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NANOSYSTEMS: PHYSICS, CHEMISTRY, MATHEMATICS, 2021, 12 (5), P. 598–602

Energy relaxation in molecular systems containing salt ions

M. A. Baranov – Peter the Great St. Petersburg Polytechnic University, Polytechnicheskaya, 29, Saint Petersburg, 195251, Russia; baranovma1993@gmail.com
E. N. Velichko – Peter the Great St. Petersburg Polytechnic University, Polytechnicheskaya, 29, Saint Petersburg, 195251, Russia; velichko-spbstu@yandex.ru
E. K. Nepomnyashchaya – Peter the Great St. Petersburg Polytechnic University, Polytechnicheskaya, 29, Saint Petersburg, 195251, Russia; elina.nep@gmail.com
I.V. Pleshakov – Ioffe Institute, 26 Politechnicheskaya str., Saint Petersburg, 194021, Russia; ivanple@yandex.ru

In this paper, we consider relaxation processes in molecular systems containing single biomolecule and salt ions. The energy fluctuations in such systems were evaluated using computer simulations. The comparative analysis of the free energy dynamics of alanine, tryptophan, and albumin biomolecules in constructed molecular systems (aqueous solutions with different degrees of ionization) resulted in high influence of ionizing impurities on the full energy of the system and on the energy relaxation time. The results obtained can be used for development of hybrid micro- and nanoelectronic devices with built-in biomolecular objects, for example, biochemical sensors, devices with microflow of liquids, technology for the preparation of molecular films, etc.

Keywords: self-organization, proteins, molecular dynamics, biomolecular electronics, energy relaxation.

PACS 05.40.-a, 05.65.+b, 02.70.Ns, 87.14.Ee, 87.15.He

DOI 10.17586/2220-8054-2021-12-5-598-602

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