Modeling Conformational Rearrangements of a Macromolecule Adsorbed on a Metal Nanoparticle in an External Electric Field

M. G. Kucherenko; Кучеренко М. Г.; P. P. Neyasov; Неясов П. П.; N. Yu. Kruchinin; Кручинин Н. Ю.

doi:10.31857/S0207401X23050059

Modeling Conformational Rearrangements of a Macromolecule Adsorbed on a Metal Nanoparticle in an External Electric Field

Authors: Kucherenko M.G.¹, Neyasov P.P.¹, Kruchinin N.Y.¹
Affiliations:
1. Orenburg State University
Issue: Vol 42, No 5 (2023)
Pages: 51-60
Section: Chemical physics of polymeric materials
URL: https://journal-vniispk.ru/0207-401X/article/view/139899
DOI: https://doi.org/10.31857/S0207401X23050059
EDN: https://elibrary.ru/GDFCWH
ID: 139899

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Abstract
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Abstract

The properties of a specially created analytical model of conformational rearrangements of a Gaussian macromolecular chain adsorbed on the surface of a metal nanoparticle in an external electric field are investigated. The results of calculations based on this model of the structure of polyelectrolyte chains and molecular dynamics (MD) modeling of polypeptide conformations near a gold nanoparticle are presented. It is found that an increase in the strength of the external electric field leads to a displacement of the links of the macromolecular edge to one of the poles of the polarized nanoparticle.

Keywords

polarized nanoparticle, polyelectrolyte, conformational changes, Gaussian model of the macromolecular chain, molecular dynamics

References

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