Biomolecule and anion adsorption by brucite-like Fe(II) hydroxide nanosheet: Potential of mean force analysis

Alexey A. Tsukanov, Sergey G. Psakhie

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

1 Citation (Scopus)

Abstract

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.

Original languageEnglish
Title of host publicationProceedings of the Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures
EditorsVasily M. Fomin, Victor E. Panin, Sergey G. Psakhie
PublisherAmerican Institute of Physics Inc.
ISBN (Electronic)9780735417779
DOIs
Publication statusPublished - 12 Dec 2018
Externally publishedYes
EventInternational Symposium on Hierarchical Materials: Development and Applications for New Technologies and Reliable Structures 2018 - Tomsk, Russian Federation
Duration: 1 Oct 20185 Oct 2018

Publication series

NameAIP Conference Proceedings
Volume2051
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Conference

ConferenceInternational Symposium on Hierarchical Materials: Development and Applications for New Technologies and Reliable Structures 2018
Country/TerritoryRussian Federation
CityTomsk
Period1/10/185/10/18

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