Temperature-dependent signatures of coherent vibrational openings in DNA
Temperature-dependent signatures of coherent vibrational openings in DNA
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DOI：
10.1021/nl0499084
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发表时间：
2004-04-01
期刊：
影响因子：
10.8
通讯作者：
Bishop, AR
中科院分区：
文献类型：
--
作者：
Voulgarakis, NK;Kalosakas, G;Bishop, AR
我们报告了横向氢键伸缩振动对 DNA 序列动态结构因子的贡献的数值模拟。我们将简单的非线性动力学模型应用于噬菌体 T7 核心启动子 DNA 的有限片段。研究了动态结构因子的温度依赖性。由于非线性与序列特异性相结合，识别出一个独特的特征并将其归因于相干的局部热开口（热点）。我们提出了相应的动态结构因子特征的位置和宽度随温度的变化。最后，评估德拜-沃勒因子与通常谐波形式的强烈偏差。
We report numerical simulations of the contribution of the transverse hydrogen bond stretching vibrations in the dynamic structure factor of a DNA sequence. We apply a simple nonlinear dynamical model to a finite segment of the bacteriophage T7 core promoter DNA. The temperature dependence of the dynamic structure factor is investigated. A distinct feature is identified and attributed to coherent localized thermal openings (hot-spots) due to nonlinearity combined with sequence specificity. We present the variation of the position and the width of the corresponding dynamic structure factor feature with temperature. Finally, a strong deviation of the Debye-Waller factor from the usual harmonic form is evaluated.