2-氨基嘌呤的伏安行为

2-氨基嘌呤(2-aminopurine,简称2-AP)是嘌呤的氨基化衍生物,参入到核酸中并导致其发生变化。2-AP的极谱行为已有报道。本文用循环伏安法(CV)、线性扫描伏安法(LSV)、单扫描示波极谱法(SSOP)、常规脉冲极谱法(NPP)等电化学技术详细考察了2-AP在汞电极上的还原行为。实验表明在B．R缓冲溶液中(pH3)产生一良好的还原峰,峰电位     

Theoretical Investigations into the Intermolecular Hydrogen-bonding Interactions between Azacyclopentane-2-one and N-Methylol Ethanone

The structures of the complexes formed between N-methylol ethanone(model molecule of ceramide) and azacyclopentane-2-one(the model molecule of azone) have been fully optimized at the B3LYP/6-311++G** level.The intermolecular hydrogen bonding interaction energies have been calculated by using the B3LYP/6-311++G**,B3LYP/6-311++G(2df,2p),MP2(full)/6-311++G** and MP2(full)/6-311++G(2df,2p) methods,respectively.The results show that strong O–H···O=C,N–H···O=C and C–H···O=C hydrogen bonds could exist between azacyclopentane-2-one and N-methylol ethanone.The formation of the complexes might change the conformation of ceramide molecule and thus cause better percutaneous permeation for the drugs.This is perhaps the origin of the permeation enhances the activity of azone for medicament,as is in accordance with the experimental results.The hydrogen-bonding interactions follow the order of(a) (c) (b) (d) (g) ≈(e) ≈(i) (h) (f).The analyses of frequency,NBO,AIM and electron density shift are used to further reveal the nature of the complex formation.In the range of 263.0~328.0 K,the complex is formed via an exothermic reaction,and the solvent with lower temperature and dielectric constant is favorable to this process.