substituted 6 aza 2’ deoxyuridines are inhibitors of herps simplex virius type 1 thymidine kinase (HSV 1 TK). In this paper, the semiempirical self consistent field PM3 calculations have been undertaken for two typic...substituted 6 aza 2’ deoxyuridines are inhibitors of herps simplex virius type 1 thymidine kinase (HSV 1 TK). In this paper, the semiempirical self consistent field PM3 calculations have been undertaken for two typical HSV 1 TK inhibitors: compound (I) and (II)(to see Fig.1). Their active sites have been discussed on the basis of studies of electronic structure and correlative analysis. The molecular docking between the two inhibitors and HSV 1 TK active center has also been carried out. It is found that the major binding forces between the two inhibitors and enzyme arise from hydrogen bonding interactions and lipophilic stacking interactions. The result may be used for rational molecular design of new and more potent HSV 1 TK inhibitors.展开更多
By taking advantage of silylanization, Al2O3 support was modified by organosilane and supported Pd-Cu-Clx/Al2O3 catalysts were prepared. The effects of hydrophobicity on catalyst stability during CO oxidation were inv...By taking advantage of silylanization, Al2O3 support was modified by organosilane and supported Pd-Cu-Clx/Al2O3 catalysts were prepared. The effects of hydrophobicity on catalyst stability during CO oxidation were investigated. The physicochemical properties and redox potential of the catalyst were characterized by N2 adsorption-desorption, XRD, H2-TPR, and XPS. In order to understand the relationship between the oxidation stability of CO and the presence of water, the CO oxidation mechanism was studied by in situ DRIFT. Support pretreatment markedly promoted catalyst stability during CO oxidation; CO conversion was 78% after 150 h at saturated humidity and freezing point. Modification led to an obvious decrease in chloride ion concentration and enhancement in hydrophobicity. The role of water in CO oxidation was complicated. The presence of water favored CO oxidation over active Pd~＋ species and Pd0 reoxidation by Cu^（2＋） species. Meanwhile, water also inhibited the formation of the active Pd~＋ species and helped to produce carbonate species. Compared with the form of the carbonate species, the inhibition of water to produce active Pd~＋ species played the main detrimental role in catalyst stability.展开更多
Several catalysts comprising Pt supported on octahedral Fe3O4（Pt/Fe3O4） were prepared by a facile method involving co-precipitation followed by thermal treatment at different temperatures. A variety of characterizat...Several catalysts comprising Pt supported on octahedral Fe3O4（Pt/Fe3O4） were prepared by a facile method involving co-precipitation followed by thermal treatment at different temperatures. A variety of characterization results revealed that this preparation process afforded highly crystalline octahedral Fe3O4 with a uniform distribution of Pt nanoparticles on its surface. The thermal-treatment temperature significantly influenced the redox properties of the Pt/Fe3O4 catalysts. All the Pt/Fe3O4 catalysts were found to be catalytically active and stable for the oxidation of low-concentration formaldehyde（HCHO） with oxygen. The catalyst prepared by thermal treatment at 80 °C（labelled Pt/Fe3O4-80） exhibited the highest catalytic activity, efficiently converting HCHO to CO2 and H2 O under ambient temperature and moisture conditions. The excellent performance of Pt/Fe3O4-80 was mainly attributed to beneficial interactions between the Pt and Fe species that result in the formation a higher density of active interface sites（e.g., Pt-O-FeO x and Pt-OH-FeO x）. The introduction of water vapor improves the catalytic activity of the Pt/Fe3O4 catalysts as it participates in a water-assisted dissociation process.展开更多
ω -Bromopropylporphyrin ether synthesized from the raction of 1,3-dibromopropane as the bridge-linked reagent and 5-(4-hydroxyphenyl)-10,15,20-triphenylporphyrin (H_2MHTPP) as the matrix reacts with 5,15-di(4- hydrox...ω -Bromopropylporphyrin ether synthesized from the raction of 1,3-dibromopropane as the bridge-linked reagent and 5-(4-hydroxyphenyl)-10,15,20-triphenylporphyrin (H_2MHTPP) as the matrix reacts with 5,15-di(4- hydroxyphenyl)-10,20-diphenyl porphyrin( trans -H_2DHDPP) to give the title nanometer porphyrin trimer. The characterization was carried out by means of elemental analyses,UV-Vis,IR, 1H NMR and XRD.展开更多
