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开发 SARS-CoV-2 病毒表面的带电模型。

Development of a charged model of the SARS-CoV-2 viral surface.

机构信息

General Dynamics Information Technology, 4141 Petroleum Road, JBSA Fort Sam Houston, TX, 78234-2644, United States.

出版信息

Biochim Biophys Acta Biomembr. 2023 Apr;1865(4):184136. doi: 10.1016/j.bbamem.2023.184136. Epub 2023 Feb 4.

DOI:10.1016/j.bbamem.2023.184136
PMID:36746311
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9898061/
Abstract

A recent study provided experimental evidence of inactivation of viral activity after radio-frequency (RF) exposures in the 6-12 GHz band that was hypothesized to be caused by vibrations of an acoustic dipole mode in the virus that excited the viral membrane to failure. Here, we develop an atomic-scale molecular dynamics (MD) model of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) viral surface to estimate the electric fields necessary to rupture the viral membrane via dipole shaking of the virus. We computed the absorption spectrum of the system via unbiased MD simulations and found no particular strong absorption in the GHz band. We investigated the mechanical resiliency of the viral membrane by introducing uniaxial strains in the system and observed no pore formation in the membrane for strains up to 50%. Because the computed absorption spectrum was found to be essentially flat, and the strain required to break the viral membrane was >0.5, the field strength associated with rupture of the virus was greater than the dielectric breakdown value of air. Thus, RF disinfection of enveloped viruses would occur only once sufficient heat was transferred to the virus via a thermal mechanism and not by direct action (shaking) of the RF field oscillations on the viral membrane.

摘要

最近的一项研究提供了实验证据,证明在假设由病毒中声学偶极子模式的振动引起的 6-12GHz 频段的射频 (RF) 暴露后,病毒活性被灭活。在这里,我们开发了一种严重急性呼吸系统综合征冠状病毒 2 (SARS-CoV-2) 病毒表面的原子级分子动力学 (MD) 模型,以估计通过病毒的偶极子振动使病毒膜破裂所需的电场。我们通过无偏 MD 模拟计算了系统的吸收光谱,并未在 GHz 频段发现特别强的吸收。我们通过在系统中引入单轴应变来研究病毒膜的机械弹性,并且在应变高达 50%时,膜中没有形成孔。由于计算出的吸收光谱基本上是平坦的,并且破坏病毒所需的应变>0.5,因此与病毒破裂相关的场强大于空气的介电击穿值。因此,RF 对包膜病毒的消毒仅在通过热机制将足够的热量传递到病毒时才会发生,而不是通过 RF 场振动对病毒膜的直接作用(振动)发生。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/41c4/9898061/fb1d5641d936/gr5_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/41c4/9898061/a54a14984f77/ga1_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/41c4/9898061/8c196e17e8c3/gr1_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/41c4/9898061/050c5db2c114/gr2_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/41c4/9898061/1362ff10fea1/gr3_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/41c4/9898061/56240a6fb070/gr4_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/41c4/9898061/fb1d5641d936/gr5_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/41c4/9898061/a54a14984f77/ga1_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/41c4/9898061/8c196e17e8c3/gr1_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/41c4/9898061/050c5db2c114/gr2_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/41c4/9898061/1362ff10fea1/gr3_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/41c4/9898061/56240a6fb070/gr4_lrg.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/41c4/9898061/fb1d5641d936/gr5_lrg.jpg

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高分辨率结构与生物物理特性分析新型冠状病毒 2 核衣壳磷酸蛋白二聚化结构域。
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