The inhibitors of 5-LOX control the overproduction of pro-inflammatory mediators known as leukotrienes(LTs)and thus have therapeutic relevance in the treatment of various diseases like asthma,rheumatoid arthritis,infl...The inhibitors of 5-LOX control the overproduction of pro-inflammatory mediators known as leukotrienes(LTs)and thus have therapeutic relevance in the treatment of various diseases like asthma,rheumatoid arthritis,inflammatory bowel disease and certain types of cancers.This has increased the search for efficient therapeutic agents for protein 5-LOX and this process is now primarily based on QSAR.In this study,we have developed four different quantitative structure and 5-LOX inhibition activity relationship models of benzoquinone derivative by exploiting CoMFA,RF,SVM,and MLR chemometric methods.Performance of the QSAR models was measured by using cross-validation technique as well as through the external test set prediction.RF model outperforms all other models.SVM and MLR models failed due to the poor performance of the external test set prediction.CoMFA model,which shows relatively good performance was used to explore the essential structural regions where the modification was necessary to design a novel scaffold with improved activity.Moreover,molecular docking of all the derivatives to the binding site of 5-LOX was done to show their binding mode and to identify critical interacting residues inside the active site of 5-LOX.The docking result confirms the stability and rationality of the CoMFA model.展开更多
Stable silver nanoparticles were synthesized using polyvinyl alcohol （PVA） as reducing and capping agent. The method of steric stabilization was adopted for the incorporation of silver nanoparticles in the polymer m...Stable silver nanoparticles were synthesized using polyvinyl alcohol （PVA） as reducing and capping agent. The method of steric stabilization was adopted for the incorporation of silver nanoparticles in the polymer matrix. The successful incorporation of silver nanoparticles in a PVA matrix was confirmed by UV–Visible spectroscopy, transmission electron microscopy （TEM） and Fourier transform infrared （FT-IR） spectroscopy. The synthesized silver nanoparticles were characterized by a peak at 426 nm in the UV–Vis spectrum. TEM studies showed the formation of spherical shaped silver nanoparticles of 10-13 nm, following the reduction by UV irradiation. Catalytic properties were studied by means of UV-Visible spectroscopic analysis. The synthesized silver nanoparticles exhibited good catalytic properties in the reduction of methylene blue.展开更多
Nanoparticles of pure and Cu/Ag-doped CdS and ZnS have been synthesized via chemical bath deposition without using any capping or toxic reagents.The synthesis was carried out through a simple and less expensive green ...Nanoparticles of pure and Cu/Ag-doped CdS and ZnS have been synthesized via chemical bath deposition without using any capping or toxic reagents.The synthesis was carried out through a simple and less expensive green method.The XRD result shows that both pure CdS and ZnS and their doped derivatives are of high crystalline with hexagonal packing structure.The average crystalline size of all nanoparticles was calculated using Debye-Scherrer formula.The crystalline size of nanoparticles of pure samples varied with that of the doped sample.The average crystalline sizes of all nanoparticles are found to be in the range of 5.5-2.2 nm for CdS（from pure to doped） and 4.3-3.4 nm for ZnS,respectively.The band gap values obtained from UV-visible spectra are in the range of 3.5-2.1 e V for CdS and 3.3-2.7 e V for ZnS derivatives,respectively.The FTIR spectral data give characteristic peaks for Cd—S,Cu—S,Ag—S and Zn—S bonds and confirm the formation of respective nanoparticles.The peaks corresponding to the microstructural formation are also observed.The FE-SEM images show the granular morphological structure for all the samples.The agglomeration size of the samples in the range of 10-50 nm for CdS：Cu and 50-100 nm for ZnS：Cu is observed.展开更多
Ceria nano discs were synthesized by the stepwise thermal decomposition strategy of the oxalate precursor. A series of Ce（1-x）CuxO2（x = 0, 0.02, 0.1, 0.2 and 0.3） nano sized oxide systems were prepared through the...Ceria nano discs were synthesized by the stepwise thermal decomposition strategy of the oxalate precursor. A series of Ce（1-x）CuxO2（x = 0, 0.02, 0.1, 0.2 and 0.3） nano sized oxide systems were prepared through thermal decomposition route. Kinetic characterization of formation of solid solution was made by isoconversional strategy under non-isothermal condition. Introduction of various reactant molar ratios of Cu2＋：Ce4＋ has a pivotal role in the creation of new oxygen vacancies, decomposition strategy,particle size and shape. Cu2＋ doping（x = 0.02 and 0.1） damages the disc shaped morphology of ceria.Homogeneous distribution of Cu2＋ on the oxalate precursor has a significant role in the catalyzing activity for the destruction of oxalate bond to oxide. 2 mol% doped Cu2＋ promotes breaking of oxalate bonds in nitrogen atmosphere. In vitro cell viability assay illustrates enhanced toxicity to cancer cells with 10 mol% Cu2＋ doped ceria.展开更多
