Bruskov V I, Bushuev V N, Poltev V I
Mol Biol (Mosk). 1980 Mar-Apr;14(2):316-22.
Concentration and temperature dependence of nuclear magnetic resonance spectra of 1,3-dimethyluracil (m2 1,3Ura) in organic solvents has been investigated. The results indicate m2 1,3Ura dimer formation via C(6)--H...O hydrogen bond. In addition to that the formation of C--H...O H-bonds between solvent molecules and m2 1,3Ura take place. delta H of C---H...O H-bond formation between chloroform and m2 1,3Ura dimers have the value of about -2.5 and -2.0 kcal/mol, respectively. Interaction energy calculations by atom-atom potential functions for different types of m2 1,3Ura dimers are in good agreement with experimental data. The possible role of C--H...O H-bonds in intermolecular interactions and biological functions of nucleic acids are discussed.
研究了1,3 - 二甲基尿嘧啶（m2 1,3Ura）在有机溶剂中的核磁共振谱的浓度和温度依赖性。结果表明，m2 1,3Ura通过C(6)--H...O氢键形成二聚体。此外，溶剂分子与m2 1,3Ura之间还形成了C--H...O氢键。氯仿与m2 1,3Ura二聚体之间形成C---H...O氢键的焓变分别约为-2.5和-2.0千卡/摩尔。通过原子 - 原子势函数对不同类型的m2 1,3Ura二聚体进行的相互作用能计算与实验数据吻合良好。文中讨论了C--H...O氢键在核酸分子间相互作用和生物学功能中的可能作用。
