求解非对称线性方程组的QMRGCGS方法

1 引言 求解非对称线性方程组Ax=b的双共轭梯度方法(BCG)[3]和它的变形共轭梯度平方方法(CGS)[6]都有典型的不规则收敛行为,后来Freund和Nachtigal提出一种BCG类方法,即拟极小剩余方法(QMR)[7],用来补救BCG方法的收敛性并且产生了光滑的收敛曲线。然而,象BCG方法一样,QMR方法要用到系数矩阵A及其转置A~T与向量的乘积,为了解决这一问题,Freund提出TFQMR方法,此方法具有拟极小剩余性,同时不需用到A~T与向量的乘积。     

Robust core-shell supramolecular assemblies based on cationic vesicles and ring-shaped [Mo154] polyoxomolybdate nanoclusters: template-directed synthesis and characterizations

Substantial progress has been made recently in extending the supramolecular assembly of biomimetic structures to vesicle-based sophisticated nanocomposites and mesostructures. We report herein the successful preparation of unilamellar surfactant vesicles coated with a monolayer of ring-shaped [Mo(154)] polyoxometalate (POM) nanoclusters, (NH(4))(28)[Mo(154)(NO)(14)O(448)H(14)(H(2)O)(70)]. approximately 350 H(2)O, by coulomb attractions using preformed didodecyldimethylammonium bromide (DDAB) surfactant vesicles as templates. The resultant vesicle-templated supramolecular assemblies are robust (they do not disintegrate upon dehydration) both at room-temperature ambient and vacuum conditions, as characterized by conventional transmission electron microscopy (TEM) and atomic force microscopy (AFM). The flexibility of the complex soft assemblies was also revealed by AFM measurements. The effect of POM-vesicle coulomb attractions on the dimensions of the templating vesicles was also investigated by using dynamic light scattering (DLS). Although origins of the structure stability of the as-prepared supramolecular assemblies are not clear yet, the nanometer scale cavities and the related properties of macroions of the POM clusters may play an important role in it.     

锌试剂分光光度法测定壳聚糖含量

利用锌试剂与壳聚糖在一定酸度条件下的特异性显色反应，即其复合物在465nm处吸光度与壳聚糖含量在0～O．04g／L范围内呈现良好的线性关系(R=0．996)，基于此建立了一种简便快速的分光光度法。平均回收率为99．68％。     

A theoretical study of electronic excited states of photosynthetic reaction center in Rhodopseudomonas viridis

The electronic singlet vertical excited states of photosynthetic reaction center (PSRC) in Rhodopseudomonas (Rps.) viridis were investigated by ZINDO and INDO/S methods. The effects of the interactions of pigment-pigment and pigment-protein on the electronic excitations were examined. The calculation results showed that the interactions of pigment-pigment and pigment-protein play an important role in reasonably assigning the experimental absorption and circular dichroism (CD) spectra of PSRC in Rps. virids. By comparing the theoretically computed excited states with the experimental absorption and CD spectra, satisfactory assignments of the experimental spectroscopic peaks were achieved.     

Electroreduction of α-glucose on CNT/graphite electrode modified by Zn and Zn–Fe alloy

Electroreduction of -glucose to form sorbitol on Zn/CNTs and Zn alloy/CNTs electrodes has been investigated in this paper. Carbon nanotubes (CNTs) used in this paper are grown directly on graphite disks by chemical vapor deposition. Zn and Zn alloy are electrodeposited on the activated CNTs/graphite electrode by pulse galvanostatic method. The micrographs of Zn/CNTs and Zn alloy/CNTs electrodes are characterized by scanning electron microscopy. The results show that the current efficiency of -glucose reduction on CNTs electrodes is much better than that on flat Zn electrodes. The order of the current efficiency on different electrodes is as follows: Zn/CNT (0.58) Zn–Fe/CNT (0.57)>Zn–Ni/CNT (0.43) Zn/graphite (0.42)>Zn (0.40). It indicates that CNTs have good potential application in electrosynthesis. Additionally, effects of some operating parameters, such as pH, temperature and -glucose concentration, on the current efficiency of -glucose reduction are also discussed.     

