Study on effect of Gd (III) speciation on Ca (II) speciation in human blood plasma by computer simulation

Ca (II) speciation and effect of Gd (III) speciation on Ca (II) speciation in human blood plasma were studied by computer simulation. [CaHCO3](-) is a predominant compound species of Ca (II). Gd (III) can compete with Ca (II) for biological molecules. The presence of Gd (III) results in a increase of concentration of free Ca (II) and a decrease of concentration of Ca (II) compounds.

Computer perception of topological symmetry by all-paths algorithm

During the development of our ESESOC system (Expert System for the Elucidation of the Structures of Organic Compounds), computer perception of topological symmetry is essential in searching for the canonical description of a molecular structure, removing the irredundant connections in the structure generation process, and specifying the number of peaks in C-13- and H-1-NMR spectra in the structure evaluation process. In the present paper, a new path identifier is introduced and an algorithm for detection of topological symmetry from a connection table is developed by the all-paths method. (C) 1999 Elsevier Science B.V. All rights reserved.

Structure and Conformation of 2,3,6, 7,10,11-hexakispentyloxytriphenylene by TEM and Computer Simulation

Experimental electron diffraction patterns and high resolution images were used to determine the space group and unit cell dimensions of 2,3,6,7,10,11-hexakispentyloxytriphenylene. Subsequently the molecular conformation was calculated by energy minimized package in Cerius2. Using this method, we got the HPT crystal structure: space group: P6/mmm; lattice type: hexogonal; the lattice parameters are a = b = 20.3 angstrom, c = 3.52 angstrom, = = 90 degrees, = 120 degrees. The core of HPT is not perpendicular to the column. The angle between a axis and HPT core plane is 9 degrees which cannot be seen in b-c projection. The simulated ED patterns and HREM images are good agreement with the experimental ED patterns and HREM images.

Study on computer perception of topological symmetry

A new algorithm for computer perception of topological symmetry is proposed. A node library containing various kinds of nodes is built, and the index number of the library is used as initial atom class identifier (CI) to discriminate the different types of non-hydrogen atoms. The path index (PI) and ringindex (RI) are calculated from the CI, and the global topological enviroment is defined as the sum of PIs and RIs. The topological symmetry can be detected by the iterative calculation of the global topological enviroment.

ALGORITHM FOR COMPUTER PERCEPTION OF TOPOLOGICAL SYMMETRY

For the exhaustive and irredundant generation of candidate structures in ESESOC (Expert System for the Elucidation of the Structures of Organic Compounds), a new algorithm for computer perception of topological equivalence classes of the nodes (non-hydrog

Behavioral responses of tilapia (Oreochromis niloticus) to acute fluctuations in dissolved oxygen levels as monitored by computer vision

Behavioral and ventilatory parameters have the possibility of predicting the stress state of fish in vivo and in situ. This paper presents a new image-processing algorithm for quantifying the average swimming speed of a fish school in an aquarium. This method is based on the alteration in projected area caused by the movement of individual fish during frame sequences captured at given time intervals. The image enhancement method increases the contrast between fish and background, and is thus suitable for use in turbid aquaculture water. Behavioral parameters (swimming activity and distribution parameters) and changes in ventilation frequency (VF) of tilapia (Oreochromis niloticus) responded to acute fluctuations in dissolved oxygen (DO) which were monitored continuously in the course of normoxia, falling DO level, maintenance of hypoxia (three levels of 1.5, 0.8 and 0.3 mg l(-1)) and subsequent recovery to normoxia. These parameters responded sensitively to acute variations in DO level; they displayed significant changes (P < 0.05) during severe hypoxia (0.8 and 0.3 mg l(-1) level) compared with normoxic condition, but there was no significant difference under conditions of mild hypoxia (1.5 mg l(-1) level). There was no significant difference in VF between two levels of severe hypoxia 0.8 and 0.3 mg l(-1) level during the low DO condition. The activity and distribution parameters displayed distinguishable differences between the 0.8 and 0.3 mg l(-1) levels. The behavioral parameters are thus capable of distinguishing between different degrees of severe hypoxia, though there were relatively large fluctuations. (c) 2006 Elsevier B.V. All rights reserved.

Use of computer-assisted sperm analysis (CASA) to evaluate the quality of cryopreserved sperm in red seabream (Pagrus major)

In the present study, the quality of post-thaw sperm of red seabream Pagrus major frozen with 6-24% DMSO was investigated. The motility, average path velocity and fertilizing capacity of fresh and their corresponding post-thaw sperm were examined for evaluation of the post-thaw sperm motion characteristics and its association with fertilizing capacity. An analysis of sperm motility before and after cryopreservation has been performed using computer-assisted sperm analysis (CASA). For post-thaw sperm frozen with 12-21% DMSO, the percentages of motile sperm were not significantly (P > 0.05) changed 10 s after activation. Moreover, the main motility pattern and swimming velocity of the motile post-thaw sperm were not significantly (P > 0.05) changed and the progressive linear motion was still the dominant pattern. However, the total motility of post-thaw sperm (72.3 +/- 6.3%) 30 s after activation was (P < 0.05) lower than the corresponding fresh sperm (82.7 +/- 7.2%). Additionally, the fertilizing capacity of post-thaw sperm was investigated with a standardized sperm to egg ratio 500:1. There is a linear regression relationship between the percentage of motile post-thaw sperm and fertilizing capability. These data demonstrate that 12-21% DMSO can provide good protection to the sperm during the freezing-thawing process. (c) 2006 Elsevier B.V. All rights reserved.

