生物分子物质与玻璃形成材料的同构动力学性质

IF 2.4 3区 化学 Q4 CHEMISTRY, PHYSICAL Chemical Physics Pub Date : 2025-03-01 Epub Date: 2024-11-28 DOI:10.1016/j.chemphys.2024.112543
Simone Capaccioli , K.L. Ngai , Alessandro Paciaroni
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引用次数: 0

摘要

玻璃形成通常存在于许多不同种类的材料和系统中。考虑的传统动力和热力学性质通常与结构松弛和输运系数(如粘度)有关。几十年来,我们对不同种类的玻璃成型材料进行了研究,发现了结构弛豫与结构弛豫在动力学和热力学性质上密切相关且不可分割的过程。这些更快的过程包括笼化分子动力学和以耦合模型的原始弛豫为先导的一种特殊的二次弛豫。来自实验和模拟的压倒性证据支持这一普遍发现,可以在题为“复杂材料中的松弛和扩散的普遍性质:起源于具有丰富应用的基础物理学”的评论中找到,发表在Prog。板牙。自然科学学报,2023,139,101130。因此,如果不考虑这些重要的更快的过程,任何玻璃化转变理论都是不完整的,也不是根本的。在本文中,我们研究了干燥、水合和溶剂化蛋白质和生物分子的动力学和热力学性质,以发现更快过程的存在,并验证它们与结构松弛的紧密联系。因此,所考虑的生物分子系统中过程的动力学和热力学与普通玻璃形成材料中的过程是同构的。
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The isomorphic dynamic properties of biomolecular matters and glass-forming materials
Glass formation is commonly found in many different kinds of materials and systems. The conventional dynamic and thermodynamic properties considered are usually associated with the structural relaxation and the transport coefficient such as viscosity. Our studies of widely different classes of glass-forming materials over several decades have led to the discovery of processes faster than the structural relaxation are strongly connected to and inseparable from the structural relaxation in dynamic and thermodynamic properties. These faster processes include the caged molecular dynamics, and a special kind of secondary relaxation with the primitive relaxation of the Coupling Model as its precursor. Overwhelming evidences from experiments and simulations supporting this universal finding can be found in the review entitled “Universal Properties of Relaxation and Diffusion in Complex Materials: Originating from Fundamental Physics with Rich Applications“, published in Prog. Mater. Sci. 2023, 139, 101130. Consequently any theory of glass transition is neither complete nor fundamental if these important faster processes have not been considered. In this paper we examine the dynamics and thermodynamic properties of dry, hydrated, and solvated proteins and biomolecules to find the presence of the faster processes and verify their strong connections to the structural relaxation. Thus the dynamics and thermodynamics of the processes in the biomolecular systems considered are isomorphic to those in ordinary glass-forming material.
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来源期刊
Chemical Physics
Chemical Physics 化学-物理:原子、分子和化学物理
CiteScore
4.60
自引率
4.30%
发文量
278
审稿时长
39 days
期刊介绍: Chemical Physics publishes experimental and theoretical papers on all aspects of chemical physics. In this journal, experiments are related to theory, and in turn theoretical papers are related to present or future experiments. Subjects covered include: spectroscopy and molecular structure, interacting systems, relaxation phenomena, biological systems, materials, fundamental problems in molecular reactivity, molecular quantum theory and statistical mechanics. Computational chemistry studies of routine character are not appropriate for this journal.
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