Growth of cationic lipid toward bilayer, lipid membrane by solution spreading: scanning probe microscopy study

The growth of cationic lipid dioctadecyldimethylammonium bromide (DODAB) toward bilayer lipid membrane (BLM) by solution spreading on cleaved mica surface was studied by atomic force microscopy (AFM). Bilayer of DODAB was formed by exposing mica to a solution of DODAB in chloroform and subsequently immersing into potassium chloride solution for film developing. AFM studies showed that at the initial stage of the growth, the adsorbed molecules exhibited the small fractal-like aggregates. These aggregates grew up and expanded laterally into larger patches with time and experienced from monolayer to bilayer, finally a close-packed bilayer film (5.4 +/- 0.2 nm) was approached. AFM results of the film growth process indicated a growth mechanism of nucleation, growth and coalescence of dense submonolayer, it revealed the direct information about the film morphology and confirmed that solution spreading was an effective technique to prepare a cationic bilayer in a short time.

Correlation analysis of the structures and stability constants of gadolinium(III) complexes

To simplify the abstraction of descriptors, for the correlation analysis of the stability constants of gadolinium(III) complexes and their ligand structures, aiming at gadolinium(III) complexes, we only considered the ligands and ignored the common parts of the structures, i.e., the metal ions. Quantum-chemical descriptors and topological indices were calculated to describe the structures of the ligands. Multiple regression analysis and neural networks were applied to construct the models between the ligands and the stability constants of gadolinium(III) complexes and satisfactory results were obtained.

Branched crystal morphology of linear polyethylene crystallized in a two-dimensional diffusion-controlled growth field

The branched crystal morphology of linear polyethylene formed at various temperatures from thin films has been studied by atomic-force microscopy (AFM), transmission electron microscopy (TEM), electron diffraction (ED) pattern and polymer decoration technique. Two types of branched patterns, i.e. dendrite and seaweed patterns, have been visualized. The fractal dimension d(f) = 1.65 of both dendrite and some of seaweed patterns was obtained by using the box-counting method, although most of the seaweed patterns are compact. Selected-area ED patterns indicate that the fold stems tilt about 34.5degrees around the b-axis and polymer decoration patterns show that the chain folding direction and regularity in two (200). regions are quite different from each other. Because of chain tilting, branched crystals show three striking features: 1) the lamella-like branches show two (200) regions with different thickness; 2) the crystals usually bend towards the thin region; 3) the thick region grows faster by developing branches, thus branches usually occur outside the thick region. The branched patterns show a characteristic width w, which gives a linear relationship with the crystallization temperature on a semilogarithmic plot.

Correlation analysis of the structures and pK(a) values of carboxylic acids

The quantum-chemical descriptors were used for QSPR study of the structures of carboxylic acids and their pK(a) values. The algorithm of "Leaps and Bounds" regression was performed for selection of the variables. The CoMFA method was carried out for 3D-QSPR. As the introduction of the charge of oxygen atom(Q(2)), the results obtained by CoMFA were improved greatly.

Structure-activity relationships for antiplasmodial activity among aminoquinolines

The extended gravitational index G(Q) and quantum-chemical descriptors were calculated for the relationship analysis of aminoquinolines. An evolutionary algorithm was described for variable selection and building QSAR models. And the quasi-newton neural networks were employed with better results.

Comparison of different methods for variable selection

In chemistry for chemical analysis of a multi-component sample or quantitative structure-activity/property relationship (QSAR/QSPR) studies, variable selection is a key step. In this study, comparisons between different methods were performed. These methods include three classical methods such as forward selection, backward elimination and stepwise regression; orthogonal descriptors; leaps-and-bounds regression and genetic algorithm. Thirty-five nitrobenzenes were taken as the data set. From these structures quantum chemical parameters, topological indices and indicator variable were extracted as the descriptors for the comparisons of variable selections. The interesting results have been obtained. (C) 2001 Elsevier Science B.V. All rights reserved.

Prediction of C-13-nuclear magnetic resonance chemical shifts for aliphatic amines

Prediction of C-13-nuclear magnetic resonance chemical shifts for aliphatic amines is performed. The topological, geological and electronic descriptors are generated. To reduce the variables, the best subsets of the descriptors are obtained by using leaps-and-bounds regression analysis. The model is achieved using multiple regression with satisfactory results.

SURFACE FRACTALS IN BLOCK-COPOLYMERS

A surface fractal model was presented to describe the interface in block copolymers. It gives a simple power-law relationship between the scattering intensity I(q) and the wave vector q in a relatively wide range as qxi >> 1, I(q) is-proportional-to q(D-6

高分子混合体系相分离过程相结构的自相似与分形

本工作用激光光散射和光学显微镜手段研究了聚甲基丙烯酸甲醋(PMMA)和聚醋酸乙烯酯[PVAc]共混体系相分离过程。结果表明系统的相态结构呈现较强的自相似,结构函数在大波矢处具有q~(-6)的渐近行为,相结构具有分形特征,其分形维数[Fractal Dimension]D约为1,64,初步认为结构函数的标度[Scaling]行为是由于相结构的分形特征所致。

小波变换理论应用进展

本文介绍了小波变换理论 ,讨论了基本小波函数的选取准则和小波变换算法 ,分析了小波变换与人工智能等其它方法的结合方式和特点 .通过介绍小波变换在信号瞬态分析、图像边沿检测、图像去噪、模式识别、数据压缩、分形信号分析等方面的应用实例 ,讨论了小波变换在处理非平稳信号和复杂图像时的优势 .最后 ,对小波变换理论的发展及其应用前景作了描述 .

