The quantitative relationship between the structure of oxime-ether compounds containing sulfur(oxygen) and their insecticidal activity against leafhopper was studied by comparative molecular field analysis(CoMFA). The...The quantitative relationship between the structure of oxime-ether compounds containing sulfur(oxygen) and their insecticidal activity against leafhopper was studied by comparative molecular field analysis(CoMFA). The results showed that the contributions of steric and electrostatic fields to the activity were 47.5% and 52.5%, respectively. The coefficient q2 of cross validation and the relation coefficient r2 of non-cross validation for the model established by the study were 0.628 and 0.971, respectively, its F value was 133.840 and the standard deviation was 0.109. These values indicated that the model might have a good predictability. The contour maps of the model will give the basis on the structure modification.展开更多
Five selenium containing compounds are synthesized and their molecular structures are verified by IR, 1H NMR and MS. The action on escherichia coli are studied by microcalorimetry, the rate constant k and half inhibit...Five selenium containing compounds are synthesized and their molecular structures are verified by IR, 1H NMR and MS. The action on escherichia coli are studied by microcalorimetry, the rate constant k and half inhibitory concentration, IC 50 are calculated, the biological activity of the compounds is expressed quantitatively.展开更多
文摘The quantitative relationship between the structure of oxime-ether compounds containing sulfur(oxygen) and their insecticidal activity against leafhopper was studied by comparative molecular field analysis(CoMFA). The results showed that the contributions of steric and electrostatic fields to the activity were 47.5% and 52.5%, respectively. The coefficient q2 of cross validation and the relation coefficient r2 of non-cross validation for the model established by the study were 0.628 and 0.971, respectively, its F value was 133.840 and the standard deviation was 0.109. These values indicated that the model might have a good predictability. The contour maps of the model will give the basis on the structure modification.
文摘Five selenium containing compounds are synthesized and their molecular structures are verified by IR, 1H NMR and MS. The action on escherichia coli are studied by microcalorimetry, the rate constant k and half inhibitory concentration, IC 50 are calculated, the biological activity of the compounds is expressed quantitatively.
