关于生物高分子元素活性中心分布规律的第四统计力学理论标度的研究(Ⅲ)——论各种化学元素成为生物高分子活性中心元素的先决条件

提出了各种化学元素成为有利于生命过程的生物高分子活性中心元素至少需要满足的八个条件：不能与环境中的OH^-和大量Cl^-发生沉淀；不能与各种有机酸和酰酮基团等过分络合；不能同氨基酸单体过分亲合；不能与生物蛋白分子中大量的酰胺基团过分络合；此外，有益于生命的元素离子还不能先同体内的—SH基团作用。本文还根据金属离子和不同基团的络合能力把各种元素分为有益元素群和有毒元素群，为从元素角度分析病因提供了原始科学依据。     

遗传算法在气体分离装置调优中的应用

提出了一种基于遗传算法和随机复合形法相结合的混合遗传算法，并以某厂气体分馏装置的生产过程的优化问题进行了测试，得出了优化操作条件。     

二苯并四氧二氮环醚及其稀土配合物合成与荧光性质研究

合成了二十员大环双氮杂冠醚：2，3，l6，l7—二苯—l，8，ll，18—四氧—5，14—二氮杂环二十烷及其7个与稀土硝酸盐(RE^3 ＝La^3 ，Sm^3 ，Eu^3 ，Gd^3 ，Tb^3 ，Dy^3 。Yb^3 )所形成的1：2(M：L)型固体配合物，并经过红外光谱、元素分析、摩尔电导及热分析等方法对配合物进行了表征．结果表明，配位是通过配体中的C—O-C进行的，而Ar—O-C未参与配位，同时含2分子配位水．对Sm(Ⅲ)，Eu(Ⅲ)，Tb(Ⅲ)，Dy(Ⅲ)的配合物进行了荧光光谱测定，所有配合物均有较强的荧光强度，其中Tb(Ⅲ)的配合物荧光强度最高，表明该新双氮杂冠醚配体三重态的能量与Tb(Ⅲ)的振动能级最为匹配．     

紫外分光光度法测定药物雷洛昔芬

在pH1.4～2.4的NaAc HCl酸性缓冲介质中,药物雷洛昔芬与依文思蓝作用,形成离子缔合物,在280nm处产生强吸收。在此波长处吸光度A与雷洛昔芬浓度在0～2.3×10-5mol·L-1范围内,遵守比耳定律。建立了测定雷洛昔芬的分光光度法,测得表观摩尔吸光系数ε280达1.84×104L·mol-1·cm-1。该方法操作简便快捷,灵敏度较高,体系稳定。用于合成样中雷洛昔芬的测定,结果满意。     

一类结构不确定系统的摄动反馈分析与设计

对一类对象和控制器同时具有结构不确定摄动的闭环系统的鲁棒稳定性分析与设计问题进行了研究。利用Riccati不等式、H∞ 范数及矩阵分解等方法 ,得到了系统不确定参数的一种鲁棒稳定摄动界。进一步给出了已知系统参数摄动界时的标称控制器的设计方法。     

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.     

Review on aggregation of acid extractants in solvent extraction of metal ions: remark on the general model

The aggregation behavior of various acid extractants in the solvent extraction systems of metal ions is re-examined and explained according to knowledge obtained in recent work. The conclusions are as follows. (1) Complexes formed by the extractants and metal ions can form reversed micelles in organic diluents, depending on the microstructures of the complexes. The dimers of the acid extractant cannot percolate to the metal-extractant aggregates, and the acid-salt complexes are always formed in the aggregates. The reversed micelles or the W/O microemulsions formed by different species cannot be associated with each other to form a unified aggregate. (2) In solvent extraction systems, hydration of the extractants and metal ions can be considered as the driving force of forming reversed micelles. (3) Information of the first approach to the insight of the bicontinuous microemulsion of NaDEHP shows that various components in the aqueous phase behave confined and very similar to the typical AOT/n-heptane W/O microemulsions. (4) In the extraction of lanthanide ions by the W/O microemulsion of sodium naphthenate, the saponification is a process of forming reversed micelle or W/O microemulsion, while the extraction step is a process of destroying reversed micelles or W/O microemulsion droplets.     

Pb isotopic geochemical study on the crustal structure of Tongbaishan

Pb isotopic composition of the Tongbai complex, distributed in the Tongbaishan to the west of the Dabieshan, ranges between the Dabie core complex and the Dabie ultral-high pressure (UHP) metamorphic complex, the latter having more radiogenic Pb isotopic composition than the former. Granites from the Jigongshan pluton, which intruded mainly into the Tongbai complex, are distinct from the Tongbai complex but similar to the Dabie core complex in Pb isotopic composition, showing that the magma of the Jigongshan granites was derived from the partial melting of the Dabie core complex. According to Pb isotopic compositional variation model in the vertical crustal section and magma source from the Jigongshan pluton, it is suggested that the Tongbai complex was an upper rock serial of the Dabie core complex, which is beneath the Dabie UHP metamorphic complex in the crustal structure of the Tongbai-Dabie orogenic belt. The Tongbai complex was not well preserved in the Dabie area due to the high exhumed crustal section. However, the crustal section in the Tongbai area was exhumed less than that in the Dabie area, and the deep crust in the Tongbai area still contains the basement composition similar to the Dabie core complex. Therefore, the crustal basements from the Dabie to Tongbai areas are united. The present distribution of the basement blocks in different locations of the Tongbai-Dabie orogenic belt reflects different exposure of the crustal section.     

Compact difference approximation with consistent boundary condition

For simulating multi-scale complex flow fields it should be noted that all the physical quantities we are interested in must be simulated well. With limitation of the computer resources it is preferred to use high order accurate difference schemes. Because of their high accuracy and small stencil of grid points computational fluid dynamics (CFD) workers pay more attention to compact schemes recently. For simulating the complex flow fields the treatment of boundary conditions at the far field boundary points and near far field boundary points is very important. According to authors' experience and published results some aspects of boundary condition treatment for far field boundary are presented, and the emphasis is on treatment of boundary conditions for the upwind compact schemes. The consistent treatment of boundary conditions at the near boundary points is also discussed. At the end of the paper are given some numerical examples. The computed results with presented method are satisfactory.     

A dynamic fuzzy clustering method based on genetic algorithm

A dynamic fuzzy clustering method is presented based on the genetic algorithm. By calculating the fuzzy dissimilarity between samples the essential associations among samples are modeled factually. The fuzzy dissimilarity between two samples is mapped into their Euclidean distance, that is, the high dimensional samples are mapped into the two-dimensional plane. The mapping is optimized globally by the genetic algorithm, which adjusts the coordinates of each sample, and thus the Euclidean distance, to approximate to the fuzzy dissimilarity between samples gradually. A key advantage of the proposed method is that the clustering is independent of the space distribution of input samples, which improves the flexibility and visualization. This method possesses characteristics of a faster convergence rate and more exact clustering than some typical clustering algorithms. Simulated experiments show the feasibility and availability of the proposed method.