Predicting aquatic toxicity of anionic hydrocarbon and perfluorinated surfactants using membrane-water partition coefficients from coarse-grained simulations
(2025)
Journal Article
Gredelj, A., Roberts, J., Kearney, E. M., Barrett, E. L., Haywood, N., Sheffield, D., Hodges, G., & Miller, M. A. (2025). Predicting aquatic toxicity of anionic hydrocarbon and perfluorinated surfactants using membrane-water partition coefficients from coarse-grained simulations. Environmental Science: Processes & Impacts, 27(4), 1131-1144. https://doi.org/10.1039/d4em00649f
Anionic surfactants are widely used in commercial and industrial applications. For assessment of their environmental fate and effects, it is highly desirable to quantify the membrane-water partition/distribution coefficient (Kmw/Dmw). Here, we furthe... Read More about Predicting aquatic toxicity of anionic hydrocarbon and perfluorinated surfactants using membrane-water partition coefficients from coarse-grained simulations.