Theoretical and experimental study of charge transfer through DNA: impact of mercury mediated T-Hg-T base pair.
Theoretical and experimental study of charge transfer through DNA: impact of mercury mediated T-Hg-T base pair.
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DOI：
10.1021/jp501986a
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发表时间：
2014-05
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影响因子：
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通讯作者：
I. Kratochvílová;Martin Golan;M. Vala;Miroslava Špérová;M. Weiter;Ondřej Páv;J. Šebera;I. Rosenberg;Vladimír Sychrovský;Yoshiyuki Tanaka;F. Bickelhaupt
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文献类型：
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作者：
I. Kratochvílová;Martin Golan;M. Vala;Miroslava Špérová;M. Weiter;Ondřej Páv;J. Šebera;I. Rosenberg;Vladimír Sychrovský;Yoshiyuki Tanaka;F. Bickelhaupt
DNA-Hg 复合物可能在检测 DNA 缺陷或检测环境中汞的存在方面发挥重要作用。表征 DNA-Hg 复合物的基本方法是研究电荷通过分子链转移的方式。本贡献的主要目标是研究连接 DNA T-T 错配碱基对 (T-Hg-T) 中两个胸腺嘧啶碱基的汞金属阳离子对通过 DNA 分子的电荷转移的影响。我们比较了标准 DNA、具有不匹配 T-T 碱基对的 DNA 以及具有 T-Hg(II)-T 碱基对的 DNA 的电荷转移效率。为此，我们测量了 DNA 分子稳态荧光和紫外可见光的温度依赖性。实验结果与采用理论 DFT 方法获得的结果进行对比。一般来说，电荷转移的效率是由汞改变碱基的空间重叠来驱动的。
DNA-Hg complexes may play an important role in sensing DNA defects or in detecting the presence of Hg in the environment. A fundamental way of characterizing DNA-Hg complexes is to study the way the electric charge is transferred through the molecular chain. The main goal of this contribution was to investigate the impact of a mercury metal cation that links two thymine bases in a DNA T-T mismatched base pair (T-Hg-T) on charge transfer through the DNA molecule. We compared the charge transfer efficiencies in standard DNA, DNA with mismatched T-T base pairs, and DNA with a T-Hg(II)-T base pair. For this purpose, we measured the temperature dependence of steady-state fluorescence and UV-vis of the DNA molecules. The experimental results were confronted with the results obtained employing theoretical DFT methods. Generally, the efficiency of charge transfer was driven by mercury changing the spatial overlap of bases.