稀有三环核苷衍生物与羟基自由基快速反应动力学及理论计算

Fast reaction kinetics of OH with the derivative of rare tricyclic nucleoside and theoretical calculation

运用脉冲辐解瞬态吸收光谱技术研究了稀有三环核苷衍生物N-4-去甲基-wyosine(dYt)与OH自由基快速反应的动力学。结合AMI及B31,YP/6—31G++方法对OH进攻dYt各位置形成的可能加成产物进行结构优化及热力学能量计算,阐述了反应的自由基机理,预测了可能的自由基加成产物。

Fast reaction kinetics of 'OH with N-4-desmethylwyosine (dYt), a derivative of rare tricyclic nucleoside has been studied by pulse radiolysis. The possible initial transient radicals of OH adducts of dYt were studied by AMI (with geometry optimization) and B3LYP/6-31G++ (calculation of total energy). The radical reaction mechanism and the possible structure of OH-adducts were discussed and predicted.