Four additives,[4-hydroxy-3-nitrophenylarsonic acid(Roxarsone),4-nitrophenylarsonic acid(4-NPAA),phenylarsonic acid (PAA) and p-aminophenylarsonic acid (p-ASA)] in chicken feed were simultaneously determinated by capi...Four additives,[4-hydroxy-3-nitrophenylarsonic acid(Roxarsone),4-nitrophenylarsonic acid(4-NPAA),phenylarsonic acid (PAA) and p-aminophenylarsonic acid (p-ASA)] in chicken feed were simultaneously determinated by capillary zone electrophoresis(CZE) with on -line UV-detection.Based on our previous research,the sample extraction,cleanup and detection condition were discussed and optimised,Analytes were extracted with acidic 20% acetonitrile and the cleaned up with C18 SPE before the detection.20mM Carbonate buffer at pH10 was used as electrolyte,A fused silica capillary(48.5cm x75um),18kV working voltage and 200nm detection wavelength were applied for CE detection.Acetonitrile functioned as a modifier to reduce the conductivity of the sample soulution during the CE separation.The sensityvity of the method is sufficient for the routine inspection of Roxarsone in animal feed,The recoveries for all analytes were reasonably good but the precision of the method was poorer than HPLC.展开更多
Today, Darcy's Law is commonplace in many aspects of hydrogeology, soil science, petroleum engineering, civil engineering, chemical engineering and other fields involving flow in porous media. It is indeed one of ...Today, Darcy's Law is commonplace in many aspects of hydrogeology, soil science, petroleum engineering, civil engineering, chemical engineering and other fields involving flow in porous media. It is indeed one of the most fundamental equations for predicting the flow of fluids in a porous medium. In my field of interest, hydrogeology, it describes the rates of groundwater flow in aquifers. Darcy is thus known to many scientists and engineers as a founding father in their disciplines. As a student of hydrogeology and now a teacher and researcher in the field, I have always been curious about Henry Darcy.展开更多
The application of phenylfluorone (PF)-Mo(VI) complex as a spectroscopic probe is studied. In the presence of OP microemulsion at pH 3.04, PF-Mo(Ⅵ) complex combines protein rapidly to form a stable compound and the a...The application of phenylfluorone (PF)-Mo(VI) complex as a spectroscopic probe is studied. In the presence of OP microemulsion at pH 3.04, PF-Mo(Ⅵ) complex combines protein rapidly to form a stable compound and the absorbance at 527 nm is in proportion to the concentration of protein in the range 0-16 μg mL-1 for bovine serum albumin (BSA). OP microemuslion media is introduced into protein determination, it has increased markedly the sensitivity of the system. The molar absorption coefficient was 5.98×l06 L mol-1 cm-1 for BSA. The assay, with sensitivity, simplicity and tolerance to many foreign substances, is applied to the determination of protein in samples with satisfactory results. Moreover, the binding number of BSA with the complex, which is determined by molar ratio and slope ratio methods, is in good agreement.展开更多
A new and general synthesis of a porphyrinK(Ⅰ) with two alkoxyl linkages is described. The synthesis involves the reaction of dibromopropane with phenolic porphyrin to form ω-bromopropylporphyrin ether. This ether t...A new and general synthesis of a porphyrinK(Ⅰ) with two alkoxyl linkages is described. The synthesis involves the reaction of dibromopropane with phenolic porphyrin to form ω-bromopropylporphyrin ether. This ether then reacts with another phenolic porphyrin to give the target compounds. The properties of the target compounds were confirmed by means of elemental analysis, UV-Vis, IR, and ~ 1H NMR spectroscopies. Their spectral properties and thermal stability were also studied.展开更多
