Veselkov A N, Pakhomov V I, Rogova O V, Volynkina V S, Dymant L N, Eaton R J, Davies D B
Biofizika. 2004 Sep-Oct;49(5):781-8.
The self-association of self-complementary deoxyhexanucleotide d(GCATGC) was investigated in aqueous salt solution. Homonuclear 1H NMR correlation spectroscopy (2D-TOCSY and 2D-NOESY) was used for complete assignments of nonexchangeable protons of the hexamer. The equilibrium reaction constants and thermodynamical parameters of duplex d(GCATGC)2 formation were determined from experimental concentration and temperature dependences of proton chemical shifts of the deoxyhexanucleotide. Distinctive features of the concentration dependences in the range of small concentrations at relatively low temperatures of solution enable one to assume that one single-stranded hexamer sequence forms a compact structure (similar to a hairpin) in aqueous solution. A possible spatial hairpin structure of the hexamer was proposed. Comparative analysis of the experimental and theoretical (using the "nearest neighbor" model) thermodynamical parameters of duplex formation was made.
在盐水溶液中研究了自互补脱氧六核苷酸d(GCATGC)的自缔合。采用同核1H NMR相关光谱法（二维全相关谱和二维核Overhauser效应谱）对六聚体中不可交换质子进行完全归属。根据脱氧六核苷酸质子化学位移的实验浓度和温度依赖性，确定了双链体d(GCATGC)2形成的平衡反应常数和热力学参数。在相对低温的溶液中，低浓度范围内浓度依赖性的显著特征使人们能够假定，一个单链六聚体序列在水溶液中形成一种紧凑结构（类似于发夹）。提出了六聚体可能的空间发夹结构。对双链体形成的实验和理论（使用“邻近碱基对”模型）热力学参数进行了比较分析。
