Conformational Changes of Uniformly Charged Polyelectrolyte Chains on the Surface of a Polarized Gold Nanoparticle: Molecular Dynamics Simulation and the Theory of a Gaussian Chain in a Field
被引:11
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作者:
Kruchinin, N. Yu
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机构:
Orenburg State Univ, Ctr Laser & Informat Biophys, Orenburg 460018, RussiaOrenburg State Univ, Ctr Laser & Informat Biophys, Orenburg 460018, Russia
Kruchinin, N. Yu
[1
]
Kucherenko, M. G.
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机构:
Orenburg State Univ, Ctr Laser & Informat Biophys, Orenburg 460018, RussiaOrenburg State Univ, Ctr Laser & Informat Biophys, Orenburg 460018, Russia
Kucherenko, M. G.
[1
]
Neyasov, P. P.
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机构:
Orenburg State Univ, Ctr Laser & Informat Biophys, Orenburg 460018, RussiaOrenburg State Univ, Ctr Laser & Informat Biophys, Orenburg 460018, Russia
Neyasov, P. P.
[1
]
机构:
[1] Orenburg State Univ, Ctr Laser & Informat Biophys, Orenburg 460018, Russia
polarized nanoparticle;
polyelectrolyte;
electrically induced conformational changes;
molecular dynamics;
Gaussian macromolecular chain in the field of a nanoparticle;
D O I:
10.1134/S003602442102014X
中图分类号:
O64 [物理化学(理论化学)、化学物理学];
学科分类号:
070304 ;
081704 ;
摘要:
The conformational changes of uniformly charged polypeptides adsorbed on the surface of a polarized gold nanoparticle are studied by means of molecular dynamics. The dependences of the average angular distributions and the radial density of polyelectrolyte atoms on the nanoparticle's surface are calculated. A gradual displacement of the polyelectrolyte units into the hemisphere with the opposite charge is observed on the surface of a polarized gold nanoparticle, along with pronounced rarefaction of the outer layer of the adsorbed chain relative to the inner one in this hemisphere of the nanoparticle. An analytical model is presented of the conformational changes in the polyelectrolyte, based on the equation for the dynamics of a Gaussian chain in the potential field of a polarized nanoparticle. A picture of the deformed edge of the polyelectrolyte and the radial angular dependences of its unit density on the surface of a polarized nanoparticle is constructed according to the analytical model.
机构:
Stockholm Univ, Dept Biochem & Biophys, Ctr Biomembrane Res, S-10691 Stockholm, Sweden
Stockholm Univ, Stockholm Bioinformat Ctr, Dept Biochem & Biophys, S-10691 Stockholm, SwedenStockholm Univ, Dept Biochem & Biophys, Ctr Biomembrane Res, S-10691 Stockholm, Sweden
Bjelkmar, Par
Niemela, Perttu S.
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机构:
VTT Tech Res Ctr Finland, Espoo, FinlandStockholm Univ, Dept Biochem & Biophys, Ctr Biomembrane Res, S-10691 Stockholm, Sweden
Niemela, Perttu S.
Vattulainen, Ilpo
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机构:
Aalto Univ, Dept Appl Phys, Helsinki, Finland
Univ So Denmark, Dept Phys, Memphys Ctr Biomembrane Phys, Odense, Denmark
Tampere Univ Technol, Dept Phys, FIN-33101 Tampere, FinlandStockholm Univ, Dept Biochem & Biophys, Ctr Biomembrane Res, S-10691 Stockholm, Sweden
Vattulainen, Ilpo
Lindahl, Erik
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机构:
Stockholm Univ, Dept Biochem & Biophys, Ctr Biomembrane Res, S-10691 Stockholm, Sweden
Stockholm Univ, Stockholm Bioinformat Ctr, Dept Biochem & Biophys, S-10691 Stockholm, SwedenStockholm Univ, Dept Biochem & Biophys, Ctr Biomembrane Res, S-10691 Stockholm, Sweden