文摘The inhibitors of 5-LOX control the overproduction of pro-inflammatory mediators known as leukotrienes(LTs)and thus have therapeutic relevance in the treatment of various diseases like asthma,rheumatoid arthritis,inflammatory bowel disease and certain types of cancers.This has increased the search for efficient therapeutic agents for protein 5-LOX and this process is now primarily based on QSAR.In this study,we have developed four different quantitative structure and 5-LOX inhibition activity relationship models of benzoquinone derivative by exploiting CoMFA,RF,SVM,and MLR chemometric methods.Performance of the QSAR models was measured by using cross-validation technique as well as through the external test set prediction.RF model outperforms all other models.SVM and MLR models failed due to the poor performance of the external test set prediction.CoMFA model,which shows relatively good performance was used to explore the essential structural regions where the modification was necessary to design a novel scaffold with improved activity.Moreover,molecular docking of all the derivatives to the binding site of 5-LOX was done to show their binding mode and to identify critical interacting residues inside the active site of 5-LOX.The docking result confirms the stability and rationality of the CoMFA model.
文摘Stable silver nanoparticles were synthesized using polyvinyl alcohol （PVA） as reducing and capping agent. The method of steric stabilization was adopted for the incorporation of silver nanoparticles in the polymer matrix. The successful incorporation of silver nanoparticles in a PVA matrix was confirmed by UV–Visible spectroscopy, transmission electron microscopy （TEM） and Fourier transform infrared （FT-IR） spectroscopy. The synthesized silver nanoparticles were characterized by a peak at 426 nm in the UV–Vis spectrum. TEM studies showed the formation of spherical shaped silver nanoparticles of 10-13 nm, following the reduction by UV irradiation. Catalytic properties were studied by means of UV-Visible spectroscopic analysis. The synthesized silver nanoparticles exhibited good catalytic properties in the reduction of methylene blue.
文摘Nanoparticles of pure and Cu/Ag-doped CdS and ZnS have been synthesized via chemical bath deposition without using any capping or toxic reagents.The synthesis was carried out through a simple and less expensive green method.The XRD result shows that both pure CdS and ZnS and their doped derivatives are of high crystalline with hexagonal packing structure.The average crystalline size of all nanoparticles was calculated using Debye-Scherrer formula.The crystalline size of nanoparticles of pure samples varied with that of the doped sample.The average crystalline sizes of all nanoparticles are found to be in the range of 5.5-2.2 nm for CdS（from pure to doped） and 4.3-3.4 nm for ZnS,respectively.The band gap values obtained from UV-visible spectra are in the range of 3.5-2.1 e V for CdS and 3.3-2.7 e V for ZnS derivatives,respectively.The FTIR spectral data give characteristic peaks for Cd—S,Cu—S,Ag—S and Zn—S bonds and confirm the formation of respective nanoparticles.The peaks corresponding to the microstructural formation are also observed.The FE-SEM images show the granular morphological structure for all the samples.The agglomeration size of the samples in the range of 10-50 nm for CdS：Cu and 50-100 nm for ZnS：Cu is observed.
文摘Ceria nano discs were synthesized by the stepwise thermal decomposition strategy of the oxalate precursor. A series of Ce（1-x）CuxO2（x = 0, 0.02, 0.1, 0.2 and 0.3） nano sized oxide systems were prepared through thermal decomposition route. Kinetic characterization of formation of solid solution was made by isoconversional strategy under non-isothermal condition. Introduction of various reactant molar ratios of Cu2＋：Ce4＋ has a pivotal role in the creation of new oxygen vacancies, decomposition strategy,particle size and shape. Cu2＋ doping（x = 0.02 and 0.1） damages the disc shaped morphology of ceria.Homogeneous distribution of Cu2＋ on the oxalate precursor has a significant role in the catalyzing activity for the destruction of oxalate bond to oxide. 2 mol% doped Cu2＋ promotes breaking of oxalate bonds in nitrogen atmosphere. In vitro cell viability assay illustrates enhanced toxicity to cancer cells with 10 mol% Cu2＋ doped ceria.
