Wang Xianghong, Huang Tingting, Li Liyun, Xu Yanliang
School of Sino-German Engineering, Shanghai Technical Institute of Electronics and Information Shanghai 201411 China
Department of Physics, Wenzhou University Wenzhou 325035 China.
RSC Adv. 2024 May 28;14(24):17170-17177. doi: 10.1039/d4ra02354d. eCollection 2024 May 22.
Employing all-atom molecular dynamics simulations, we examined the temperature-dependent behavior of bending elasticity in double-stranded RNA (dsRNA). Specifically, we focused on the bending persistence length and its constituent components, namely, the tilt and roll stiffness. Our results revealed a near-linear decrease in these stiffness components as a function of temperature, thereby highlighting the increased flexibility of dsRNA at elevated temperatures. Furthermore, our data revealed a significant anisotropy in dsRNA bending elasticity, which diminished with increasing temperature, attributable to marked disparities in tilt and roll stiffness components. We delineated the underlying biophysical mechanisms and corroborated our findings with extant literature. These observations offer salient implications for advancing our understanding of nucleic acid elasticity, and are pertinent to potential medical applications.
通过全原子分子动力学模拟，我们研究了双链RNA（dsRNA）中弯曲弹性的温度依赖性行为。具体而言，我们关注弯曲持久长度及其组成部分，即倾斜和滚动刚度。我们的结果表明，这些刚度分量随温度呈近线性下降，从而突出了dsRNA在高温下增加的柔韧性。此外，我们的数据揭示了dsRNA弯曲弹性中存在显著的各向异性，这种各向异性随着温度的升高而减弱，这归因于倾斜和滚动刚度分量的显著差异。我们阐述了潜在的生物物理机制，并用现有文献证实了我们的发现。这些观察结果对于增进我们对核酸弹性的理解具有重要意义，并且与潜在的医学应用相关。
