In order to search for high energy density materials,various 4,8-dihydrodifurazano[3,4-b,e]pyrazine based energetic materials were designed.Density functional theory was employed to investigate the relationships betwe...In order to search for high energy density materials,various 4,8-dihydrodifurazano[3,4-b,e]pyrazine based energetic materials were designed.Density functional theory was employed to investigate the relationships between the structures and properties.The calculated results indicated that the properties of these designed compounds were influenced by the energetic groups and heterocyclic substituents.The-N3 energetic group was found to be the most effective substituent to improve the heats of formation of the designed compounds while the tetrazole ring/-C(NO_(2))_(3) group contributed much to the values of detonation properties.The analysis of bond orders and bond dissociation energies showed that the addition of-NHNH2,-NHNO_(2),-CH(NO_(2))_(3) and-C(NO_(2))_(3) groups would decrease the bond dissociation energies remarkably.Compounds A8,B8,C8,D8,E8,and F8 were finally screened as the potential candidates for high energy density materials since these compounds possess excellent detonation properties and acceptable thermal stabilities.Additionally,the electronic structures of the screened compounds were calculated.展开更多
Previous studies have shown that glycine and proline are pharmacophores that display antibacterial activity.In the present study,glycine and proline were derivated to diketopiperazine compounds by chemical synthesis m...Previous studies have shown that glycine and proline are pharmacophores that display antibacterial activity.In the present study,glycine and proline were derivated to diketopiperazine compounds by chemical synthesis method,and their antibacterial activities were evaluated by three strains of spoilage bacteria,Escherichia coli,Pseudomonas aeruginosa and Shewanella putrefaciens,and the relationship of their antibacterial activities and structures was also investigated.Uv-vis spectrophotometry was used to determine the growth curves of three kinds of active indicator bacteria.Minimum inhibitory concentration(MIC)was determined by micro broth dilution method.The results showed that 2-methyl-3-(methylthio)pyrazine had significant antibacterial activity against three strains of the bacteria,and its MIC was 1.25%.It indicates 2-methyl-3-(methylthio)pyrazine has the potential to be developed as a kind of preservative in future.展开更多
A new cyclometalated iridium（IlI） complex Ir（DPP）3 （DPP=2,3-diphenylpyrazine） was prepared by reaction of DPP with iridium trichloride hydrate under microwave irradiation. The structure of the complex was confir...A new cyclometalated iridium（IlI） complex Ir（DPP）3 （DPP=2,3-diphenylpyrazine） was prepared by reaction of DPP with iridium trichloride hydrate under microwave irradiation. The structure of the complex was confirmed by elemental analysis, ^1H NMR, and mass spectroscopy. The UV-Vis absorption and photoluminescent properties of the complex were investigated. The complex shows strong ^1MLCT （singlet metal to ligand charge-transfer） and aMLCT （triplet metal to ligand charge-transfer） absorption at 382 and 504 nm, respectively. The complex also shows strong photoluminescence at 573 nm at room temperature. These results suggest the complex to be a promising phosphorescent material.展开更多
目的为评价CEREC椅旁CAD/CAM系统制作的IPS e.max CAD玻璃陶瓷高嵌体应用于根管治疗后牙缺损病例的临床效果。方法选择42例根管治疗后牙,应用高嵌体的牙体预备方式,采用CEREC椅旁CAD/CAM修复系统和IPS e.max CAD玻璃陶瓷,即刻完成修复...目的为评价CEREC椅旁CAD/CAM系统制作的IPS e.max CAD玻璃陶瓷高嵌体应用于根管治疗后牙缺损病例的临床效果。方法选择42例根管治疗后牙,应用高嵌体的牙体预备方式,采用CEREC椅旁CAD/CAM修复系统和IPS e.max CAD玻璃陶瓷,即刻完成修复体并粘接;修复1年后复查,参照改良修正后的美国公众健康服务标准(US Public Health Service Criteria,USPHS),在修复体边缘染色、边缘继发龋、修复体边缘适合性、修复体崩瓷折裂或脱落、修复体颜色、牙龈健康状况、修复体邻接关系、患者满意度8个方面进行评价。结果修复体边缘染色C级病例1例,成功率97.6%;边缘继发龋C级病例1例,成功率97.6%;修复体邻接关系欠佳C级病例1例,成功率97.6%;在边缘适合性、修复体崩瓷折裂或脱落、修复体颜色、牙龈健康状况、患者满意方面表现优秀,成功率均为100%。结论椅旁CAD/CAM系统制作的IPS e.maxCAD高嵌体修复体在短期内可取得良好的修复效果。展开更多
基金This work was supported by the National Natural Science Foundation of China(No.11602121)the Program for Scientific Research Innovation Team in Colleges and Universities of Ji’nan(No.2018GXRC006).