一种基于改进LLE方法的传感器故障诊断方法研究

针对非线性系统传感器故障诊断难以解决的问题,提出了一种新的基于局部嵌入映射(LLE)的方法,解决了非线性数据的特征映射问题。首先,改进了基于分形维估计的内在维数的估计,通过线性拟合解决了线性区域的自动确定。然后,将故障状态与空间分布结合起来,通过确定数据点在空间超球内的分布完成故障的检测,在这个过程中将超球的确定与LLE算法中基于核函数的样本外数据扩展结合起来,大大减少了计算量,提高了算法的实时性,从而为复杂非线性传感器的故障诊断提供了一种新的有效的方法。

投资时间序列的混沌分维研究

以某市固定资产投资同比增长数据为根据 ,利用混沌动力学中的相空间重构技术、幅值谱分析、庞加莱截面等方法进行分析 ,并计算其关联分维 ,得出其饱和嵌入维数为 5、关联分维约为 1 7,初步确定某市固定资产投资增长过程具有混沌特性 ,有 5个因素影响着某市固定资产投资的同比增长幅度 ,其中 2个因素起决定作用·该法可用于复杂的经济系统的分析研究·

动态系统结构与分形公司

传统的静态企业结构不能适应快速变化的环境，企业需要可以快速重构的动态结构，以内部变化来适应外部变化。系统的构成单元应该具有决策智能、自组织、协商合作和自治能力。本文研究了企业动态结构的需求与特点，同时介绍了分形公司的动态结构思想。

分形公司概念及理论

在世纪之交，市场环境动荡变化，全球各国纷纷研究和探索“新的制造模式”，提出了种种新思想，如敏捷制造、仿生制造和分形公司等．本文对分形公司的基本概念、结构和设计方法进行了介绍和探讨。

海拉尔盆地贝尔凹陷基岩潜山特征及储层预测

The lithology of the buried hill of Triassic Budate group in Beier depression is epimetamorphic clastic rock and volcanic clastic rock stratum. Recently the favorable hydrocarbon show was discovered in buried hill of base rock, and large-duty industrial oil stream was obtained in some wells in Beier depression. Based on the information of seismos and wells, the tectonic framework, tectonic deformation times and faulted system of the Beier depression are comprehensively studied, then configuration, evolutional history, genetic type and distributed regularity of buried hill are defined. According to observing description and analysis of core sample, well logging and interpretive result of FMI, the lithological component, diagenetic type and diagenetic sequence of buried hill reservoir are confirmed, then reservoir space system of buried hill is distinguished, and vegetal feature, genetic mechanism and distributed regularity of buried hill fissure are researched, at the same time the quantitative relationship is build up between core fissures and fissures interpreted by FMI. After that fundamental supervisory action of fault is defined to the vegetal degree of fissure, and the fissure beneficial places are forecasted using fractal theory and approach. At last the beneficial areas of Budate group reservoir are forecasted by reservoir appraisal parameters optimization such as multivariate gradually regression analysis et. al. and reservoir comprehensive appraisal method such as weighing analyze and clustering procedure et. al. which can provide foundation for the next exploratory disposition. Such production and knowledge are obtained in this text as those: 1. Four structural layers and two faulting systems are developed, and four structural layers are carved up by three bed succession boundary surfaces which creates three tectonic distortional times homology. Three types of buried hill are divided, they are ancient physiognomy buried hill, epigenetic buried hill, and contemporaneous buried hill. 2. Reservoir space of Budate buried hill is mainly secondary pore space and fissure, which distributes near the unconformity and/or inside buried hill in sections. The buried hill reservoir experienced multi-type and multi-stage diagenetic reconstruction, which led to the original porosity disappeared, and multi secondary porosity was created by dissolution, superficial clastation and cataclasis et. al. in diagenetic stage, which including middle crystal pore, inter crystal pore, moldic pore, inter particle emposieu, corrosion pore space and fissure et. al. which improved distinctly reservoir capability of buried hill. 3. The inner reservoir of buried hill in Beier depression is not stratigraphic bedded construction, but is fissure developing place formed by inner fault and broken lithogenetic belt. The fissures in inner reservoir of buried hill are developed unequally with many fissure types, which mainly are high angle fissure and dictyonal fissures and its developing degree and distribution is chiefly controlled by faulting. 4. The results of reservoir comprehensive evaluate and reservoir predicting indicates that advantageous areas of reservoir of buried hill chiefly distributes in Sudeerte, Beixi and Huoduomoer, which comprehensive evaluate mainly Ⅱand Ⅲ type reservoir. The clues and results of this text have directive significance for understanding the hydrocarbon reservoir condition of buried hill in Beier depression, for studying hydrocarbon accumulated mechanism and distributed regularity, and for guiding oil and gas exploration. The results of this text also can enrich and improve nonmarine hydrocarbon accumulated theory.