结晶聚合物的辐射效应：多官能团单体对LDPE的结晶成核作用

根据x射线、电镜、DSC和凝胶分数的测试结果,讨论了多官能团单体结构对低密度聚乙烯聚集态结构的影响以及结晶度与辐射交联(或剂量)的关系。发现由于单体的存在导致低密度聚乙烯结晶度增加而结晶尺寸变小(即结晶成核效应);成核效应越大,增强辐射交联的效果也越大。添加具有高结晶成核作用的单体有利于低密度聚乙烯的辐射交联,同时也加速其结晶结构的破坏。     

Investigation of the effects of Au-colloid modification on cobalt hexacyanoferrate film growth and mass transport by electrochemical quartz crystal microbalance

The growth of cobalt hexacyanoferrate (CoHCF) films on bare and Au-colloid-modified electrodes in nitrate or sulfate solutions was monitored by electrochemical quartz crystal microbalance. The average efficiency of CoHCF film growth for Au colloid modified electrodes is 23 and 12 ng cm(-2) s(-1) in KNO3 and K2SO4 solutions, respectively, while those values for the bare gold electrode are 15 and 9 ng cm(-2) s(-1), respectively. In K2SO4 solution, the apparent molar masses for the Au-colloid-modified electrode at lower and higher potential is 58.4 and 37.3 g mol(-1), respectively, which is larger than those for the bare gold electrode (51.7 and 26.3 g mol(-1), respectively). The respective results were also obtained in KNO3 solution. Furthermore, the difference of the apparent molar masses at lower and higher potential for Au-colloid-modified electrodes is smaller than that for bare gold electrodes in the same electrolyte. Additionally, the mechanism of charge propagation is dependent on different anions in electrolyte solutions at higher potentials where the second redox reaction of CoHCF occurs. Therefore, the existence of Au colloids can accelerate CoHCF film growth and weaken the effect of anions on mass transport.     

Characteristics of electroosmotic flow and migration of neutral solutes under stepwise gradient elution of capillary electrochromatography

A theoretical study on the velocity of electroosmotic flow (EOF) and the retention times of neutral solutes under multiple-step gradient of capillary electrochromatography (CEC) was carried out, focusing on that with three kinds of mobile phases. Through the model computations, the detaining time of the second kind of mobile phase in the column was proved to play an important role in affecting EOF. The variation speed of EOF was shown to be determined by the differences among dead times in different steps. In addition, the prediction of the retention times of 13 aromatic compounds under gradient mode was performed with the deduced equations. A relative error below 3.3% between the calculated and experimental values was obtained, which demonstrated the rationality of the theoretical deduction. Our study could not only improve the comprehension of stepwise gradient elution, but also be of significance for the further optimization of separation conditions in the analysis of complex samples.     

Ordered porous films based on fluorinated polyimide derived from 2,2′-bis(3,4-dicarboxyphenyl) hexafluoropropane dianhydride and 3,3′-dimethyl-4,4′-diaminodiphenylmethane

One of fluorinated polyimides was synthesized from 2,2′-bis(3,4-dicarboxyphenyl) hexafluoropropane dianhydride (6FDA) and 3,3′-dimethyl-4,4′-diaminodiphenylmethane (DMMDA) by two-steps method, which had good solubility and hydrophilicity. 6FDA-DMMDA polyimide was dissolved in chloroform (CHCl₃) and cast on a glass substrate in a humid atmosphere. It was found that 6FDA-DMMDA/CHCl₃ solution was easy to form ordered porous structure at high concentration, and the reason was discussed in detail. In addition, the influences of solution concentration, the atmosphere humidity, were also tested.     

An impedance analyzer method to simulate the oscillating characteristic of a series piezoelectric sensor in oscillators with zero or non-zero phases

An impedance analyzer method is employed to simulate the oscillation frequency of a series piezoelectric quartz crystal (SPQC) in electrolyte or non-electrolyte solutions. The influence of the oscillator phase on the oscillation frequency and response sensitivity are theoretically derived and experimentally verified. In non-electrolyte liquids, the oscillator phase has little effect on both the oscillation frequency and the response to the permittivity. But in electrolyte solutions, the oscillator phase has a significant influence on the oscillation frequency and the response sensitivity to the conductivity. Depending on the oscillator phase, the oscillation frequency of the SPQC may increase, be maintained or decrease with increasing conductivity in low or high conductive solutions. The dependence of the oscillation frequency of the SPQC on the supply voltage is explained. As an example of the applications, the SPQC is applied to the determination of the critical micelle concentration of ionic surfactants in aqueous solutions.