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分子信号接收过程中超分子体系构象与对称性变化的理论描述

Theoretical Description of Changes in Conformation and Symmetry of Supramolecular Systems During the Reception of a Molecular Signal.

作者信息

Gorovoy Yuriy, Rodionova Natalia, Stepanov German, Petrova Anastasia, Penkova Nadezda, Penkov Nikita

机构信息

Faculty of Digital Systems, Yaroslavl State Technical University, Yaroslavl 150023, Russia.

OOO "NPF "MATERIA MEDICA HOLDING", Moscow 129272, Russia.

出版信息

Int J Mol Sci. 2025 Jul 3;26(13):6411. doi: 10.3390/ijms26136411.

Abstract

Aqueous solutions are not homogeneous and could be considered supramolecular systems. They can emit electromagnetic waves. Electromagnetic emission from one supramolecular system ("source") can be received by another supramolecular system ("receiver") without direct contact (distantly). This process represents a transfer of a "molecular signal" and causes changes in conformation and symmetry of the "receiver". The aim of the current work is to theoretically describe such changes primarily using a solution of the chiral protein interferon-gamma (IFNγ) as an example. We provide theoretical evidence that supramolecular systems of highly diluted (HD) aqueous solutions formed by self-assembly after mechanical activation generate a stronger molecular signal compared to non-activated solutions, due to their higher energy-saturated state. Additionally, molecular signals cause supramolecular systems with complex (including chiral) structures to undergo easier changes in conformation and symmetry compared to simpler systems, enhancing their biological activity. Using statistical physics, we obtained the parameter , characterizing the magnitude of conformational and symmetry changes in supramolecular (including chiral) systems caused by molecular signals. In quantum information science, there is an analogue of the parameter , which characterizes the entanglement depth of quantum systems. This study contributes to the understanding of the physico-chemical basis of distant molecular interactions and opens up new possibilities for controlling the properties of complex biological and chemical systems.

摘要

水溶液并非均匀的,可被视为超分子体系。它们能够发射电磁波。一个超分子体系(“源”)发出的电磁辐射可被另一个超分子体系(“接收器”)在无直接接触(远距离)的情况下接收。这一过程代表着“分子信号”的传递,并会导致“接收器”的构象和对称性发生变化。当前工作的目的是主要以手性蛋白干扰素 -γ(IFNγ)溶液为例,从理论上描述此类变化。我们提供了理论证据,表明机械活化后通过自组装形成的高度稀释(HD)水溶液的超分子体系,由于其更高的能量饱和状态,与未活化的溶液相比,会产生更强的分子信号。此外,与结构更简单的体系相比,分子信号会使具有复杂(包括手性)结构的超分子体系在构象和对称性上更容易发生变化,从而增强其生物活性。利用统计物理学,我们得到了参数 ,它表征了分子信号引起的超分子(包括手性)体系构象和对称性变化的幅度。在量子信息科学中,存在该参数的类似物,它表征量子体系中的纠缠深度。这项研究有助于理解远距离分子相互作用的物理化学基础,并为控制复杂生物和化学体系的性质开辟了新的可能性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a090/12249780/2ec18fecae54/ijms-26-06411-g001.jpg

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