核碱基的堆积相互作用：核磁共振研究。I. N6,N9-二甲基腺嘌呤和N6-二甲基-N9-乙基腺嘌呤的自缔合
Stacking interactions of nucleobases: NMR-investigations. I. Self association of N6, N9-dimethyladenine and N6-dimethyl-N9-ethyladenine.
作者信息
Schimmack W, Sapper H, Lohmann W
出版信息
Biophys Struct Mech. 1975 Feb 19;1(2):113-20. doi: 10.1007/BF00539773.
The selfassociation of N6,N9-dimethyladenine and N6-dimethyl-N9-ethyladenine has been studied by means of NMR technique. The thermodynamic quantities have been calculated using an isodesmic NMR model with three NMR parameters (the monomer shift deltaM and two complex shifts delta2 and delta3). The dependence of the thermodynamic quantities on the NMR parameters is discussed. Special attention is given to the determination of deltaM and its temperature dependence. Calculations with delta3 = 2 - delta2 and deltaM taken independently of temperature result in an average entropy deltaS = - 17.9 +/- 1.8 e.u. for N6,N9-dimethyladenine and deltaS = - 16.7 +/- 1.7 e.u. for N6-dimethyl-N9-ethyladenine and in an average enthalpy deltaH = - 7.2 +/- 0.6 kcal - mol-1 for both substances investigated.
通过核磁共振技术研究了N6,N9 - 二甲基腺嘌呤和N6 - 二甲基 - N9 - 乙基腺嘌呤的自缔合作用。利用具有三个核磁共振参数（单体位移δM和两个络合物位移δ2和δ3）的等键核磁共振模型计算了热力学量。讨论了热力学量对核磁共振参数的依赖性。特别关注δM的测定及其温度依赖性。在δ3 = 2 - δ2且δM与温度无关的情况下进行计算，结果表明，对于N6,N9 - 二甲基腺嘌呤，平均熵δS = - 17.9 ± 1.8 e.u.；对于N6 - 二甲基 - N9 - 乙基腺嘌呤，平均熵δS = - 16.7 ± 1.7 e.u.；对于所研究的两种物质，平均焓δH = - 7.2 ± 0.6 kcal·mol-1。
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