新型Cu(II)双核配合物的合成、结构表征和量化计算

以二(2-苯并咪唑亚甲基)胺(N3)为配体,合成了一种新型Cu(II)双核配合物作为超氧化物歧化酶(SOD)的模型化合物.采用元素分析、UV和IR光谱进行了表征,应用X射线衍射方法测定了晶体结构,并利用G98W程序在HF/LANL2DZ基组水平上对该双核配合物进行了量子化学计算.晶体结构分析表明,Cu(II)双核配合物的化学式量分子(C42H40N12O17Cl4Cu2)是以4,4′-联吡啶为桥的Cu(II)双核配合物单元,Cu(II)与配位原子形成变形八面体构型,轴向配位氧原子来源于高氯酸根.量化计算所得原子轨道贡献和原子净电荷布居分析结果与晶体结构中的配位情况相符.     

分解者亚系统能量流动的数学分析

依据房室模型和微分方程理论,对绿色农业生态系统中的分解者亚系统的能量流动过程进行了数学分析,建立了数学模型。稳定性分析结果表明,在绿色农业生态系统中,分解者亚系统能量流动过程中的平衡态是渐进稳定的。即该平衡态的稳定性机制为负反馈机制,该系统具有抵抗干扰和保持系统平衡态的自我调节能力,以确保能量流动的正常进行。最后,通过解微分方程,给出了该系统能量流动的数学模拟公式。     

在工科数学教学中加强数学应用意识教学的思考

阐述了加强数学应用意识教学的重要性,教师是加强数学应用意识教学的关键,加强数学应用意识教学应该适当增加数学实验与数学建模内容,在数学教学中加强对人的发展作用。     

铂(II)与胺类配合物的合成、晶体结构和抗肿瘤活性研究

研究铂(II)与三种胺类配合物的合成、晶体结构和体外抗肿瘤活性,化合物1的X-射线单晶结构分析表明:这是一个很少见的具有四方锥几何构型的铂(II)配合物,顺式平面四方形配位的铂的轴向上有第5个配位原子。其抗肿瘤活性实验显示3个配合物对几种研究的癌细胞都有较强的抑制作用。     

Synthesis and Characterization of Porphyrin-Trisbenzimidazole Dinucleating Ligand and Its Heterodinuclear Complex as CcO Active Site Model

A new dinucleating ligand having two metal-binding sites has been designed and synthesized as model ligand for Cytochrome c Oxidase. The corresponding heterodi-nuclear complex, as an active site model of Cytochrome c Oxidase, consisting of a porphyrinatocobalt compound covalently linked with a copper derivative of tris(2-benzimidazylmethyl) amine bearing three benzimidazole ligands for copper was synthesized and spectroscopically characterized. The spectra data suggest that there are interactions between the cobalt and copper coordination units. The cobalt is coordinated to four central nitrogens of the porphyrin and the copper has pentaco-ordinate geometry with the four tertiary amine nitrogens and a chloride.     

梯级水库联合理想补偿调节研究

针对梯级水库群防洪调度问题，建立了一个梯级联合优化调度模型，并对此模型提出了一种联合理想补偿调节方式，通过对白山和丰满水库联合调度计算可得到良好的效果。     

呼气未正压通气治疗急性肺水肿

目的:评价呼气末正压通气(PEEP)治疗急性肺水肿的临床疗效。方法:30例急性肺水肿患者,在药物治疗基础上,加用PEEP(3～8cmH_2O)机械通气治疗,对比治疗前后血压(BP)、呼吸(R)、心率(HR)、氧饱和度(SaO_2)等动脉血气指标及胸片变化,同时与30例常规药物治疗组进行对比。结果:经PEEP机械通气治疗0.5～1h后,29例呼吸频率减慢、心率减慢,氧饱和度上升,血气指标好转,心功能改善,仅一例无效死亡。总有效率96.67％。结论:呼气末正压通气是治疗急性肺水肿快速、有效的方法。     

A model for assessing effects of climate change on runoff in China

A model is established for assessing the effects of climate change on runoff in China based on the land surface parameterization scheme variable infiltration capacity (VIC). The entire area of China is represented by 2604 cells with a resolution of 60 km×60 km for each cell. Forcing data, soil and vegetation parameters needed by the VIC model for the entire area of China are prepared. Daily forcing data, which are obtained from 740 stations between 1980 and 1990, are interpolated to the 60 km×60 km grid system. The VIC model is run on every grid cell over the whole China, and a routing scheme is run offline with daily input of surface runoff and drainage from the VIC to get hydrograph at basin outlets. The spatial patterns of simulated runoff and mean annual precipitation are consistent very well. The results of monthly streamflow simulations over the Huaihe and Weihe River basins indicate that there is a good agreement between the observed and simulated values, and also initially indicate the rationality and feasibility of the evaluation model.     

A new method to dynamically simulate groundwater table in land surface model VIC

Soil moisture plays an important role in water and energy balance in land-atmospheric interaction, but is impacted directly by the groundwater table. Dynamic variation of the groundwater table can be described mathematically by a moving boundary problem. In this paper, the moving boundary problem is reduced to a fixed boundary problem through a coordinate transformation. A new model of groundwater table simulation is developed using the mass-lumped finite element method and is coupled with the land surface model of Variable Infiltration Capacity (VIC). The simulation results show that the new model not only can simulate the groundwater table dynamically, but also can evade the choice of water table depth scale in computation with a low computation cost.     

Lorenz系统混沌解序列可预报性的统计检验

利用Lorenz简化热对流模式产生了吸引子区域内的混沌解序列，对截取的序列进行了乎稳性和正态性检验．按照3种情形分别选取样本，并应用统计预报中的ARMA模型、多元线性回归模型、多项式回归模型和均值生成函数模型等作出项报。比较分析表明：所选取方程组产生的混池解序列，呈现非周期、非乎稳、非正态特性等极不规则的分布，导致几种统计模型对于两个不稳定平衡状态间的不确定的突变情形基本失去了预报能力，系统行为几乎无法预测，其根本原因在于系统的混沌特性。但在某一不稳定平衡状态内，序列段呈现振幅不断放大的准周期振荡，具有一定的规律性，几种统计模型预报的效果较好，说明在应用统计方法进行预报的前提下，系统行为存在着局部时段的有限的可预报性。