70 indolinone inhibitors of PDK1 are calculated to guide obtaining the higher biological activity of quinolone compounds’ design and synthesis.Quantitative structure-activity relationship study has been approached on...70 indolinone inhibitors of PDK1 are calculated to guide obtaining the higher biological activity of quinolone compounds’ design and synthesis.Quantitative structure-activity relationship study has been approached on the basis of structure and quantum chemical parameters by using partial least squares,exhaustion linear regression analysis and chaotic genetic artificial neural network.According to the models,how these parameters affect the activity of the inhibitors of PDK1 is discussed in detail.The results show that the activity of indolinone inhibitors of PDK1 will increase when these compounds have larger nuclear energy,ploarizability,ovality and lower volume,molecular topological index.The QSAR results can provide a theoretical reference for the pharmaceutical synthesis.展开更多
The microcrystalline structure of complex CuLL′(L=mnt2-,1,2-dicyano-1,2-ethylenedithiolate or maleonitriledithiolate.L′=5-NO2-phen,5-nitri-1,10-phenanthro line) was characterized by TEM and EDP.The title complex was...The microcrystalline structure of complex CuLL′(L=mnt2-,1,2-dicyano-1,2-ethylenedithiolate or maleonitriledithiolate.L′=5-NO2-phen,5-nitri-1,10-phenanthro line) was characterized by TEM and EDP.The title complex was microcrystalline particle approximate oval sphere about 30nm.The electronic absorption spectra and emission spectra of complex CuLL′in DMSO,DMF and CH3COCH3 were determined.The complex CuLL′exhibit strong absorption spectra bands and emission spectra bands at 260～530nm in solution.The dark conductivity and photoconductivity of CdS doped with CuLL′ were studied.The correlation between photosensitization of complex CuLL′to CdS and its electronic spectra was ascertained.The obvious matched properties was found to exist between the interligand charge transfer energy of complex CuLL′and forbidden band width(or photoconductive red limit) of CdS.展开更多
文摘70 indolinone inhibitors of PDK1 are calculated to guide obtaining the higher biological activity of quinolone compounds’ design and synthesis.Quantitative structure-activity relationship study has been approached on the basis of structure and quantum chemical parameters by using partial least squares,exhaustion linear regression analysis and chaotic genetic artificial neural network.According to the models,how these parameters affect the activity of the inhibitors of PDK1 is discussed in detail.The results show that the activity of indolinone inhibitors of PDK1 will increase when these compounds have larger nuclear energy,ploarizability,ovality and lower volume,molecular topological index.The QSAR results can provide a theoretical reference for the pharmaceutical synthesis.
文摘The microcrystalline structure of complex CuLL′(L=mnt2-,1,2-dicyano-1,2-ethylenedithiolate or maleonitriledithiolate.L′=5-NO2-phen,5-nitri-1,10-phenanthro line) was characterized by TEM and EDP.The title complex was microcrystalline particle approximate oval sphere about 30nm.The electronic absorption spectra and emission spectra of complex CuLL′in DMSO,DMF and CH3COCH3 were determined.The complex CuLL′exhibit strong absorption spectra bands and emission spectra bands at 260～530nm in solution.The dark conductivity and photoconductivity of CdS doped with CuLL′ were studied.The correlation between photosensitization of complex CuLL′to CdS and its electronic spectra was ascertained.The obvious matched properties was found to exist between the interligand charge transfer energy of complex CuLL′and forbidden band width(or photoconductive red limit) of CdS.