文摘In order to search for high energy density materials,various 4,8-dihydrodifurazano[3,4-b,e]pyrazine based energetic materials were designed.Density functional theory was employed to investigate the relationships between the structures and properties.The calculated results indicated that the properties of these designed compounds were influenced by the energetic groups and heterocyclic substituents.The-N3 energetic group was found to be the most effective substituent to improve the heats of formation of the designed compounds while the tetrazole ring/-C(NO_(2))_(3) group contributed much to the values of detonation properties.The analysis of bond orders and bond dissociation energies showed that the addition of-NHNH2,-NHNO_(2),-CH(NO_(2))_(3) and-C(NO_(2))_(3) groups would decrease the bond dissociation energies remarkably.Compounds A8,B8,C8,D8,E8,and F8 were finally screened as the potential candidates for high energy density materials since these compounds possess excellent detonation properties and acceptable thermal stabilities.Additionally,the electronic structures of the screened compounds were calculated.
基金Supported by The Tackling-plan Project of Henan Department of Science and Technology (222102310388)Key Scientific Research Plan of Colleges in Henan Province (22B350002)Henan Provincial Medical Science and Technology Research Plan Joint Construction Project (LHGJ20191520).
文摘Previous studies have shown that glycine and proline are pharmacophores that display antibacterial activity.In the present study,glycine and proline were derivated to diketopiperazine compounds by chemical synthesis method,and their antibacterial activities were evaluated by three strains of spoilage bacteria,Escherichia coli,Pseudomonas aeruginosa and Shewanella putrefaciens,and the relationship of their antibacterial activities and structures was also investigated.Uv-vis spectrophotometry was used to determine the growth curves of three kinds of active indicator bacteria.Minimum inhibitory concentration(MIC)was determined by micro broth dilution method.The results showed that 2-methyl-3-(methylthio)pyrazine had significant antibacterial activity against three strains of the bacteria,and its MIC was 1.25%.It indicates 2-methyl-3-(methylthio)pyrazine has the potential to be developed as a kind of preservative in future.
文摘A new cyclometalated iridium（IlI） complex Ir（DPP）3 （DPP=2,3-diphenylpyrazine） was prepared by reaction of DPP with iridium trichloride hydrate under microwave irradiation. The structure of the complex was confirmed by elemental analysis, ^1H NMR, and mass spectroscopy. The UV-Vis absorption and photoluminescent properties of the complex were investigated. The complex shows strong ^1MLCT （singlet metal to ligand charge-transfer） and aMLCT （triplet metal to ligand charge-transfer） absorption at 382 and 504 nm, respectively. The complex also shows strong photoluminescence at 573 nm at room temperature. These results suggest the complex to be a promising phosphorescent material.
文摘目的为评价CEREC椅旁CAD/CAM系统制作的IPS e.max CAD玻璃陶瓷高嵌体应用于根管治疗后牙缺损病例的临床效果。方法选择42例根管治疗后牙,应用高嵌体的牙体预备方式,采用CEREC椅旁CAD/CAM修复系统和IPS e.max CAD玻璃陶瓷,即刻完成修复体并粘接;修复1年后复查,参照改良修正后的美国公众健康服务标准(US Public Health Service Criteria,USPHS),在修复体边缘染色、边缘继发龋、修复体边缘适合性、修复体崩瓷折裂或脱落、修复体颜色、牙龈健康状况、修复体邻接关系、患者满意度8个方面进行评价。结果修复体边缘染色C级病例1例,成功率97.6%;边缘继发龋C级病例1例,成功率97.6%;修复体邻接关系欠佳C级病例1例,成功率97.6%;在边缘适合性、修复体崩瓷折裂或脱落、修复体颜色、牙龈健康状况、患者满意方面表现优秀,成功率均为100%。结论椅旁CAD/CAM系统制作的IPS e.maxCAD高嵌体修复体在短期内可取得良好的修复效果。
