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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
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Affiliations:
- Orenburg State University
- Issue: Vol 42, No 5 (2023)
- Pages: 51-60
- Section: Chemical physics of polymeric materials
- URL: https://cijournal.ru/0207-401X/article/view/674867
- DOI: https://doi.org/10.31857/S0207401X23050059
- EDN: https://elibrary.ru/GDFCWH
- ID: 674867
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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.
About the authors
M. G. Kucherenko
Orenburg State University
Email: nejapetr@yandex.ru
Orenburg, Russia
P. P. Neyasov
Orenburg State University
Email: nejapetr@yandex.ru
Orenburg, Russia
N. Yu. Kruchinin
Orenburg State University
Author for correspondence.
Email: nejapetr@yandex.ru
Orenburg, Russia
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