Моделирование конформационных изменений полиэлектролитов на поверхности поперечно поляризованного во внешнем электрическом поле металлического нанопровода

Авторы

  • М.Г. Кучеренко
  • Н.Ю. Кручинин
  • П.П. Неясов

DOI:

https://doi.org/10.31489/2022No2/19-29

Ключевые слова:

металлический нанопровод, полиэлектролит, конформационные изменения, молекулярная динамика

Аннотация

Золотые нанопровода с адсорбированными на их поверхности полиэлектролитами широко используются в различных биомедицинских исследованиях. В данной работе впервые рассмотрены конформационные изменения полиэлектролитов на поверхности золотого нанопровода, поперечно поляризованного во внешнем электрическом поле. Исследованы свойства специально созданной аналитической модели конформационных перестроек гауссовой макромолекулярной цепи, адсорбированной на поверхности цилиндрического металического нанопровода во внешнем электрическом поле, поперечном к оси нанопровода. С использованием метода молекулярной динамики исследованы конформационные изменения однородно заряженных полипептидов на поверхности поперечно поляризованного золотого нанопровода. На основе аналитической модели и результатов молекулярно-динамического моделирования построены пространственные распределения плотности звеньев полиэлектролита на поверхности нанопровода. При увеличении напряженности внешнего электрического поля наблюдалось асимметричное вытягивание полиэлектролитной опушки в направлении дипольного момента поперечно поляризованного нанопровода.

Биографии авторов

М.Г. Кучеренко

Doctor of phys.-math. sciences, Professor, Director of the Laser and Information Biophysics Centre, Orenburg State University, Orenburg, Russia; Scopus Author ID: 7003581468, clibph@yandex.ru

Н.Ю. Кручинин

Candidate of phys.-math. sciences, Associate Professor, Department of radiophysics and electronics, Orenburg State University, Orenburg, Russia; Scopus Author ID: 35170029600, kruchinin_56@mail.ru

П.П. Неясов

Leading Engineer, Department of the Physics and Methods of Teaching Physics, Orenburg State University, Orenburg, Russia; Scopus Author ID: 57222337052, nejapetr@yandex.ru

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Опубликован

2022-07-15

Как цитировать

Кучеренко M., Кручинин N., & Неясов P. P. (2022). Моделирование конформационных изменений полиэлектролитов на поверхности поперечно поляризованного во внешнем электрическом поле металлического нанопровода. Eurasian Physical Technical Journal, 19(2(40), 19–29. https://doi.org/10.31489/2022No2/19-29

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