Aim and Method A novel three-dimensional quantitative structure-activityrelationship (3D-QSAR) method, self-organizing molecular field analysis (SOMFA) , was used toinvestigate the correlation between the molecular pr...Aim and Method A novel three-dimensional quantitative structure-activityrelationship (3D-QSAR) method, self-organizing molecular field analysis (SOMFA) , was used toinvestigate the correlation between the molecular properties and a class of chromanol analogs asI_(Ks) blockers. Results The cross-validated correlation coefficient q^2 values (0.698) and noncross-validated correlation coefficient r^2 values (0.701) proved a good conventional statisticalcorrelation. Conclusion The final SOMFA model has therefore good predictive activity for the furthermolecular design of chromanol I_(Ks) potassium channel blockers.展开更多
The electrochemical reduction of CO2 on a Pb electrode was investigated in 0. 1 mol/L KOH/methanol electrolyte at different temperatures and pressures. A graphite electrode was employed as the counter electrode, and a...The electrochemical reduction of CO2 on a Pb electrode was investigated in 0. 1 mol/L KOH/methanol electrolyte at different temperatures and pressures. A graphite electrode was employed as the counter electrode, and an AglAgCl （sat. KCl） electrode was used as the reference electrode. The Tafel plots of the products by the electrochemical reduction of CO2 showed that the formation process of HCOOH differed from that of CO and the reduction of CO2was not limited by the diffusion of CO2 in the investigated potential range. Kinetic analysis indicated that the reaction orders were 0. 573 for electrochemical reduction of CO2 to CO and 0. 671 for CO2 to HCOOH in the cathodic direction.展开更多
文摘Aim and Method A novel three-dimensional quantitative structure-activityrelationship (3D-QSAR) method, self-organizing molecular field analysis (SOMFA) , was used toinvestigate the correlation between the molecular properties and a class of chromanol analogs asI_(Ks) blockers. Results The cross-validated correlation coefficient q^2 values (0.698) and noncross-validated correlation coefficient r^2 values (0.701) proved a good conventional statisticalcorrelation. Conclusion The final SOMFA model has therefore good predictive activity for the furthermolecular design of chromanol I_(Ks) potassium channel blockers.
基金the National Natural Science Foundation of China (Grant No. 50408024)Zhejiang Provincial Natural Science Foundation of China(Grant No. M203034 and Y505036).
文摘The electrochemical reduction of CO2 on a Pb electrode was investigated in 0. 1 mol/L KOH/methanol electrolyte at different temperatures and pressures. A graphite electrode was employed as the counter electrode, and an AglAgCl （sat. KCl） electrode was used as the reference electrode. The Tafel plots of the products by the electrochemical reduction of CO2 showed that the formation process of HCOOH differed from that of CO and the reduction of CO2was not limited by the diffusion of CO2 in the investigated potential range. Kinetic analysis indicated that the reaction orders were 0. 573 for electrochemical reduction of CO2 to CO and 0. 671 for CO2 to HCOOH in the cathodic direction.
