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DNA和RNA片段的振动光谱。

Vibration spectra of DNA and RNA segments.

作者信息

Jalilvand Samira, Mousavi Hamze

机构信息

Department of Physics, Razi University, Kermanshah, Iran.

出版信息

Eur Biophys J. 2024 Apr;53(3):95-109. doi: 10.1007/s00249-023-01699-0. Epub 2024 Jan 24.

Abstract

The dispersion curves and density of states are used to analyze the vibrational characteristics of DNA and RNA segments. This is done using a harmonic Hamiltonian and the Green's function technique. Two configurations of DNA and RNA, finite and cyclic, have been investigated and compared to their infinite counterparts. For the DNA molecule, three models, including a fishbone model, a ldder model, and a fishbone ladder model, have been employed, while the RNA molecule has been represented using a half fishbone model. To enhance the realism of DNA and RNA simulations, the unit cells within each infinite system as well as the length of the finite and cyclic cases are gradually enlarged. The connections between the sub-sites have been modeled using linear springs, where the stiffness of the vertical springs exhibits random variations throughout the length of the DNA and RNA models. Shorter DNA and RNA segments exhibit additional peaks in their density of states, resulting in more bands in dispersion curves. This indicates that as the number of building blocks grows in these segments, their curves resemble those of infinite systems. These findings have practical implications for studying the vibration characteristics of similar macro-systems.

摘要

利用色散曲线和态密度来分析DNA和RNA片段的振动特性。这是通过使用谐振哈密顿量和格林函数技术来完成的。研究了DNA和RNA的两种构型,即有限构型和环状构型,并将它们与其无限长的对应物进行了比较。对于DNA分子,采用了三种模型,包括鱼骨模型、梯子模型和鱼骨梯子模型,而RNA分子则用半鱼骨模型表示。为了提高DNA和RNA模拟的真实性,每个无限系统中的晶胞以及有限和环状情况的长度都逐渐增大。子位点之间的连接采用线性弹簧进行建模,其中垂直弹簧的刚度在DNA和RNA模型的整个长度上呈现随机变化。较短的DNA和RNA片段在其态密度中表现出额外的峰值,导致色散曲线中有更多的能带。这表明,随着这些片段中构建块数量的增加,它们的曲线类似于无限系统的曲线。这些发现对于研究类似宏观系统的振动特性具有实际意义。

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