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

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.

多代理技术在船体装配CAPP系统的应用

本文介绍了多代理技术在船体装配 CAPP系统中应用 .包括 :船体装配 CAPP系统的结构 ,Agent之间的通讯 ,Agent表达方法、提供的函数功能描述 ,以及各工艺代理的功能描述和封装实例 ;采用多代理技术的船体装配 CAPP系统可以生成满足工厂要求的装配工艺文件、工艺定额和材料定额

电离层胶片频高图数字化转换与分析研究

The ionogram acquired with the ionospheric vertical sounding method is the oldest data in the history of ionospheric research. Using of modern microelectronics and computer technology to digitalize, analyse and preserve the huge amount of historical film ionogram has become more and more important and urgent. This paper introduced the progress of the film ionogram digitalization by using digital image processing technologies to correct and repair film ionogram and convert them in an exchangeable format. An analysis and conversion software, basing on this method, has been developed for the film ionogram analysis, and then it introduces the application of this software by combining the SAO Explorer program for Wuhan film ionogram and pseudo-color ionogram in Yamagawa in Japan. It shows that our method is reliable，and the developed software is used friendly and provides a positive solution in digitalization and analysis of huge amount of historical film ionogram. Firstly, we briefly introduce the film ionogram and the process of its digitalization. By observing a amount of film ionogram, we obtain some common characteristics of the digitalized film ionogram following as: (1) the image rotation are caused by scanning; (2) the vertical axis of a large number of film ionogram exist more or less tilt and bending ; (3) coordinates of the film ionogram appear the non-uniformity phenomena result from the instability of driving motor rotation and the error of altitudinal cursor orientation. Moreover, based on the characteristics of the film ionogram and the SAO Explorer software which is widely used for the digital ionogram analysis in the world, a new method has been developed for film ionogram procession. The method contains the image geometric correction and film ionogram format conversion. The image geometric correction includes such as image rotation correction, vertical correction and coordinates scale correction. After geometric correction, the BMP file format images will be converted to the SBF file format images. Then, we also discuss the data format converting methods, which include two methods of the image data mapping basing on the normalization and logarithm, and the method of the preprocessing of the noise filtering and the threshold setting. Combining with SAO Explorer software, we successfully obtain ionospheric parameters and electron profile from the converted SBF file format digital ionograms. Based on the above method, we developed the software for the film ionogram to realize its correction analysis and conversion of the image format, and then give a introduction for its function and operation. Subsequently, the software are applied into the Wuhan film ionogram which separately observed in the high solar activity year and the low in 1980s last century. The results reveal the converted SBF digital ionogram almost preserve the all echo information of the film ionogram. Furthermore, we expressly discuss the application to the Wuhan film ionogram in 1958 in order to validate the applicability and credibility of the software. And it is showed that the important information of the film ionogram are maintained into the SBF digital ionogram. It is represented that there is credibility for conversion of the software when it applied in the older film ionogram. In sum, this software could apply to the digitalization and analysis of huge amount of historical film ionogram. Last, we extended the function of the software by bring some new conversion method and used it to apply to the pseudo-color ionogram of yamagawa in Japan. The results show that the converted ionogram information basically maintain the importantly ionogram information and the error of scaling of converted SBF file format image is almost acceptable, though there is no preprocessing for the original ionogram. Hence, we could extend the applicable range of the software and apply it to all kinds of simulative ionogram imaging by improving the method and software.

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.