EPJ Web Conf.
Volume 224, 2019IV International Conference “Modeling of Nonlinear Processes and Systems” (MNPS-2019)
|Number of page(s)||4|
|Section||Mathematical Modeling in Biology, Chemistry and Earth’s Sciences|
|Published online||09 December 2019|
Fermentative Metal – Containing Bio-Nano complexes, Quantum Chemical Models of Their Active Centers and Applications in Biotechnologies
Moscow State Technological University “STANKIN”, RU-127055, Moscow, Russia
2 FGBUN ICTS RAS, RU-127055 Moscow, Russia
* e-mail: email@example.com
Published online: 9 December 2019
The general structure and the functional universal mechanism of the active centers of the fermentative metal-containing bio-nanocomplexes are discussed on the basis of the quantum-chemical approach using the conception “protein — machine”. The process, proceeding taking place in the active centers structure is the result of their interaction with the substrates. The active centers quantum-chemical models represent the electron distribution among the complex molecular orbitals (MO). The interaction of the central ions with the ligands is carried out by the donor-acceptor mechanism: the ions provide the connection of the vacant orbitals and connection of the vacant orbitals and the ligands — the unshared electron pair. One of the coordination bonds is functional, using for the interaction with substrates. From the quantum-chemical point of view the functional mechanism of the bio-nanocomplexes is universal. In the final, it is reduced to the functional electron accepting and the leaving in the molecular antibonding orbitals of the complex, inducing the active center transitions from one state to another. The electron-conformational transitions, the active centers changes at its functioning, the role of its protein surrounding may be explained on a basis of the conception “protein — machine”. The specific properties of the investigated bio-nanosystems are involved in the using of the internal valuable information, that is the process is a wave and occurs self-correlatively, and may be described by Kolmogorov-Petrovskii-Piskunov mathematical model. It is fair to say that the discussing bio-nanosystems are the natural intellectual tools, which may be used in the nanobiotechnologies and the spheres of its application are wide. It is necessary to conclude that the metal-containing bio-nanocomplexes are the self-organizing, self-congruent, nonlinear, open systems.
© The Authors, published by EDP Sciences, 2019
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