Nuclear quantum effects on electron transfer reactions in DNA hairpins.
Nuclear quantum effects on electron transfer reactions in DNA hairpins.
复制标题
DNA 发夹中电子转移反应的核量子效应。
DOI：
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发表时间：
2003
期刊：
影响因子：
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通讯作者：
Y. Sengoku
中科院分区：
文献类型：
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作者：
S. Tanaka;Y. Sengoku
用分子动力学模拟方法分析了水溶液中合成DNA发夹的光致电子转移速率常数与驱动力的关系。因此，从完全原子的角度研究了量子能隙定律，很好地重现了实验结果，减少了参数拟合的模糊性。尽管DNA和水溶剂的高频振动模式对重组能的贡献很小，但它们的量子效应对电子转移速率常数的影响是显著的，这很好地解释了实验中观察到的马库斯抛物线的偏差。
The driving force dependence of photoinduced electron transfer rate constant in synthetic DNA hairpins in aqueous solutions has been analyzed by means of molecular dynamics simulations. The quantum energy gap law has thus been investigated from a fully atomistic point of view, well reproducing the experimental results with reduced ambiguities in the parameter fitting. Although the contribution from the high-frequency vibrational modes of DNA and water solvent to the reorganization energy is fairly small, their quantum effect on the electron transfer rate constant is significant, well accounting for the deviation from the Marcus parabola observed in the experiments.
DNA/RNA 双链体中的长程氧化损伤。
影响因子：
2.9
作者：
Odom,DT;Barton,JK
通讯作者：
Barton,JK