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

  • CHEMICAL PHYSICS OF POLYMER MATERIALS
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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.

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Funding

The study was financially supported by the Russian Ministry of Science and Higher Education as part of scientific project no. FSGU-2020-0003.

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Authors and Affiliations

  1. Orenburg State University, Orenburg, Russia

    M. G. Kucherenko, P. P. Neyasov & N. Yu. Kruchinin

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  1. M. G. Kucherenko
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  2. P. P. Neyasov
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  3. N. Yu. Kruchinin
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Correspondence to P. P. Neyasov.

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Kucherenko, M.G., Neyasov, P.P. & Kruchinin, N.Y. Modeling Conformational Rearrangements of a Macromolecule Adsorbed on a Metal Nanoparticle in an External Electric Field. Russ. J. Phys. Chem. B 17, 745–754 (2023). https://doi.org/10.1134/S1990793123030053

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  • DOI: https://doi.org/10.1134/S1990793123030053

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