论文标题
SARS-COV-2病毒与电荷element纤维之间的静电相互作用
Electrostatic interaction between SARS-CoV-2 virus and charged electret fibre
论文作者
论文摘要
虽然几乎任何类型的面膜都可以防止不同尺寸的颗粒和病原体的保护，但最有效的面膜可以利用一个或多个带电动带电的分层结构。该element层对于难以捕获的小颗粒的有效过滤至关重要，但是静电捕获相对于颗粒和element纤维的电荷以及直接环境的效果的确切性质尚不清楚。在这里，我们详细探讨了单个带电元素的表面与SARS-COV-2病毒模型之间的静电相互作用。使用泊松 - 玻尔兹曼静电剂与详细的尖峰蛋白电荷调节模型相连，我们展示了pH和盐浓度如何极大地改变相互作用的尺度和符号。此外，最接近element纤维的几种尖峰蛋白的构型对于这种相互作用的强度与对病毒的总数一样重要，这是峰值蛋白电荷调节的直接结果。我们工作的结果阐明了病毒静电的细节，并有助于对有效病毒过滤机制的一般理解。
While almost any kind of face mask offers some protection against particles and pathogens of different sizes, the most efficient ones make use of a layered structure where one or more layers are electrically charged. This electret layer is essential to efficient filtration of difficult-to-capture small particles, yet the exact nature of electrostatic capture with respect to both the charge on the particles and the electret fibres as well as the effect of immediate environment remains unclear. Here, we explore in detail the electrostatic interaction between the surface of a single charged electret fibre and a model of SARS-CoV-2 virus. Using Poisson-Boltzmann electrostatics coupled to a detailed spike protein charge regulation model, we show how pH and salt concentration drastically change both the scale and the sign of the interaction. Furthermore, the configuration of the few spike proteins closest to the electret fibre turns out to be as important for the strength of the interaction as their total number on the virus, a direct consequence of spike protein charge regulation. The results of our work elucidate the details of virus electrostatics and contribute to the general understanding of efficient virus filtration mechanisms.
