Applications of the method of three-dimensional projection of a molecule in quantitative structure-activity relationship of phenol derivatives

Five variables for phenol derivatives were calculated by molecular projection in three-dimensional space which were combined with eight quantum-chemical parameters and three Am indices. These variables were selected by using leaps-and-bounds regression analysis. Multiple linear regression analysis and artificial neural networks' were performed, and the results obtained by using. artificial neural networks are superior than that obtained by using multiple linear regression.

Covalent grafting of luminescent rare earth complex onto MCM-41 by postsynthesis

New luminescent hybrid mesoporous material was prepared by covalent anchoring rare earth complex onto MCM-41 by a postsynthesis approach. The monomer (referred to here as PABI) which plays double roles, i.e., as a ligand for lanthanide ion and as an organic functional molecule to modify MCM-41 is synthesized and characterized by H-1 NMR and MS. The fluorescence spectra show clearly that the hybrid mesoporous material possesses excellent luminescence characteristics. The hybrid mesoporous material retains the structure of MCM-41 after modification.

Oxidation of NADH by dopamine incorporated in lipid film cast onto a glassy carbon electrode

Stable lipid film was made by casting lipid in chloroform onto a glassy carbon electrode. This model of a biological membrane was used to investigate the oxidation of dihydronicotinamide adenine dinucleotide (NADH) by dopamine. After this electrode had been immersed in dopamine solution for 10 h, it was found that some dopamine had been incorporated in the film. The cyclic voltammogram was obtained for the oxidation of 2.0 X 10(-3) mol 1(-1) NADH with dopamine incorporated in the films. All electrochemical experiments were performed in 0.005 mol 1(-1) phosphate buffer (pH 7.0) containing 0.1 mol 1(-1) NaCl without oxygen. The oxidation current increased gradually with successive sweeps and reached steady state. It was a different phenomenon from previous results. The anodic overpotential was reduced by about 130 mV compared with that obtained at a bare glassy carbon electrode. The diffusion coefficient for 2.0 X 10(-3) mol 1(-1) NADH was 6.7 X 10(-6) cm(2) s(-1). (C) 1999 Elsevier Science S.A. All rights reserved.

Crafting of glycidyl methacrylate onto ethylene-propylene copolymer: Preparation and characterization

Ethylene-propylene copolymer (EP) was functionalized with glycidyl methacrylate (GMA) by means of a radical-initiated melt grafting reaction. FTIR and ESCA were used to characterize the formation of EP-g-GMA copolymers. The content of GMA in EP-g-GMA was determined by using hydrochloric acid/xylene titration. Effects of concentrations of GMA and dicumyl peroxide on grafting rate were studied. It was found that contact angles of the water on surfaces of EP-g-GMA samples increased with increasing content of GMA in EP-g-GMA. The influence of the content of GMA on the crystallization structure of EP-g-GMA was investigated by DSC and WAXD. Compared with the plain EP, the crystallization temperature of propylene blocks of EP-g-GMA increased over 10 K, and the melting temperature and crystallinity decreased somewhat. Functionalization of EP led to the change of the crystal form of propylene blocks from the mixed form of alpha and beta into the alpha form. (C) 1996 John Wiley & Sons, Inc.

A comparison of electrocatalytic ability of various mediators adsorbed onto paraffin impregnated graphite electrodes for oxidation of reduced nicotinamide coenzymes

Twelve mediators have been modified by adsorption onto the paraffin impregnated graphite electrodes (IGE). The resulting electrodes exhibit electrocatalytic activity of different degrees towards oxidation of 1,4-dihydronicotinamide adenine dinucleotide (NADH). The electrocatalytic ability of the chemically modified electrode (CME) depends mainly on the formal potential and molecular structure of mediator. The formation of the charge transfer complex between NADH and adsorbed mediator has been demonstrated by the experiments using a rotating disk electrode. An electrocatalytic scheme obeying Michaelis-Menten kinetics has been confirmed, and some kinetic parameters were estimated. The solution pH influences markedly the electrocatalytic activity of the modified electrode. Various possible reasons are discussed.

