The nonlinear optical properties of a series of compounds of 1-benzoyl-3-substituted phenyl thiourea derivatives were theoreticaly studied.On the basis given above,their nonlinear optical properties were investigated....The nonlinear optical properties of a series of compounds of 1-benzoyl-3-substituted phenyl thiourea derivatives were theoreticaly studied.On the basis given above,their nonlinear optical properties were investigated.We speculate that these compounds have applied potentials as nonlinear optical materials.展开更多
In this paper,4,4’-dichlorophenyliodonium hexafluorophosphate was synthesized through 4 step reactions.The target product was novel cationic photoinitiator.The structure of the compound was identified by UV,IR,（）1H...In this paper,4,4’-dichlorophenyliodonium hexafluorophosphate was synthesized through 4 step reactions.The target product was novel cationic photoinitiator.The structure of the compound was identified by UV,IR,（）1H-NMR,and MS.The optimal operation conditions were determined through orthogonal layout expriment.4,4’-Dichlorophenyliodonium hexafluorophosphate 4.95g（10mmol）,diphenyl sulfide 10ml（6mmol）and catalyst 3×10-4mol were reacted at 120℃ for 3 h,and the yield was 87.9%.展开更多
Two different types of 1-[2-(hydroxyethoxy)methyl]-6-naphthylmethylthymines have been designed, synthesized and evaluated for their anti-HIV-1 activities in different cells lines. The binding free energy (DG) includin...Two different types of 1-[2-(hydroxyethoxy)methyl]-6-naphthylmethylthymines have been designed, synthesized and evaluated for their anti-HIV-1 activities in different cells lines. The binding free energy (DG) including steric and electrostatic between the two different ligands and reverse transcriptase Non-Nucleoside Binding Pocket (NNBP) have been docked and calculated to evaluate their accommodation circumstance on a SGI work station. The DG and anti-HIV-1 activity has been correlated in order to guide further drug design, which showed that the steric binding effect dominated in the whole binding action between the compounds and reverse transcriptase (RT). The results showed that more negative DG led to higher activity of compounds.展开更多
文摘The nonlinear optical properties of a series of compounds of 1-benzoyl-3-substituted phenyl thiourea derivatives were theoreticaly studied.On the basis given above,their nonlinear optical properties were investigated.We speculate that these compounds have applied potentials as nonlinear optical materials.
文摘In this paper,4,4’-dichlorophenyliodonium hexafluorophosphate was synthesized through 4 step reactions.The target product was novel cationic photoinitiator.The structure of the compound was identified by UV,IR,（）1H-NMR,and MS.The optimal operation conditions were determined through orthogonal layout expriment.4,4’-Dichlorophenyliodonium hexafluorophosphate 4.95g（10mmol）,diphenyl sulfide 10ml（6mmol）and catalyst 3×10-4mol were reacted at 120℃ for 3 h,and the yield was 87.9%.
文摘Two different types of 1-[2-(hydroxyethoxy)methyl]-6-naphthylmethylthymines have been designed, synthesized and evaluated for their anti-HIV-1 activities in different cells lines. The binding free energy (DG) including steric and electrostatic between the two different ligands and reverse transcriptase Non-Nucleoside Binding Pocket (NNBP) have been docked and calculated to evaluate their accommodation circumstance on a SGI work station. The DG and anti-HIV-1 activity has been correlated in order to guide further drug design, which showed that the steric binding effect dominated in the whole binding action between the compounds and reverse transcriptase (RT). The results showed that more negative DG led to higher activity of compounds.
