Effect of base mismatch on the electronic properties of DNA–DNA and LNA–DNA double strands: Density-functional theoretical calculations
- 作者：Takayuki Natsume ; Yasuyuki Ishikawa ; Kenichi Dedachi ; Takayuki Tsukamoto ; Noriyuki Kurita
- 关键词：Cosmic-ray proton ; Cosmic-ray helium ; Atmospheric proton ; Solar modulation ; Superconducting spectrometer
- 刊名：Chemical Physics Letters
- 出版年：2007
- 期刊代码：7_00092614
- 类别：ph
- 出版时间：26 September 2007
- 卷：446
- 期：1-3
- 页码：151-158
- 文件大小：858 K
摘要
The electronic properties of double-stranded octametric DNA–DNA and LNA–DNA with a single-base mismatch were compared with those having fully complementary base pairs to quantify the effect of the base mismatch on hybridization energies (HE). A single T-G mismatch in the LNA–DNA gives rise to a significant reduction in HE, which is consistent with a significant lowering of the melting temperature for mismatched LNA–DNA. By contrast, the hybridization strength of the mismatched DNA–DNA depends strongly on local hydrogen-bonding arrangements in the mispaired T-G. The difference in HE is explained in terms of variation in charge distributions around the hydrogen-bonded base pairs.