Experimental and molecular dynamics studies on the durability of sustainable cement-based composites: Reinforced by graphene
Sign Up to like & getrecommendations! Published in 2020 at "Construction and Building Materials"
DOI: 10.1016/j.conbuildmat.2020.119566
Abstract: Abstract Due to the well impervious of graphene-based materials, it has been considered as a potential additive to enhance the durability of a sustainable cement-based material. In this paper, graphene oxide (GO), as a unique… read more here.
Keywords: sustainable cement; cement based; experimental molecular; molecular dynamics ... See more keywords
Experimental and molecular modelling study of beta zeolite as drug delivery system
Sign Up to like & getrecommendations! Published in 2021 at "Microporous and Mesoporous Materials"
DOI: 10.1016/j.micromeso.2021.111152
Abstract: Abstract The theoretical and experimental study of the use of beta-type zeolite as a carrier for the isoniazid drug was evaluated. For that, the study of adsorption isotherm was carried out to understand aspects of… read more here.
Keywords: molecular modelling; zeolite drug; experimental molecular; drug ... See more keywords
Experimental and molecular dynamics simulation study of chemically stable superhydrophobic surfaces
Sign Up to like & getrecommendations! Published in 2021 at "Surface and Coatings Technology"
DOI: 10.1016/j.surfcoat.2021.127236
Abstract: Abstract Experimental and molecular dynamics simulation study was used to clarify the hydrophilicity of substrate surfaces and hydrophobicity of as-prepared surfaces at molecular level. First, an easy one-step approach was utilized to construct superhydrophobic surfaces… read more here.
Keywords: superhydrophobic surfaces; dynamics simulation; experimental molecular; surface ... See more keywords
Combined Experimental and Molecular Simulation Study of Insulin-Chitosan Complexation Driven by Electrostatic Interactions
Sign Up to like & getrecommendations! Published in 2020 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.9b00814
Abstract: Protein-polysaccharide complexes constructed via self-assembly method are often used to develop novel biomaterials for a wide range of applications in biomedicine, food and biotechnology. The objective of this work was to investigate theoretically and to… read more here.
Keywords: driven electrostatic; experimental molecular; complexation; molecular simulation ... See more keywords
Comparative Experimental and Molecular Simulation Study of the Entropic Viscoelasticity of End-Linked Polymer Networks
Sign Up to like & getrecommendations! Published in 2020 at "Macromolecules"
DOI: 10.1021/acs.macromol.0c00972
Abstract: Bifunctional vinyl-terminated poly(dimethylsiloxane) chains are end-linked by tetrafunctional tetrakis(dimethylsiloxy)silane cross-linkers to produce irregular polymer networks with controlled stoi... read more here.
Keywords: comparative experimental; experimental molecular; polymer networks; simulation study ... See more keywords