Quantum chemical studies on protonation of some substituted thiazole derivatives

The acidity constants, pK(a) values for protonation of some substituted thiazole derivatives were calculated by using AM1 and PM3 basis sets of semi-empirical methods and B3LYP/6-31G(d) basis sets of density functional theory (DFT) calculated physical and thermodynamic parameters. Correlation search among the experimental and calculated acidity constants, pK(a) values, revealed that the best correlation exist between the experimental and ab initio calculated pK(a) values with a regression of R(2)=0.98.     

Efficient storage of healthcare data in XML-based smart cards

In this paper we present storage structures for efficiently processing XML path queries on healthcare data stored in smart cards using XML format. In the design of the storage structures that we present, properties of healthcare data and fundamental types of queries on the healthcare data are taken into account as well as the constraints of the smart cards. We compare the space and time efficiency of the proposed storage structures for various types of queries.     

高性能混凝土配合比设计的试验研究

从对HPC组成、结构的认识出发，借鉴利用拨开系数求砂率的方法，提出了一种新的HPC配制方法，并通过试验证实该方法是完全可行的．     

Synthesis and electrochemical,in situ spectroelectrochemical,electrical and gas sensing properties of ball-type homo- and hetero-dinuclear phthalocyanines with four [1a,8b-dihydronaphtho[b]naphthofuro[3,2-d]furan-7,10-diyl] bridges

The new mono-nuclear Fe^II 2 and ball-type homo-dinuclear Fe^II–Fe^II 3 phthalocyanines have been synthesized from the corresponding 4,4′-(1a,8b-dihydronaphtho[b]naphthofuro[3,2-d]-furan-7,10-diyl)bis(oxy)diphthalonitrile 1 while ball-type hetero-dinuclear Fe^II–Co^II phthalocyanine 4 was synthesized from 2. The compounds have been characterized by elemental analysis, UV–vis, IR and MALDI-TOF-mass spectroscopies. The redox behaviours of the complexes were identified by controlled-potential coulometry, cyclic voltammetry and differential pulse voltammetry measurements on Pt in dimethylsulfoxide containing tetrabutylammonium perchlorate. The assignments of the redox processes and the understanding of the interactions between the metal phthalocyanine units in 3 and 4 were achieved by the combined evaluation of the voltammetric and in situ spectroelectrochemical outcomes. Complex 3 showed ring-based mixed-valence behaviour as a result of the considerable interaction between the phthalocyanine rings. On the other hand, the interactions between the two metal phthalocyanine units of 4 were found to be much weaker than those in 3. The potential application of molecular organic semiconductors needs the control adjustment of conductivity. Ac and dc conductivity measurements were performed with the applied external electric filed. At high frequency, the conduction follows the universal power law and conduction mechanism can be explained by classical hopping barriers mechanism for the system.     

提高导引头测角精度的一种新方法

分析了基于小波变换系数极大值原理的小波阈值降噪算法。由于导引头接收信号的信噪比影响了MUSIC超分辨算法的测角精度，因此提出将小波阈值降噪算法用于MUSIC超分辨算法精度分析，并进行了仿真验证，实现了改善信噪比，提高导引头测角精度的目的。     

A quasi-static analysis for a class of induced-current EIT systems using discrete coils

A discrete coil EIT system is investigated for the general case of an eccentric circular inhomogeneity. The solution methodology of the forward problem of this system is explained. An optimization procedure using this forward problem solution is developed to find optimum currents that maximize the distinguishability. For an eccentric inhomogeneity problem, it is shown that the coil currents can be optimized to focus the current density in a region of interest. Optimum coil currents under limited peak coil currents constraint and limited total power constraint are obtained. Representative examples that demonstrate the performance of the system are presented.