AI 中文总结
本研究通过分子动力学模拟发现，溶剂化DNA在不同构象下的能量时间序列均呈现普适的1/f噪声（指数约0.90），且DNA拓扑与结构刚性通过调节环境耦合影响噪声特征，揭示了拓扑-环境相互作用对DNA随机行为的调控机制。
AI 中文摘要
我们研究了三种构象（G-四链体、发夹和双链体）中溶剂化DNA的能量涨落。我们全面的分子动力学（MD）模拟表明，DNA自身、DNA-水和DNA-离子的相互作用能时间序列表现出1/f噪声，其普适衰减指数$\beta \simeq 0.90$。我们证明，DNA拓扑结构和结构刚性调节其与周围水化壳层和移动抗衡离子的动态耦合。这种耦合关键地塑造了1/f噪声特征：柔性结构（G-四链体、发夹）中的DNA自身能量显示出在刚性双链体中不存在的显著低频模式。这些发现揭示了DNA拓扑与环境耦合之间的相互作用如何控制生物学相关DNA形式的不同随机行为。
英文摘要
We investigate energy fluctuations of solvated DNA in three conformations: G-quadruplex, Hairpin, and Duplex. Our comprehensive molecular dynamics (MD) simulations demonstrate that the time-series of interaction energies for DNA self, DNA-water and DNA-ion show 1/f noise with a universal decay exponent $β\simeq 0.90$. We show that DNA topology and structural rigidity modulate its dynamic coupling with the surrounding hydration shell and mobile counter-ions. This coupling critically shapes the 1/f noise profile: DNA self energies in flexible structures (G-quadruplex, Hairpin) display pronounced low-frequency modes absent in the rigid Duplex. These findings reveal how the interplay between DNA topology and environmental coupling governs different stochastic behavior in biologically relevant forms of DNA.