O-Acetonyl-b-cyclodextrin with a suitable average substitution degree of about 5.8, which could be used as a key intermediate for water soluble functional b-cyclodextrin derivatives, was prepared based on the proper o...O-Acetonyl-b-cyclodextrin with a suitable average substitution degree of about 5.8, which could be used as a key intermediate for water soluble functional b-cyclodextrin derivatives, was prepared based on the proper oxidation of heptakis (6-O-dimethyl-tert-butylsilyl)-2-O -hydroxypropyl-b-cyclodextrin.展开更多
Grubbs’ catalyst was used to prepare a series of carbosilane dendrimers with silacyclopentene peripheral groups. It was found that ring closing metathesis reaction was influenced strongly by the reaction temperatur...Grubbs’ catalyst was used to prepare a series of carbosilane dendrimers with silacyclopentene peripheral groups. It was found that ring closing metathesis reaction was influenced strongly by the reaction temperature and the amount of catalyst.展开更多
文摘substituted 6 aza 2’ deoxyuridines are inhibitors of herps simplex virius type 1 thymidine kinase (HSV 1 TK). In this paper, the semiempirical self consistent field PM3 calculations have been undertaken for two typical HSV 1 TK inhibitors: compound (I) and (II)(to see Fig.1). Their active sites have been discussed on the basis of studies of electronic structure and correlative analysis. The molecular docking between the two inhibitors and HSV 1 TK active center has also been carried out. It is found that the major binding forces between the two inhibitors and enzyme arise from hydrogen bonding interactions and lipophilic stacking interactions. The result may be used for rational molecular design of new and more potent HSV 1 TK inhibitors.
基金supported by the National Key Research and Development Program of China(2016YFC0204300)National Natural Science Foundation of China(21207037,21333003,21571061)+1 种基金the "Shu Guang" Project of the Shanghai Municipal Education Commission(12SG29)the Commission of Science and Technology of Shanghai Municipality(15DZ1205305)~~
文摘By taking advantage of silylanization, Al2O3 support was modified by organosilane and supported Pd-Cu-Clx/Al2O3 catalysts were prepared. The effects of hydrophobicity on catalyst stability during CO oxidation were investigated. The physicochemical properties and redox potential of the catalyst were characterized by N2 adsorption-desorption, XRD, H2-TPR, and XPS. In order to understand the relationship between the oxidation stability of CO and the presence of water, the CO oxidation mechanism was studied by in situ DRIFT. Support pretreatment markedly promoted catalyst stability during CO oxidation; CO conversion was 78% after 150 h at saturated humidity and freezing point. Modification led to an obvious decrease in chloride ion concentration and enhancement in hydrophobicity. The role of water in CO oxidation was complicated. The presence of water favored CO oxidation over active Pd~＋ species and Pd0 reoxidation by Cu^（2＋） species. Meanwhile, water also inhibited the formation of the active Pd~＋ species and helped to produce carbonate species. Compared with the form of the carbonate species, the inhibition of water to produce active Pd~＋ species played the main detrimental role in catalyst stability.
文摘Several catalysts comprising Pt supported on octahedral Fe3O4（Pt/Fe3O4） were prepared by a facile method involving co-precipitation followed by thermal treatment at different temperatures. A variety of characterization results revealed that this preparation process afforded highly crystalline octahedral Fe3O4 with a uniform distribution of Pt nanoparticles on its surface. The thermal-treatment temperature significantly influenced the redox properties of the Pt/Fe3O4 catalysts. All the Pt/Fe3O4 catalysts were found to be catalytically active and stable for the oxidation of low-concentration formaldehyde（HCHO） with oxygen. The catalyst prepared by thermal treatment at 80 °C（labelled Pt/Fe3O4-80） exhibited the highest catalytic activity, efficiently converting HCHO to CO2 and H2 O under ambient temperature and moisture conditions. The excellent performance of Pt/Fe3O4-80 was mainly attributed to beneficial interactions between the Pt and Fe species that result in the formation a higher density of active interface sites（e.g., Pt-O-FeO x and Pt-OH-FeO x）. The introduction of water vapor improves the catalytic activity of the Pt/Fe3O4 catalysts as it participates in a water-assisted dissociation process.
