7 results match your criteria: "Center for Computational Toxicology and Ecology[Affiliation]"

Combining In Vitro and In Silico New Approach Methods to Investigate Type 3 Iodothyronine Deiodinase Chemical Inhibition Across Species.

Environ Toxicol Chem

May 2023

Office of Research and Development, Center for Computational Toxicology and Ecology, Great Lakes Toxicology and Ecology Division, US Environmental Protection Agency, Duluth, Minnesota.

New approach methodologies (NAMs) are being developed to reduce and replace vertebrate animal testing in support of ecotoxicology and risk assessment. The US Environmental Protection Agency's Sequence Alignment to Predict Across Species Susceptibility (SeqAPASS) bioinformatic tool was used to evaluate amino acid sequence conservation of the type 3 iodothyronine deiodinase (DIO3) enzyme across species to demonstrate NAM applications for understanding effects of chemical interactions with a specific protein target. Existing literature was used to identify critical amino acids for thyroid hormone binding and interaction with a reducing cofactor.

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Revitalization of natural capital amenities at the Great Lakes waterfront can result from sediment remediation, habitat restoration, climate resilience projects, brownfield reuse, economic redevelopment and other efforts. Practical indicators are needed to assess the socioeconomic and cultural benefits of these investments. We compiled U.

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Acute Toxicity of Major Geochemical Ions to Fathead Minnows (Pimephales promelas): Part B-Modeling Ion Toxicity.

Environ Toxicol Chem

September 2022

Great Lakes Toxicology and Ecology Division, Center for Computational Toxicology and Ecology, US Environmental Protection Agency, Office of Research and Development, Duluth, Minnesota, USA.

Mathematical models are presented for the acute median lethal concentrations of major geochemical ions (Na , K , Ca , Mg , Cl , SO , HCO /CO ) to fathead minnows (Pimephales promelas), based on an extensive series of experiments presented in a companion article. Toxicity relationships across different dilution waters, individual salts, and salt mixtures suggest six independent mechanisms of toxicity to consider in modeling efforts, including Mg/Ca-specific toxicity, osmolarity-related toxicity, SO -specific toxicity, K-specific toxicity, effects of high pH/alkalinity, and a multiple ion-related toxicity at low Ca distinct from the other mechanisms. Models are evaluated using chemical activity-based exposure metrics pertinent to each mechanism, but concentration-based alternative models that are simpler to apply are also addressed.

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Acute Toxicity of Major Geochemical Ions to Fathead Minnows (Pimephales Promelas): Part A-Observed Relationships for Individual Salts and Salt Mixtures.

Environ Toxicol Chem

September 2022

Great Lakes Toxicology and Ecology Division, Center for Computational Toxicology and Ecology, US Environmental Protection Agency, Office of Research and Development, Duluth, Minnesota, USA.

The results of a series of experiments on the acute toxicity of major geochemical ions (Na , K , Ca , Mg , Cl , SO , HCO /CO ) to fathead minnows (Pimephales promelas) are reported. Tests of individual major ion salts in various dilution waters demonstrated that the toxicities of Na, Mg, and K salts decrease as the overall ion content of the dilution water increases. For Na and Mg salts, this is attributable to Ca content as previously reported for Ceriodaphnia dubia.

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Assessing relative performance of different sampling methods used for early detection monitoring (EDM) is a critical step in understanding the likelihood of detecting new non-indigenous species (NIS) in an environment of interest. EDM performance metrics are typically based on the probability of detecting established NIS or rare indigenous species; however, detection probability estimates for these proxies may not accurately reflect survey effectiveness for newly introduced NIS. We used data from three different EDM survey approaches that varied by targeted life-stage (adult-juvenile versus ichthyoplankton), media (physical fish versus environmental DNA), and taxonomic method (morphology-based versus DNA-based taxonomy) to explore relative detection sensitivity for recently introduced white bass () and gizzard shad () in the Port of Duluth-Superior, a NIS introduction hot spot within the Laurentian Great Lakes.

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Xenopus laevis and human type 3 iodothyronine deiodinase enzyme cross-species sensitivity to inhibition by ToxCast chemicals.

Toxicol In Vitro

June 2021

Great Lakes Toxicology and Ecology Division, Center for Computational Toxicology and Ecology, Office of Research and Development, U.S. Environmental Protection Agency, Duluth, MN, USA. Electronic address:

Deiodinase enzymes are critical for tissue-specific and temporal control of activation or inactivation of thyroid hormones during vertebrate development, including amphibian metamorphosis. We previously screened ToxCast chemicals for inhibitory activity toward human recombinant Type 3 iodothyronine deiodinase enzyme (hDIO3) and subsequently produced Xenopus laevis recombinant dio3 enzyme (Xldio3) with the goals to identify specific chemical inhibitors of Xldio3, to evaluate cross-species sensitivity and explore whether the human assay results are predictive of the amphibian. We identified a subset of 356 chemicals screened against hDIO3 to test against Xldio3, initially at a single concentration (200 μM), and further tested 79 in concentration-response mode.

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Evaluation of a multiplexed, multispecies nuclear receptor assay for chemical hazard assessment.

Toxicol In Vitro

April 2021

Attagene, Inc., 7030 Kit Creek Rd, Morrisville, NC 27560, United States of America.

Sensitivity to potential endocrine disrupting chemicals in the environment varies across species and is influenced by sequence conservation of their nuclear receptor targets. Here, we evaluated a multiplexed, in vitro assay testing receptors relevant to endocrine and metabolic disruption from five species. The TRANS-FACTORIAL™ system of human nuclear receptors was modified to include additional species: mouse (Mus musculus), frog (Xenopus laevis), zebrafish (Danio rerio), chicken (Gallus gallus), and turtle (Chrysemys picta).

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