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本文发现并间接证实了DNA的~(13)C化学位移与其结构参数(主轴螺旋扭曲角Ω,碱基平面滚动角ρ,主链扭曲角δ和螺旋浆式扭曲角ω)之间存在着相关性,文中阐明了与这些结构参数相关的碳及其理论上的解释。这些碳的化学位移相对变化明显地反映出DNA链间嘌呤-嘌呤碰撞(立体障碍)所引起的DNA双螺旋局部结构的变化,并与Calladine-Dickerson加和函数Σ作了比较。从DNA的~(13)C NMR谱可以得到有关其构象的信息,从而有可能通过~(13)C谱观测DNA在溶液中的Ω,ρ,δ和ω等结构参数。
This paper has found and indirectly confirmed that there is a correlation between ~ (13) C chemical shifts of DNA and its structural parameters (torsional twist angle Ω, rolling angle ρ, stripping angle δ and propeller twist angle ω) The paper explains the carbon associated with these structural parameters and their theoretical explanations. The relative changes in chemical shifts of these carbons clearly reflect the changes in the local structure of the DNA double helix caused by the purine-purine collision (steric hindrance) between the DNA strands and are compared with the Calladine-Dickerson sum function Σ. The information about its conformation can be obtained from the ~ (13) C NMR spectrum of DNA, so it is possible to observe the structural parameters such as Ω, ρ, δ and ω of DNA in solution by ~ (13) C spectrum.