Biomolecule and Anion Adsorption by Brucite-Like Fe(II) Hydroxide Nanosheet: Potential of Mean Force Analysis
| Parent link: | AIP Conference Proceedings Vol. 2051 : Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2018 (AMHS’18).— 2018.— [020309, 4 p.] |
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| Summary: | Title screen The use of low-dimensional nanomaterials as a bioactive nanoagent or as a component of a hierarchical bioactive nanoparticle has a rapidly expanding range of therapeutic and diagnostic applications. An important role in these applications belongs to low-dimensional nanostructures of metal hydroxides and oxyhydroxides owing to the unique combination of their structural, chemical, and physical properties. Two-dimensional hydroxides consisting of biodegradable components such as iron compounds are of special interest for biomedical applications. An important aspect in the determination of nanomaterial behavior within biological microenvironment is the interaction of the material surface with biomolecules and extracellular ions. Aiming to understand the molecular-scale features of two-dimensional Fe(II) hydroxide interaction with biological microenvironment, we performed a series of steered molecular dynamics simulations and estimated the adsorption free energies of three typical biomolecules and anions. The results were compared with the previously obtained data for gamma-aluminum oxyhydroxide and layered double hydroxide nanosheets. Режим доступа: по договору с организацией-держателем ресурса |
| Language: | English |
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2018
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| Online Access: | https://doi.org/10.1063/1.5083552 |
| Format: | Electronic Book Chapter |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=659252 |