In this paper,the systems of KCl/HZSM 5 and NaCl/HZSM 5 have been studied by XRD.The results show that the salts can disperse on the HZSM 5 surface forming a non crystalline layer.There is a critical dispersion capaci...In this paper,the systems of KCl/HZSM 5 and NaCl/HZSM 5 have been studied by XRD.The results show that the salts can disperse on the HZSM 5 surface forming a non crystalline layer.There is a critical dispersion capacity.When the salt content exceeds this threshold,the residual crystalline salt appears.Furthermore,the relationship between dispersion thresholds and calcination temperature has been investigated,the critical dispersion temperature of KCl and NaCl on the HZSM 5 surface has been found,and the dispersion threshold of salts from 450℃ to 700℃ has been measured.展开更多
substituted 6 aza 2’ deoxyuridines are inhibitors of herps simplex virius type 1 thymidine kinase (HSV 1 TK). In this paper, the semiempirical self consistent field PM3 calculations have been undertaken for two typic...substituted 6 aza 2’ deoxyuridines are inhibitors of herps simplex virius type 1 thymidine kinase (HSV 1 TK). In this paper, the semiempirical self consistent field PM3 calculations have been undertaken for two typical HSV 1 TK inhibitors: compound (I) and (II)(to see Fig.1). Their active sites have been discussed on the basis of studies of electronic structure and correlative analysis. The molecular docking between the two inhibitors and HSV 1 TK active center has also been carried out. It is found that the major binding forces between the two inhibitors and enzyme arise from hydrogen bonding interactions and lipophilic stacking interactions. The result may be used for rational molecular design of new and more potent HSV 1 TK inhibitors.展开更多
文摘In this paper,the systems of KCl/HZSM 5 and NaCl/HZSM 5 have been studied by XRD.The results show that the salts can disperse on the HZSM 5 surface forming a non crystalline layer.There is a critical dispersion capacity.When the salt content exceeds this threshold,the residual crystalline salt appears.Furthermore,the relationship between dispersion thresholds and calcination temperature has been investigated,the critical dispersion temperature of KCl and NaCl on the HZSM 5 surface has been found,and the dispersion threshold of salts from 450℃ to 700℃ has been measured.
文摘substituted 6 aza 2’ deoxyuridines are inhibitors of herps simplex virius type 1 thymidine kinase (HSV 1 TK). In this paper, the semiempirical self consistent field PM3 calculations have been undertaken for two typical HSV 1 TK inhibitors: compound (I) and (II)(to see Fig.1). Their active sites have been discussed on the basis of studies of electronic structure and correlative analysis. The molecular docking between the two inhibitors and HSV 1 TK active center has also been carried out. It is found that the major binding forces between the two inhibitors and enzyme arise from hydrogen bonding interactions and lipophilic stacking interactions. The result may be used for rational molecular design of new and more potent HSV 1 TK inhibitors.
