Structure and Undulations of Escin Adsorption Layer at Water Surface Studied by Molecular Dynamics.

ABSTRACT: The saponin escin, extracted from horse chestnut seeds, forms adsorption layers with high viscoelasticity and low gas permeability. Upon deformation, escin adsorption layers often feature surface wrinkles with characteristic wavelength. In previous studies, we investigated the origin of this behavior and found that the substantial surface elasticity of escin layers may be related to a specific combination of short-, medium-, and long-range attractive forces, leading to tight molecular packing in the layers. In the current study, we performed atomistic molecular dynamics simulations of 441 escin molecules in a dense adsorption layer with an area per molecule of 0.49 nm². We found that the surfactant molecules are less submerged in water and adopt a more upright position when comp

SUBMITTER: Tsibranska S 

PROVIDER: S-EPMC8618613 | biostudies-literature | 2021 Nov

REPOSITORIES: biostudies-literature