Study on speciation of Pr(III) in human blood plasma by computer simulation

Speciation of Pr(III) in human blood plasma has been investigated by computer simulation. The speciation and distribution of Pr(III) has been obtained. It has been found that most of Pr(III) is bound to phosphate and to form precipitate. The results obtained-are in accord with experimental observations.

Studies on insoluble species of Gd (III) in human blood plasma by computer simulation

The insoluble species of Gd (III) in human blood plasma were investigated by computer simulation. The distribution of the Gd (I) species was obtained. It was found that most of the Gd (III) ions were bound to phosphate to form precipitate GdPO4 at the concentration of 1. 000 x 10(-7) mol/L and when the concentration of the Gd (III) increased to 3. 750 x 10(-4) mol/L, in excess of the concentration of phosphate, the Gd (III) ions were bound to carbonate to form another kind of precipitate, Gd-2 (CO3)(3).

Tb(III) speciation in human blood plasma by computer simulation

A multi-phase model was developed and Tb(III) speciation in human blood plasma was studied. At a concentration below 3.744x 10(-4) mol/L (or at the concentration), Tb(III) is mostly bound to phosphate to form precipitate of TbPO4. As the concentration of Tb(III) increases, phosphate is exceeded and another kind of precipitate of Tb-2(CO3)(3) appears. Among soluble Tb(III) species, Tb(III) mainly distribute in [Tb (Tf)] at low concentration and in [Tb (HSAA, [Tb-2 (Tf)], [Th (IgG)], [Tb (Lactate)](2+), [Tb (CitArgH)] and free Tb(III) at high concentration.

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

AN EXPERT SYSTEM FOR SOLVENT-EXTRACTION OF RARE-EARTHS

An expert system for solvent extraction of rare earths has been developed using LISP. The goal of this project was to mimic the chemists' inferential abilities to assist in the process of solvent extraction of rare earths. The system includes frequently used extractants, separation of specific rare earths, recommendation of procedures for the separation of mixtures of rare earths using (2-ethylhexyl)phosphonic acid 2-ethylhexyl monoester, selection of parameters for counter-current extraction and methods for evaluation of the technique, and the economics of the processing. The expert system runs on an IBM-PC/XT.

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.

森林资源模型仿真研究

A dynamic model is built up by means of system dynamics method for the development offorest resources in Liaoning province.Prediction and strategy research are made for the fo-rest ecology and timber production in 2000 in Liaoning.The impactions of various designson the development of forest resources are understood by adjusting different parameters andadding disturbances to the model.Various parameters are determined according to the dataprovided by Land Dept.and Forestry Dept.of Liaoning province,the data of provincialforest statistics in 1978 is taken as the original values for running model,which is perfor-med on IBM PC/X7 computer in DYNAMO language of system dynamics.

数控自动编程专家系统

本文简要地介绍了数控自动编程专家系统.其中包括:专家系统知识表示的形式;分层次的黑板结构;前向推理求解策略和相应的解释功能;系统针对不同类型的曲线组合,采用不同的独立的知识源(KS)进行处理.由于在知识的处理上采用编码技术,在前向推理求解策略中使用启发信息和“剪技”技术,提高了系统的时空效率.系统中的规划程序能自动规划切削路径.输出供数控车床使用的 NC 代码,并可在显示屏上进行图形显示和切削仿真.目前原型系统已经在 IBM-PC 和 Sun3/60计算机上利用FORTRAN 语言实现.

波动方程叠前深度偏移辛算法及速度建模

On 70~(th) SEG Annual meeting, many author have announced their result on the wave equation prestack depth migration. The methods of the wave-field imaging base on wave equation becomes mature and the main direction of seismic imaging. The direction of imaging the complex media has been the main one of the projects that the national "85" and "95" reservoir geophysics key projects and "Knowledge innovation key project of Chinese Academy of Science" have been supported. Furthermore, we began the study for special oil field situation of our nation with the international research groups. Under the background, the author combined the thoughts of symplectic with wave equation pre-stack depth migration, and develops and efficient wave equation pre-stack depth migration method. The purpose of this work is to find out a way to imaging the complex geological goals of Chinese oilfields and form a procedure of seismic data processing. The paper gives the approximation of one way wave equation operator, and shows the numerical results. The comparisons have been made between split-step phase method, Kirchhoff and Ray+FD methods on the pulse response, simple model and Marmousi model. The results shows that the method in this paper has an higher accuracy. Four field data examples have also be given in this paper. The results of field data demonstrate that the method can be usable. The velocity estimation is an important part of the wave equation pre-stack depth migration. A parallel velocity estimation program has been written and tested on the Beowulf clusters. The program can establish a velocity profile automatically. An example on Marmousi model has shown in the third part of the paper to demonstrate the method. Another field data was also given in the paper. Beowulf cluster is the converge of the high performance computer architecture. Today, Beowulf Cluster is a good choice for institutes and small companies to finish their task. The paper gives some comparison results the computation of the wave equation pre-stack migration on Beowulf cluster, IBM-SP2 (24 nodes) in Daqing and Shuguang 3000, and the comparison of their prize. The results show that the Beowulf cluster is an efficient way to finish the large amount computation of the wave equation pre-stack depth migration, especially for 3D.

辛格式波动方程叠前深度偏移及速度建模

On 70~(th) SEG Annual meeting, many author have announced their result on the wave equation pre-stack depth migration. The methods of the wave-field imaging base on wave equation becomes mature and the main direction of seismic imaging. The direction of imaging the complex media has been the main one of the projects that the national "85" and "95" reservoir geophysics key projects and "Knowledge innovation key project of Chinese Academy of Science" have been supported. Furthermore, we began the study for special oil field situation of our nation with the international research groups. Under the background, the author combined the thoughts of symplectic with wave equation pre-stack depth migration, and develops and efficient wave equation pre-stack depth migration method. The purpose of this work is to find out a way to imaging the complex geological goals of Chinese oilfields and form a procedure of seismic data processing. The paper gives the approximation of one way wave equation operator, and shows the numerical results. The comparisons have been made between split-step phase method, Kirchhoff and Ray+FD methods on the pulse response, simple model and Marmousi model. The result shows that the method in this paper has an higher accuracy. Four field data examples have also be given in this paper. The results of field data demonstrate that the method can be usable. The velocity estimation is an important part of the wave equation pre-stack depth migration. A. parallel velocity estimation program has been written and tested on the Beowulf clusters. The program can establish a velocity profile automatically. An example on Marmousi model has shown in the third part of the paper to demonstrate the method. Another field data was also given in the paper. Beowulf cluster is the converge of the high performance computer architecture. Today, Beowulf Cluster is a good choice for institutes and small companies to finish their task. The paper gives some comparison results the computation of the wave equation pre-stack migration on Beowulf cluster, IBM-SP2 (24 nodes) in Daqing and Shuguang3000, and the comparison of their prize. The results show that the Beowulf cluster is an efficient way to finish the large amount computation of the wave equation pre-stack depth migration, especially for 3D.