The role of defects in the formation of hierarchical AlOOH-based nanomaterials for biomedical applications

Alexey A. Tsukanov, Sergey G. Psakhie

Результат исследований: Глава в книге, отчете, сборнике статейМатериалы для конференциирецензирование

1 Цитирования (Scopus)

Аннотация

An important component of modern biomedicine is the development and use of hybrid bioactive nanomaterials with a hierarchical structure. The unique physical and chemical properties of low-dimensional aluminum oxyhydroxide nanomaterials with an irregular structure make it a promising base for the creation of hierarchical nanoagents with biological activity. Therefore, it is of fundamental and applied importance to study the interaction of organic molecules and ions of a biological medium with irregular fragments of folded (crumpled) two-dimensional aluminum oxyhydroxide nanostructures. This paper uses all-atom molecular dynamics models to investigate numerically the interaction of AlOOH fragments with a biomolecule and the formation of a hybrid nanocomplex in the zone of a nanosheet defect. The free energy of hybrid complex formation in the region with an irregular structure of AlOOH is estimated using steered molecular dynamics. It is shown by the example of a defect observed as nanosheet folding with a kink that the irregular regions of low-dimensional nanomaterial can play a major role in the adsorption of ions of a biological medium and the formation of hierarchical organo-inorganic complexes with bioactive molecules.

Язык оригиналаАнглийский
Название основной публикацииMechanics, Resource and Diagnostics of Materials and Structures, MRDMS 2018
Подзаголовок основной публикацииProceedings of the 12th International Conference on Mechanics, Resource and Diagnostics of Materials and Structures
РедакторыSunder Ramasubbu, Eduard S. Gorkunov, Victor E. Panin
ИздательAmerican Institute of Physics Inc.
ISBN (электронное издание)9780735417816
DOI
СостояниеОпубликовано - 19 дек. 2018
Опубликовано для внешнего пользованияДа
Событие12th International Conference on Mechanics, Resource and Diagnostics of Materials and Structures, MRDMS 2018 - Ekaterinburg, Российская Федерация
Продолжительность: 21 мая 201825 мая 2018

Серия публикаций

НазваниеAIP Conference Proceedings
Том2053
ISSN (печатное издание)0094-243X
ISSN (электронное издание)1551-7616

Конференция

Конференция12th International Conference on Mechanics, Resource and Diagnostics of Materials and Structures, MRDMS 2018
Страна/TерриторияРоссийская Федерация
ГородEkaterinburg
Период21/05/1825/05/18

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