文摘ω -Bromopropylporphyrin ether synthesized from the raction of 1,3-dibromopropane as the bridge-linked reagent and 5-(4-hydroxyphenyl)-10,15,20-triphenylporphyrin (H_2MHTPP) as the matrix reacts with 5,15-di(4- hydroxyphenyl)-10,20-diphenyl porphyrin( trans -H_2DHDPP) to give the title nanometer porphyrin trimer. The characterization was carried out by means of elemental analyses,UV-Vis,IR, 1H NMR and XRD.
文摘Four additives,[4-hydroxy-3-nitrophenylarsonic acid(Roxarsone),4-nitrophenylarsonic acid(4-NPAA),phenylarsonic acid (PAA) and p-aminophenylarsonic acid (p-ASA)] in chicken feed were simultaneously determinated by capillary zone electrophoresis(CZE) with on -line UV-detection.Based on our previous research,the sample extraction,cleanup and detection condition were discussed and optimised,Analytes were extracted with acidic 20% acetonitrile and the cleaned up with C18 SPE before the detection.20mM Carbonate buffer at pH10 was used as electrolyte,A fused silica capillary(48.5cm x75um),18kV working voltage and 200nm detection wavelength were applied for CE detection.Acetonitrile functioned as a modifier to reduce the conductivity of the sample soulution during the CE separation.The sensityvity of the method is sufficient for the routine inspection of Roxarsone in animal feed,The recoveries for all analytes were reasonably good but the precision of the method was poorer than HPLC.
文摘Today, Darcy's Law is commonplace in many aspects of hydrogeology, soil science, petroleum engineering, civil engineering, chemical engineering and other fields involving flow in porous media. It is indeed one of the most fundamental equations for predicting the flow of fluids in a porous medium. In my field of interest, hydrogeology, it describes the rates of groundwater flow in aquifers. Darcy is thus known to many scientists and engineers as a founding father in their disciplines. As a student of hydrogeology and now a teacher and researcher in the field, I have always been curious about Henry Darcy.
基金Financial supports from the Natural Science Foundation of Shandong Province(Y2000B09)Shandong Provincial Science and Technology Program(03C05)are gratefully acknowledged
文摘The application of phenylfluorone (PF)-Mo(VI) complex as a spectroscopic probe is studied. In the presence of OP microemulsion at pH 3.04, PF-Mo(Ⅵ) complex combines protein rapidly to form a stable compound and the absorbance at 527 nm is in proportion to the concentration of protein in the range 0-16 μg mL-1 for bovine serum albumin (BSA). OP microemuslion media is introduced into protein determination, it has increased markedly the sensitivity of the system. The molar absorption coefficient was 5.98×l06 L mol-1 cm-1 for BSA. The assay, with sensitivity, simplicity and tolerance to many foreign substances, is applied to the determination of protein in samples with satisfactory results. Moreover, the binding number of BSA with the complex, which is determined by molar ratio and slope ratio methods, is in good agreement.
文摘A new and general synthesis of a porphyrinK(Ⅰ) with two alkoxyl linkages is described. The synthesis involves the reaction of dibromopropane with phenolic porphyrin to form ω-bromopropylporphyrin ether. This ether then reacts with another phenolic porphyrin to give the target compounds. The properties of the target compounds were confirmed by means of elemental analysis, UV-Vis, IR, and ~ 1H NMR spectroscopies. Their spectral properties and thermal stability were also studied.
基金This work was supported by the National Natural Science Foundation of China(29902004)
文摘O-Acetonyl-b-cyclodextrin with a suitable average substitution degree of about 5.8, which could be used as a key intermediate for water soluble functional b-cyclodextrin derivatives, was prepared based on the proper oxidation of heptakis (6-O-dimethyl-tert-butylsilyl)-2-O -hydroxypropyl-b-cyclodextrin.
文摘Grubbs’ catalyst was used to prepare a series of carbosilane dendrimers with silacyclopentene peripheral groups. It was found that ring closing metathesis reaction was influenced strongly by the reaction temperature and the amount of catalyst.
