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
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
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
Stretched polyethylene(PE)fibers are found to have super high thermal conductivity,while the bulk of polyethylene is usually thermal insulating even for those with high crystalline degree.A molecular dynamic simulatio...Stretched polyethylene(PE)fibers are found to have super high thermal conductivity,while the bulk of polyethylene is usually thermal insulating even for those with high crystalline degree.A molecular dynamic simulation is deliberately carried out to examine the relationship between chain configuration and thermal conductivity of polyethylene.In this simulation study,independent and interacting PE chains being stretched are compared with the aim to find out the effect of stretching on thermal conductivity of PE.Various crystallization conditions for PE bulk are considered.It is found that heat transports predominately along the covalent chain rather than across chains in PE crystals.Our simulation study helps to understand experimental findings on thermal conductivity of PE at different states.W e also predict that amorphous PE may be super thermally conductive if chains are strictly stretched along heat flux.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.
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.
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.
基金supported by the National Key R&D Program of China(No.2017YFB0406204)the National Natural Science Foundation of China(No.51973002)University Institution of High Performance Rubber Materials of Anhui Province.
文摘Stretched polyethylene(PE)fibers are found to have super high thermal conductivity,while the bulk of polyethylene is usually thermal insulating even for those with high crystalline degree.A molecular dynamic simulation is deliberately carried out to examine the relationship between chain configuration and thermal conductivity of polyethylene.In this simulation study,independent and interacting PE chains being stretched are compared with the aim to find out the effect of stretching on thermal conductivity of PE.Various crystallization conditions for PE bulk are considered.It is found that heat transports predominately along the covalent chain rather than across chains in PE crystals.Our simulation study helps to understand experimental findings on thermal conductivity of PE at different states.W e also predict that amorphous PE may be super thermally conductive if chains are strictly stretched along heat flux.
