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.

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.

相同知识背景下技能之间迁移机制的研究

Since the middle of 1980's, the mechanisms of transfer of training between cognitive subskills rest on the same body of declarative knowledge has been highly concerned. The dominant theory is theory of common element (Singley & Anderson, 1989) which predict that there will be little or no transfer between subskills within the same domain when knowledge is used in different ways, even though the subskills might rest on a common body of declarative knowledge. This idea is termed as "principle of use specificity of knowledge" (Anderson, 1987). Although this principle has gained some empirical evidence from different domains such as elementary geometry (Neves & Anderson, 1981) and computer programming (McKendree & Anderson, 1987), it is challenged by some research (Pennington et al., 1991; 1995) in which substantially larger amounts of transfer of training was found between substills that rest on a shared declarative knowledge but share little procedures (production rules). Pennington et al. (1995) provided evidence that this larger amounts of transfer are due to the elaboration of declarative knowledge. Our research provide a test of these two different explanation, by considering transfer between two subskills within the domain of elementary geometry and elementary algebra respectively, and the inference of learning method ("learning from examples" and "learning from declarative-text") and subject ability (high, middle, low) on the amounts of transfer. Within the domain of elementary geometry, the two subskills of generating proofs" (GP) and "explaining proofs" (EP) which are rest on the declarative knowledge of "theorems on the characters of parallelogram" share little procedures. Within the domain of elementary algebra, the two subskills of "calculation" (C) and "simplification" (S) which are rest on the declarative knowledge of "multiplication of radical" share some more procedures. The results demonstrate that: 1. Within the domain of elementary geometry, although little transfer was found between the two subskills of GP and EP within the total subjects, different results occurred when considering the factor of subject's ability. Within the high level subjects, significant positive transfer was found from EP to GP, while little transfer was found on the opposite direction (i. e. from GP to EP). Within the low level subjects, significant positive transfer was found from EP to GP, while significant negative transfer was found on the opposite direction. For the middle level subject, little transfer was found between the two subskills. 2. Within the domain of elementary algebra, significant positive transfer was found from S to C, while significant negative transfer was found on the opposite direction (i. e. from C to S), when considering the total subjects. The same pattern of transfer occurred within the middle level subjects and low level subject. Within the high level subjects, no transfer was found between the two subskills. 3. Within theses two domains, different learning methods yield little influence on transfer of training between subskills. Apparently, these results can not be attributed to either common procedures or elaboration of declarative knowledge. A kind of synthetic inspection is essential to construct a reasonable explanation of these results which should take into account the following three elements: (1) relations between the procedures of subskills; (2) elaboration of declarative knowledge; (3) elaboration of procedural knowledge. 排Excluding the factor of subject, transfer of training between subskills can be predicted and explained by analyzing the relations between the procedures of two subskills. However, when considering some certain subjects, the explanation of transfer of training between subskills must include subjects' elaboration of declarative knowledge and procedural knowledge, especially the influence of the elaboration on performing the other subskill. The fact that different learning methods yield little influence on transfer of training between subskills can be explained by the fact that these two methods did not effect the level of declarative knowledge. Protocol analysis provided evidence to support these hypothesis. From this research, we conclude that in order to expound the mechanisms of transfer of training between cognitive subskills rest on the same body of declarative knowledge, three elements must be considered synthetically which include: (1) relations between the procedures of subskills; (2) elaboration of declarative knowledge; (3) elaboration of procedural knowledge.