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Biomolecule and anion adsorption by brucite-like Fe(II) hydroxide nanosheet: Potential of mean force analysisтезисы доклада
Информация о цитировании статьи получена из
Scopus
Дата последнего поиска статьи во внешних источниках: 1 октября 2025 г.
- Авторы: Tsukanov Alexey A., Psakhie Sergey G.
- Сборник: AIP Conference Proceedings
- Том: 2051
- Тезисы
- Год издания: 2018
- Издательство: AIP Publishing LLC
- Местоположение издательства: United States
- Первая страница: 020309
- Последняя страница: 020309
- Номер статьи: 020309
- DOI: 10.1063/1.5083552
- Аннотация: 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. Topics: Molecular dynamics, Nanomaterials, Nanoparticle, Minerals, Layered double hydroxides, Therapeutics
- Добавил в систему: Цуканов Алексей Алексеевич