"Rearrangement of the conformational structure of polyampholytes on the surface of a metal nanowire in a transverse microwave electric field "
DOI:
https://doi.org/10.31489/2021No1/16-28Keywords:
polyampholytes, metal nanowire, conformational changes, molecular dynamics, microwave electric fieldAbstract
"Molecular dynamics has been employed to study the rearrangement of the conformational structure of polyampholytes adsorbed on the surface of a gold nanowire with a periodic change in time of its polarity in the transverse direction at an ultrahigh frequency. The radial distributions of the atomic density of the polypeptide and its angular distributions on the nanowire surface have been calculated. At high temperatures, temporary fluctuations in the conformational structure of the adsorbed polyampholyte polypeptide were observed. In this case, for half the period of the nanowire polarity change, the macrochain conformation changed from dense enveloping of the nanowire to an elongated conformational structure along the dipole moment of the nanowire. At low temperature and the nanowire dipole moment, the swelling of the fringe of the adsorbed polyampholyte was observed with a displacement of most of its links to one side with respect to the plane perpendicular to the direction of the nanowire dipole moment and passing through its axis. At low temperature and high values of the nanowire dipole moment, the polyampholyte polypeptide was desorbed from the nanowire surface. An analytical model of conformational rearrangements of a polyampholyte Gaussian chain in the form of an external field perturbation theory is presented. "
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