Physiologically-Based Kinetic Modeling of Intravenously Administered Gold (Au) Nanoparticles.
Sign Up to like & getrecommendations! Published in 2023 at "Small"
DOI: 10.1002/smll.202207326
Abstract: Physiologically-based kinetic (PBK) modeling is a valuable tool to understand the kinetics of nanoparticles (NPs) in vivo. However, estimating PBK parameters remains challenging and commonly requires animal studies. To develop predictive models to estimate PBK… read more here.
Keywords: based kinetic; pbk parameter; physiologically based; pbk parameters ... See more keywords
Towards first-principles based kinetic modeling of biomass fast pyrolysis
Sign Up to like & getrecommendations! Published in 2017 at "Biomass Conversion and Biorefinery"
DOI: 10.1007/s13399-017-0251-0
Abstract: Biomass conversion to chemicals and fuels through fast pyrolysis shows great potential but requires a more fundamental approach for its deployment. To this end, molecular-based kinetic modeling is starting to play a central role in… read more here.
Keywords: kinetic modeling; fast pyrolysis; pyrolysis; biomass ... See more keywords
pksensi: An R package to apply global sensitivity analysis in physiologically based kinetic modeling
Sign Up to like & getrecommendations! Published in 2020 at "SoftwareX"
DOI: 10.1016/j.softx.2020.100609
Abstract: Sensitivity analysis (SA) is an essential tool for modelers to understand the influence of model parameters on model outputs. It is also increasingly used in developing and assessing physiologically based kinetic (PBK) models. For instance,… read more here.
Keywords: package; physiologically based; sensitivity; model ... See more keywords
Development of a Generic Physiologically Based Kinetic Model for the Prediction of Internal Exposure to Organophosphate Pesticides
Sign Up to like & getrecommendations! Published in 2024 at "Environmental Science & Technology"
DOI: 10.1021/acs.est.4c06534
Abstract: Since their introduction into agriculture, the toxicity of organophosphate (OP) pesticides has been widely studied in animal models. However, next generation risk assessment (NGRA) intends to maximize the use of novel approach methodologies based on… read more here.
Keywords: generic physiologically; development; based kinetic; physiologically based ... See more keywords
Human Internal Exposures of Bisphenol A and Six Data-Poor Analogs Predicted by Physiologically Based Kinetic Models with Multimodal Parametrization
Sign Up to like & getrecommendations! Published in 2025 at "Environmental Science & Technology"
DOI: 10.1021/acs.est.5c00513
Abstract: Bisphenols (BP) AF, B, E, F, M, and S are increasingly used as bisphenol A (BPA) substitutes. Despite widespread exposure and potential adverse health outcomes, they are poorly understood in terms of toxicokinetics, i.e., their… read more here.
Keywords: based kinetic; human internal; physiologically based; multimodal parametrization ... See more keywords
Asymmetric Dihydroxylation-Based Kinetic Resolution of Allylic Amides Enabled by Noncovalent π-Interactions.
Sign Up to like & getrecommendations! Published in 2022 at "Organic letters"
DOI: 10.1021/acs.orglett.2c03486
Abstract: While Sharpless asymmetric dihydroxylation is widely utilized to convert various alkenes into diols with excellent enantioselectivies, kinetic resolution by means of this fundamental catalysis has generally proven to be ineffective. Here we report that, by… read more here.
Keywords: based kinetic; noncovalent interactions; resolution; asymmetric dihydroxylation ... See more keywords
A DFT-based kinetic Monte Carlo simulation of multiphase oxide-metal thin film growth
Sign Up to like & getrecommendations! Published in 2024 at "Journal of Applied Physics"
DOI: 10.1063/5.0189427
Abstract: Functional thin films of nanoscale metal pillars in oxide or nitride matrices known as vertically aligned nanocomposite (VAN) have gained much interest owing to their unique strain-coupled and highly anisotropic properties. So far, the deposition… read more here.
Keywords: pillar size; based kinetic; deposition; growth ... See more keywords
Use of Physiologically Based Kinetic Modeling-Facilitated Reverse Dosimetry to Predict In Vivo Acute Toxicity of Tetrodotoxin in Rodents
Sign Up to like & getrecommendations! Published in 2022 at "Toxicological Sciences"
DOI: 10.1093/toxsci/kfac022
Abstract: Abstract In this study, the ability of a new in vitro/in silico quantitative in vitro–in vivo extrapolation (QIVIVE) methodology was assessed to predict the in vivo neurotoxicity of tetrodotoxin (TTX) in rodents. In vitro concentration–response… read more here.
Keywords: based kinetic; response data; vivo; methodology ... See more keywords
Quantitative Morphometric, Physiological, and Metabolic Characteristics of Chickens and Mallards for Physiologically Based Kinetic Model Development
Sign Up to like & getrecommendations! Published in 2022 at "Frontiers in Physiology"
DOI: 10.3389/fphys.2022.858283
Abstract: Physiologically based kinetic (PBK) models are a promising tool for xenobiotic environmental risk assessment that could reduce animal testing by predicting in vivo exposure. PBK models for birds could further our understanding of species-specific sensitivities… read more here.
Keywords: based kinetic; characteristics chickens; chickens mallards; physiologically based ... See more keywords