The ground state hydrogen conformations and vibrational analysis of 3-deazauracil(3DAU)and 6-azauracil(6AU)tautomers(4-enol and 2,4-diol forms)have been calculated using ab initio Hartree-Fock(HF)and density functiona...The ground state hydrogen conformations and vibrational analysis of 3-deazauracil(3DAU)and 6-azauracil(6AU)tautomers(4-enol and 2,4-diol forms)have been calculated using ab initio Hartree-Fock(HF)and density functional theory(B3LYP)methods with 6-311++G(d,p)basis set level.The calculations have shown that the most probably preferential tautomer of 3DAU and 6AU are the 4-enol form,which gives best fit to the corresponding experimental data.The ground state conformer of the 2,4-diol form has two O—H bonds which are oriented externally and internally(to the N—H bond).The vibrational analyses of the ground state conformer of each tautomeric form of 3DAU and 6AU were done and their optimized geometry parameters(bond lengths and bond angles)were given.Furthermore,from the correlations values it was concluded that the B3LYP method is superior to the HF method for both the vibrational frequencies and the geometric parameters.展开更多
In search for new antioxidant agents derived from 6-azauracil, the spiro-5-(flurin-9’-yl)-6-azauracil 3 and their N,N-disubstituted-6-azauracils 4 - 17 have been synthesized using various methods and reaction conditi...In search for new antioxidant agents derived from 6-azauracil, the spiro-5-(flurin-9’-yl)-6-azauracil 3 and their N,N-disubstituted-6-azauracils 4 - 17 have been synthesized using various methods and reaction conditions. Structure of the new synthesized compounds was deduced from elemental analysis and spectral measurements, for example IR, 1H/13C NMR and mass spectroscopy. The antioxidant evaluation of the new targets showed that the activity increases in the order of 8 > 10 > 6 > 7 > 9 in comparison with 2,2-Diphenyl-1-picrylhydrazyl (DPPH) and ascorbic acid as standards.展开更多
随着智能电网的快速发展与物联网终端设备的规模化应用部署,互联网协议第6版(Internet Protocol Version 6,IPv6)技术依托其丰富的地址资源和安全特性,已成为网络架构的关键支撑,IPv6地址的管理和日志审计对保障电网安全稳定运行至关重...随着智能电网的快速发展与物联网终端设备的规模化应用部署,互联网协议第6版(Internet Protocol Version 6,IPv6)技术依托其丰富的地址资源和安全特性,已成为网络架构的关键支撑,IPv6地址的管理和日志审计对保障电网安全稳定运行至关重要。系统探讨了智能电网中物联网设备IPv6地址相关技术原理,深入分析了IPv6地址日志审计技术在智能电网中的应用难点与挑战,提出一种IPv6地址日志审计的简易优化方案,并通过实际案例进行分析和可行性验证,为智能电网中的实际应用提供理论依据和实践指导,对推动智能电网网络安全建设具有重要意义。展开更多
基金supported by Research Fund of the Erzincan University(Project no:FEN-A-150615-0149)
文摘The ground state hydrogen conformations and vibrational analysis of 3-deazauracil(3DAU)and 6-azauracil(6AU)tautomers(4-enol and 2,4-diol forms)have been calculated using ab initio Hartree-Fock(HF)and density functional theory(B3LYP)methods with 6-311++G(d,p)basis set level.The calculations have shown that the most probably preferential tautomer of 3DAU and 6AU are the 4-enol form,which gives best fit to the corresponding experimental data.The ground state conformer of the 2,4-diol form has two O—H bonds which are oriented externally and internally(to the N—H bond).The vibrational analyses of the ground state conformer of each tautomeric form of 3DAU and 6AU were done and their optimized geometry parameters(bond lengths and bond angles)were given.Furthermore,from the correlations values it was concluded that the B3LYP method is superior to the HF method for both the vibrational frequencies and the geometric parameters.
文摘In search for new antioxidant agents derived from 6-azauracil, the spiro-5-(flurin-9’-yl)-6-azauracil 3 and their N,N-disubstituted-6-azauracils 4 - 17 have been synthesized using various methods and reaction conditions. Structure of the new synthesized compounds was deduced from elemental analysis and spectral measurements, for example IR, 1H/13C NMR and mass spectroscopy. The antioxidant evaluation of the new targets showed that the activity increases in the order of 8 > 10 > 6 > 7 > 9 in comparison with 2,2-Diphenyl-1-picrylhydrazyl (DPPH) and ascorbic acid as standards.
文摘随着智能电网的快速发展与物联网终端设备的规模化应用部署,互联网协议第6版(Internet Protocol Version 6,IPv6)技术依托其丰富的地址资源和安全特性,已成为网络架构的关键支撑,IPv6地址的管理和日志审计对保障电网安全稳定运行至关重要。系统探讨了智能电网中物联网设备IPv6地址相关技术原理,深入分析了IPv6地址日志审计技术在智能电网中的应用难点与挑战,提出一种IPv6地址日志审计的简易优化方案,并通过实际案例进行分析和可行性验证,为智能电网中的实际应用提供理论依据和实践指导,对推动智能电网网络安全建设具有重要意义。
