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This article is cited in 3 scientific papers (total in 3 papers)
CHEMISTRY AND MATERIAL SCIENCE
Molecular dynamics simulation of the rearrangement of polyampholyte conformations on the surface of a charged oblate metal nanospheroid in a microwave electric field
Nikita Yu. Kruchinin Orenburg State University, Center of Laser and Informational Biophysics, Orenburg, Russia
Abstract:
Using molecular dynamics, the rearrangement of the conformational structure of polyampholytes on the surface of a gold oblate nanospheroid in an alternating electric field was studied depending on the value of its total charge. On the surface of the nanospheroid, at its high total charge and at small amplitude of the alternating electric field strength vector, polyampholyte loops stretched over the entire surface of the nanospheroid. With an increase in the amplitude of the electric field in the equatorial region of the nanospheroid, an annular polyampholytic fringe was formed, ordered by the types of links depending on the distance to the polarization axis of the nanoparticle. In the case of high simulation temperature, the shape of the annular fringe changed twice over a period: in one case, ordering according to the types of links along the polarization axis of the nanospheroid, and in the other case, perpendicular to it.
Keywords:
polyampholyte, oblate metallic nanospheroid, conformational changes, adsorption, molecular dynamics.
Received: 08.09.2023 Revised: 30.10.2023 Accepted: 05.11.2023
Citation:
Nikita Yu. Kruchinin, “Molecular dynamics simulation of the rearrangement of polyampholyte conformations on the surface of a charged oblate metal nanospheroid in a microwave electric field”, Nanosystems: Physics, Chemistry, Mathematics, 14:6 (2023), 719–728
Linking options:
https://www.mathnet.ru/eng/nano1240 https://www.mathnet.ru/eng/nano/v14/i6/p719
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