工业机器人机械手的小脑模型自适应控制

本文为动力学控制工业机器人机械手提出一种综合控制算法。该控制算法,利用小脑模型算术计算机模块模拟机器人机械手的动力学方程并计算实现期望运动所需力矩作为前馈力矩控制项;利用自适应控制器实现反馈控制,以消除由输入扰动和参数变化而引起的机器人机械手运动误差。这种控制方法在时间上是有效的,且很适合于定点实现。控制方法的有效性通过四自由度的直接驱动机器人前两个关节的计算机仿真实验得到验证。

基于CAN总线的分布式数据采集与控制系统

随着电子技术和计算机技术的不断发展，工业生产过程的控制系统正在向着智能化、数字化和网络化的方向发展。传统的集散控制方式和计算机分层控制方式已经开始让位于智能终端与网络结合的总线网络控制方式。当今，在工厂中过程控制环境下的分布式自动化系统变得越来越复杂，尤其系统内部的各设备之间需要快速交换大量的信息，以便实现对被控系统更为精确的控制和提供一些辅助的评价函数。这就意味着要不断增加带宽和提高通信速率以满足网络通信的需要。在现有的多种可利用网络设备中，CAN总线以其清晰的定义、极高的可靠性及其独特的设计，被认为是最能有效地解决这一问题的途径之一。而且市场上基于通信技术的产品中，就实时性考虑，由于CAN总线采用的非表意性的通信方式，因此其结构更为简单，实时性更好。基于此背景，我们以CAN总线作为通信媒介，将分布于各控制现场的传感器、执行器和控制器有序地连接起来，构成了一个基于CAN总线的分布式局域网络控制系统。本文首先介绍了基于CAN总线的分布式数据采集与控制系统的总体结构。然后从硬件方面描述了基于CAN总线的通信协议转换单元、数据采集单元和输出控制单元的功能、硬件配置及各单元功能的具体实现过程，给出了各单元的性能指标。软件方面，以C语言作为平台，开发了基于CAN总线的上位计算机管理与监控软件，实现了对整个网络设备的系统管理和系统控制功能。对于该总线系统，作者运用了PID控制和模糊控制算法实现了对水箱液位的控制，达到了理想的效果。基于CAN总线的控制系统很好地解决了集散控制系统难以解决的难题，模糊控制的应用能很好地把总线控制系统应用到具有非线性、大时滞和难于获得精确模型的控制系统中。

流动单元四维模型和剩余油预测以濮城油田为例

This study is aimed to reveal macroscopic and microscopic anisotropism by using new theories, new methods and new technology. In order to reveal the forming mechanism and distribution pattern of remaining oil, flow units 4-dimension model and realistic model was established according the data over 20 years development of the Pucheng Oil field. Based on theories of multi-discipline subject, methods and technologies, by using correspondent 4-D data body and computer, combining quantity and quality study, static and development data, macroscopic and microscopic data, the two different geneses' reservoir, eg., braided delta and lake delta, are studied. The two different geneses' reservoir flow units models were established. Main achievement of this thesis are summarized as following: The standard of parameter optimization, identification and appreciation of two different geneses' reservoir were established. Based on the standard, the reservoir were classed into four flow units class as G,E,F and P. The flow unit static models of two different geneses' reservoir were established, and the relation of geometric shape, space distribution and macroscopic remaining oil was revealed. the flow units microscopic model were established, which tells that the changes of all the microscopic factor in the development. (4) Accordig BP arithmetic method, an adapt arithmetic method were designed, and the reservoir flow units were simulated based on the new method. (5) Reservoir realistic model of flow unit were established. Based on the model the microscopic development is simulated, which reveals the oil and water seepage in the reservoir and the mechanism of the microscopic oil formation. (6) The spatial residual oil distribution patterns were summarized. The remaided oil is mainly in the places as not being affected by the injected water, high part of the structures and the place near the sealed faults. There are 3 kinds and 9 distribution modes of microscopic remaining oil. The forming mechanism and distribution rule were pointed out. The study has developed a set of theories, technology and methods for flow units study, including flow units description, characterization and prediction. The study is also an improvement of the development geology theory in continental fault depression lake basin.

Computer-assisted automatic peak recognition and result evaluation for analysis of chlorinated hydrocarbons in environmental samples

A data manipulation method has been developed for automatic peak recognition and result evaluation in the analysis of organic chlorinated hydrocarbons with dual-column gas chromatography. Based on the retention times of two internal standards, pentachlorotoluene and decachlorobiphenyl, the retention times of chlorinated hydrocarbons can be calibrated automatically and accurately. It is very convenient to identify the peaks by comparing the retention times of samples with the calibrated retention times calculated from the relative retention indices of standards. Meanwhile, with a suggested two-step evaluation method the evaluation coefficients and the suitable quantitative results of each component can be automatically achieved for practical samples in an analytical system using two columns with different polarities and two internal standards. (C) 2002 Elsevier Science B.V. All rights reserved.