Biomolecule and Anion Adsorption by Brucite-Like Fe(II) Hydroxide Nanosheet: Potential of Mean Force Analysis

Biomolecule and Anion Adsorption by Brucite-Like Fe(II) Hydroxide Nanosheet: Potential of Mean Force Analysis

Bibliographic Details
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.]
Main Author: Tsukanov A. A. Aleksey Alekseevich
Corporate Author: Национальный исследовательский Томский политехнический университет Инженерная школа новых производственных технологий Отделение материаловедения
Other Authors: Psakhie S. G. Sergey Grigorievich
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
Published: 2018
Subjects:
электронный ресурс
труды учёных ТПУ
адсорбция
биомолекулы
анионы
наноматериалы
наночастицы
молекулярная динамика
энергия
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

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