Insulin adsorption on functionalized silica surfaces: an accelerated molecular dynamics study
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-018-3610-2
Abstract: We study the influence of surface functionalization of a silica surface on insulin adsorption using accelerated molecular dynamics simulation. Three different functional groups are studied, CH3, OH, and COOH. Due to the partial charges of… read more here.
Keywords: adsorption; surface polarity; molecular dynamics; accelerated molecular ... See more keywords
Influence of Bulk Polarization and Surface Polarity on Surface Reconstructions and Related Local Properties of Multiferroic BiFeO3 Film
Sign Up to like & getrecommendations! Published in 2017 at "Microscopy and Microanalysis"
DOI: 10.1017/s1431927617008972
Abstract: 1. Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons, Research Centre Jülich, Jülich, Germany. 2. Peter Grünberg Institute, Research Centre Jülich, Jülich, Germany. 3. Institute for Theoretical Physics, ETH Zürich, Zürich, Switzerland. 4. The School… read more here.
Keywords: polarization surface; influence bulk; surface polarity; microscopy ... See more keywords
Impact of Surface Polarity on Lipid Assembly under Spatial Confinement
Sign Up to like & getrecommendations! Published in 2022 at "Langmuir"
DOI: 10.1021/acs.langmuir.2c00636
Abstract: Molecular dynamics (MD) simulations in the MARTINI model are used to study the assembly of 1-palmitoyl-2-oleoylphosphatidylcholine (POPC) molecules under spatial confinement, such as during solvent evaporation from ultrasmall (femtoliter quantity) droplets. The impact of surface… read more here.
Keywords: impact surface; surface polarity; spatial confinement; polarity ... See more keywords
Structure, Properties, and Phase Transformations of Water Nanoconfined between Brucite-like Layers: The Role of Wall Surface Polarity
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DOI: 10.3390/ma15093043
Abstract: The interaction of water with confining surfaces is primarily governed by the wetting properties of the wall material—in particular, whether it is hydrophobic or hydrophilic. The hydrophobicity or hydrophilicity itself is determined primarily by the… read more here.
Keywords: surface polarity; water; structure; structure properties ... See more keywords