基于39GHz室外微蜂窝场景实测数据,开展了毫米波段路径损耗、阴影衰落和大尺度参数的建模与仿真研究.介绍了毫米波段喇叭旋转测量系统下空间交替广义期望最大化(Space-Alternating Generalized Expectation-maximization,SAGE)算法信号...基于39GHz室外微蜂窝场景实测数据,开展了毫米波段路径损耗、阴影衰落和大尺度参数的建模与仿真研究.介绍了毫米波段喇叭旋转测量系统下空间交替广义期望最大化(Space-Alternating Generalized Expectation-maximization,SAGE)算法信号模型,优化的分簇算法与莱斯因子计算方法.基于SAGE提取多径参数,利用优化的分簇算法提取并分析了簇参数,包括簇内角度扩展、簇内时延扩展以及簇的数目,并根据测量结果验证了第三代合作伙伴计划(The 3rd Generation Partnership Project,3GPP)第五代(the 5th Generation,5G)移动通信标准推荐的仿真平台准确定性无线信道产生器(Quasi-Deterministic Radio Channel Generator,QuaDRiGa)在39GHz的可用性.结果表明:在视距径下,方向性路损和全向路损在固定截距和浮动截距两种拟合方式下与自由空间路损模型接近;大尺度参数统计特性与基于毫米波的第五代集成通信移动无线电接入网络(Millimetre-Wave Based Mobile Radio Access Network for Fifth Generation Integrated Communications,mmMAGIC)、3GPP结论接近;视距径与非视距径的簇参数差别较小,且簇的个数较6GHz下的频段更少.本文为5G毫米波39GHz频段信道仿真和系统设计提供了重要的信道模型和参数.展开更多
We describe a computational approach,incorporating quantum mechanics into enzyme kinetics modeling with a special emphasis on computation of kinetic isotope effects.Two aspects are highlighted:(1) the potential energy...We describe a computational approach,incorporating quantum mechanics into enzyme kinetics modeling with a special emphasis on computation of kinetic isotope effects.Two aspects are highlighted:(1) the potential energy surface is represented by a combined quantum mechanical and molecular mechanical(QM/MM) potential in which the bond forming and breaking processes are modeled by electronic structure theory,and(2) a free energy perturbation method in path integral simulation is used to determine both kinetic isotope effects(KIEs).In this approach,which is called the PI-FEP/UM method,a light(heavy) isotope is mutated into a heavy(light) counterpart in centroid path integral simulations.The method is illustrated in the study of primary and secondary KIEs in two enzyme systems.In the case of nitroalkane oxidase,the enzymatic reaction exhibits enhanced quantum tunneling over that of the uncatalyzed process in water.In the dopa delarboxylase reaction,there appears to be distinguishable primary carbon-13 and secondary deuterium KIEs when the internal proton tautomerism is in the N-protonated or in the O-protonated positions.These examples show that the incorporation of quantum mechanical effects in enzyme kinetics modeling offers an opportunity to accurately and reliably model the mechanisms and free energies of enzymatic reactions.展开更多
文摘基于39GHz室外微蜂窝场景实测数据,开展了毫米波段路径损耗、阴影衰落和大尺度参数的建模与仿真研究.介绍了毫米波段喇叭旋转测量系统下空间交替广义期望最大化(Space-Alternating Generalized Expectation-maximization,SAGE)算法信号模型,优化的分簇算法与莱斯因子计算方法.基于SAGE提取多径参数,利用优化的分簇算法提取并分析了簇参数,包括簇内角度扩展、簇内时延扩展以及簇的数目,并根据测量结果验证了第三代合作伙伴计划(The 3rd Generation Partnership Project,3GPP)第五代(the 5th Generation,5G)移动通信标准推荐的仿真平台准确定性无线信道产生器(Quasi-Deterministic Radio Channel Generator,QuaDRiGa)在39GHz的可用性.结果表明:在视距径下,方向性路损和全向路损在固定截距和浮动截距两种拟合方式下与自由空间路损模型接近;大尺度参数统计特性与基于毫米波的第五代集成通信移动无线电接入网络(Millimetre-Wave Based Mobile Radio Access Network for Fifth Generation Integrated Communications,mmMAGIC)、3GPP结论接近;视距径与非视距径的簇参数差别较小,且簇的个数较6GHz下的频段更少.本文为5G毫米波39GHz频段信道仿真和系统设计提供了重要的信道模型和参数.
文摘We describe a computational approach,incorporating quantum mechanics into enzyme kinetics modeling with a special emphasis on computation of kinetic isotope effects.Two aspects are highlighted:(1) the potential energy surface is represented by a combined quantum mechanical and molecular mechanical(QM/MM) potential in which the bond forming and breaking processes are modeled by electronic structure theory,and(2) a free energy perturbation method in path integral simulation is used to determine both kinetic isotope effects(KIEs).In this approach,which is called the PI-FEP/UM method,a light(heavy) isotope is mutated into a heavy(light) counterpart in centroid path integral simulations.The method is illustrated in the study of primary and secondary KIEs in two enzyme systems.In the case of nitroalkane oxidase,the enzymatic reaction exhibits enhanced quantum tunneling over that of the uncatalyzed process in water.In the dopa delarboxylase reaction,there appears to be distinguishable primary carbon-13 and secondary deuterium KIEs when the internal proton tautomerism is in the N-protonated or in the O-protonated positions.These examples show that the incorporation of quantum mechanical effects in enzyme kinetics modeling offers an opportunity to accurately and reliably model the mechanisms and free energies of enzymatic reactions.
