous

Next >>

Direct monitoring of chemical concentrations in different environmental and biological media is critical to understanding the mechanisms by which human and ecological receptors are exposed to exogenous chemicals. Monitoring data provides evidence of chemical occurrence in differe...

There have been many attempts to compile comprehensive lists of flame retardants. However, this goal has proven challenging due to the heterogeneity of compounds that can be used as flame retardants coupled with changes in formulation chemistry over time. Flame retardants have be...

During the past few decades, the science of toxicology has been undergoing a transformation from observational to predictive science. New approach methodologies (NAMs), including&nbsp;in vitro&nbsp;assays,&nbsp;in silico&nbsp;models, read-across, and&nbsp;in vitro&nbsp;to&nbsp;in...

&nbsp; The learning objectives for my talk are:&nbsp; Why we might need to use high throughput toxicokinetics (HTTK) for many chemicals in commerce and the environment What aspects of human variability are described by HTTK tools What aspects of human variability remain to be ad...

I would like to show the figures from our recently submitted Kapraun et al. paper to the HTTK Community of Practice.

The growing application of Quantitative Structural Activity Relationship (QSAR) principles to the field of computational toxicology motivates many QSAR modelers to present binary predictions, rather than continuous predictions, to their toxicological audiences. Additionally, the ...

The methods and software tools implemented in non-targeted analysis (NTA) are numerous, allowing for highly customizable workflows with varying chemical space coverage. Predicting or defining this applicability domain for each workflow remains a challenge. An additional need ther...

High resolution mass spectrometry (HRMS) and non-targeted analysis (NTA) are advancing the identification of emerging contaminants in environmental matrices, improving the means by which exposure analyses can be conducted.&nbsp; However, confidence in structure identification of ...

Paraben exposure assessments must estimate and predict doses received by persons with typical exposures and highly-exposed individuals. Exposures from product use can be significant sources of exposure for these chemicals, especially methyl ,ethyl ,propyl ,and butyl parabenzoic a...

Deterministic exposure estimates across media and chemicals are the product of pollutant concentrations and a series of pathway-specific exposure factors. These estimates are strengthened with greater data resolution and more data sources. However, published measurement studies c...

The USEPA provides databases that agglomerate data provided by companies or states reporting emissions, release, wastes generated and other activities to meet statutory requirements. Examples of these databases, often referred to as inventories, include the National Emissions Inv...

New approach methodologies (NAMs) make use of in vitro high-throughput data and in silico approaches to translate in vitro bioactivities to administered dose equivalents for safety assessment. Per- and polyfluoroalkyl substances (PFAS) have become chemicals of concern for human h...

When toxicokinetic (TK) variability occurs across different populations or lifestages, identical external chemical exposures may yield differing systemic concentrations, and may subsequently result in differing health impacts. In vitro -in vivo extrapolation (IVIVE) modeling that...

Under ideal circumstances, any time someone wished to know the concentration of a given organic chemical in water, they could take a sample and analyze it. However, you&rsquo;ve probably experienced that this is no trivial task. Imagine if you needed to know the concentrations of...

The emissions of volatile organic compounds (VOCs) and semi-volatile organic compounds (SVOCs) from indoor materials pose an adverse effect on people&rsquo;s health. In this study, a new analytical model was developed to simulate emission behaviors for both VOCs and SVOCs. Based ...

Under ideal circumstances, any time someone wished to know the concentration of a given organic chemical in water, they could take a sample and analyze it. However, you&rsquo;ve probably experienced that this is no trivial task. Imagine if you needed to know the concentrations of...

There is an increasing need for comparable and harmonized retention times (tR) in liquid chromatography (LC) among different laboratories, to provide supplementary evidence for the identity of compounds in high-resolution mass spectrometry (HRMS)-based suspect and nontarget scree...

To date, there have been many attempts made to compile comprehensive lists of flame retardants. However, this has proven challenging due to the heterogeneity of compounds that can be used as flame retardants coupled with changes in formulation chemistry over time. For example, le...

Thousands of chemicals can be observed in surface waters, but it is a complex task to prioritize which of those chemicals may pose a higher relative risk to freshwater aquatic environments in the United States, considering inconsistent data availability on both the hazard and exp...

The U.S. Environmental Protection Agency&rsquo;s (EPA&rsquo;s) Office of Research and Development previously developed high-throughput quantitative structure-use relationship (QSUR) models that use the structure of chemicals to predict their functional use in consumer products an...

One constant across exposure science is a poor data landscape for many chemicals in commerce. Fortunately, machine learning has become an increasingly common approach to fill such gaps in scientific knowledge. A common application of machine learning (ML) in drug-discovery and to...

This presentation describes ongoing ExpoCast research related to characterizing exposures and risks associated with near-field chemical sources.

We need to know chemical hazard, exposure, and toxicokinetics to assess risk posed to the public health. There are tens of thousands of chemicals in commerce in the environment that lack some of these data. New approach methodologies (NAMs) are being developed to prioritize these...

Dr. John Wambaugh of the US EPA Center for Computational Toxicology and Exposure gives advice on careers in Toxicology to a class at Penn State University.

EPA Releases new CompTox Chemicals Dashoard &ndash;&nbsp;The result of a two-year project to update the online tool's information technology architecture. New release maintains the established navigation users are accustomed to and&nbsp;enhances the user experience by implementin...