Osmotically-induced rupture of viral capsids.

IF 2.3 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER
Felipe Aguiar, Thiago Colla
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引用次数: 0

Abstract

A simple model is proposed aimed to investigate how the amount of dissociated ions influences the mechanical stability of viral capsids. After an osmotic and mechanical equilibrium is established with the outer solution, a non-adiabatic change in salt concentration at the external environment is considered, which results in a significant solvent inflow across the capsid surface, eventually leading to its rupture. The key assumption behind such an osmotic shock mechanism is that solvent flow takes place at timescales much shorter than the ones typical of ionic diffusion. In order to theoretically describe this effect, we herein propose a thermodynamic model based on the traditional Flory theory. The proposed approach is further combined with a continuum Hookian elastic model of surface stretching and pore-opening along the lines of a classical nucleation theory, allowing us to establish the conditions under which capsid mechanical instability takes place. Despite its non-local character, the proposed model is able to capture most of the relevant physical mechanisms controlling capsid stability, namely the volume exclusion and entropy of mixing effects among the densely-packed components, the elastic cost for capsid stretching and further pore opening, the Donnan equilibrium across the interface, as well as the large entropy loss resulting from folding the viral genome into close-packed configurations inside the capsid. It is shown that, depending on the particular combination of initial condition and capsid surface strength, the capsid can either become unstable after removal of a prescribed amount of external salt, or be fully stable against osmotic shock, regardless of the amount of ionic dilution.

渗透诱导的病毒衣壳破裂。
提出了一个简单的模型,旨在研究解离离子的数量如何影响病毒衣壳的机械稳定性。在与外部溶液建立渗透和力学平衡后,考虑外部环境中盐浓度的非绝热变化,这会导致大量溶剂流入衣壳表面。这种渗透冲击机制背后的关键假设是,溶剂流动的时间尺度比典型离子扩散的时间尺度短得多。为了从理论上描述这种效应,我们在此提出了一个基于传统Flory理论的热力学模型。所提出的方法进一步与沿经典成核理论(CNT)线的表面拉伸和孔隙打开的连续体hookian弹性模型相结合,使我们能够建立衣壳机械不稳定性所处的条件。结果表明,无论离子稀释的多少,根据初始条件和衣壳表面强度的特定组合,衣壳在除去一定量的外盐后要么变得不稳定,要么对渗透冲击完全稳定。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Journal of Physics: Condensed Matter
Journal of Physics: Condensed Matter 物理-物理:凝聚态物理
CiteScore
5.30
自引率
7.40%
发文量
1288
审稿时长
2.1 months
期刊介绍: Journal of Physics: Condensed Matter covers the whole of condensed matter physics including soft condensed matter and nanostructures. Papers may report experimental, theoretical and simulation studies. Note that papers must contain fundamental condensed matter science: papers reporting methods of materials preparation or properties of materials without novel condensed matter content will not be accepted.
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