PLASMA-INDUCED GRAFTING OF STYRENE ONTO NASCENT POLYETHYLENE POWDER

In this paper, the graft copolymers of styrene to nascent linear polyethylene reactor powders were prepared through plasma graft polymerization. The grafting reaction was initiated by the alkyl radicals formed on the surface of nascent polyethylene with plasma treatment as indicated by electron spin resonance spectra. In graft copolymerization by alkyl radicals, the grafting yield increased with either the plasma power or the plasma treatment lime. Compared with ordinary polyethylene powders, nascent polyethylene reactor powders were found to be more easily plasma-grafted. This has been attributed to the greater sensitivity to irradiation in producing reactive centres under the same conditions. High density polyethylene showed almost the same grafting yield as linear low density polyethylene at 50 degrees C. The surface morphology of nascent polyethylene observed by scanning electron microscope before and after the grafting showed that the silk-like fibrils were not destroyed by plasma treatment.

RADIATION GRAFT COPOLYMER OF ACRYLIC-ACID ONTO EVA

The structure of the radiation graft copolymer of acrylic acid onto EVA has been studied by infrared spectroscopy and XPS. It was found that along with the main peak C there is a photoelectron peak at 288.5 eV attributed to [GRAPHICS] group in XPS spectra and the content of its area in XPS increases with increasing of grafting degree of EVA. It was also found that hydrophilicity of EVA increases with the increase of grafting degree.

A QUASI-SIMPLEX METHOD FOR STRICTLY CONVEX QUADRATIC PROGRAMMING

本文提出一个不用 Kuhn- Tucker条件而直接搜索严格凸二次规划最优目标点的鲁棒方法 .在搜索过程中 ,目标点沿约束多面体边界上的一条折线移动 .这种移动目标点的思想可以被认为是线性规划单纯形法的自然推广 ,在单纯形法中 ,目标点从一个顶点移到另一个顶点。

改善三维波动方程叠前深度偏移处理效果的方法研究

3D wave equation prestack depth migration is the effective tool for obtaining the exact imaging result of complex geology structures. It's a part of the 3D seismic data processing. 3D seismic data processing belongs to high dimension signal processing, and there are some difficult problems to do with. They are: How to process high dimension operators? How to improve the focusing? and how to construct the deconvolution operator? The realization of 3D wave equation prestack depth migration, not only realized the leap from poststack to prestack, but also provided the important means to solve the difficult problems in high dimension signal processing. In this thesis, I do a series research especially for the solve of the difficult problems around the 3D wave equation prestack depth migration and using it as a mean. So this thesis service for the realization of 3D wave equation prestack depth migration for one side and improve the migration effect for another side. This thesis expatiates in five departs. Summarizes the main contents as the follows: In the first part, I have completed the projection from 3D data point area to low dimension are using de big matrix transfer and trace rearrangement, and realized the liner processing of high dimension signal. Firstly, I present the mathematics expression of 3D seismic data and the mean according to physics, present the basic ideal of big matrix transfer and describe the realization of five transfer models for example. Secondly, I present the basic ideal and rules for the rearrange and parallel calculate of 3D traces, and give a example. In the conventional DMO focusing method, I recall the history of DM0 process firstly, give the fundamental of DMO process and derive the equation of DMO process and it's impulse response. I also prove the equivalence between DMO and prestack time migration, from the kinematic character of DMO. And derive the relationship between DMO base on wave equation and prestack time migration. Finally, I give the example of DMO process flow and synthetic data of theoretical models. In the wave equation prestak depth migration, I firstly recall the history of migration from time to depth, from poststack to prestack and from 2D to 3D. And conclude the main migration methods, point out their merit and shortcoming. Finally, I obtain the common image point sets using the decomposed migration program code.In the residual moveout, I firstly describe the Viterbi algorithm based on Markov process and compound decision theory and how to solve the shortest path problem using Viterbi algorithm. And based on this ideal, I realized the residual moveout of post 3D wave equation prestack depth migration. Finally, I give the example of residual moveout of real 3D seismic data. In the migration Green function, I firstly give the concept of migration Green function and the 2D Green function migration equation for the approximate of far field. Secondly, I prove the equivalence of wave equation depth extrapolation algorithms. And then I derive the equation of Green function migration. Finally, I present the response and migration result of Green function for point resource, analyze the effect of migration aperture to prestack migration result. This research is benefit for people to realize clearly the effect of migration aperture to migration result, and study on the Green function deconvolution to improve the focusing effect of migration.