Development of models for prediction of the antioxidant activity of derivatives of natural compounds

Antioxidants are important for maintaining the appropriate balance between oxidizing and reducing species in the body and thus preventing oxidative stress. Many natural compounds are being screened for their possible antioxidant activity. It was found that a mushroom pigment Norbadione A, which is a pulvinic acid derivative, shows an antioxidant activity; the same was found for other pulvinic acid derivatives and structurally related coumarines. Based on the results of in vitro studies performed on these compounds as a part of this study quantitative structure–activity relationship (QSAR) predictive models were constructed using multiple linear regression, counter-propagation artificial neural networks and support vector regression (SVR). The models have been developed in accordance with current QSAR guidelines, including the assessment of the models applicability domains. A new approach for the graphical evaluation of the applicability domain for SVR models is suggested. The developed models show sufficient predictive abilities for the screening of virtual libraries for new potential antioxidants.     

Exploiting the performance of dictionary-based bio-entity name recognition in biomedical literature

Bio-entity name recognition is the key step for information extraction from biomedical literature. This paper presents a dictionary-based bio-entity name recognition approach. The approach expands the bio-entity name dictionary via the Abbreviation Definitions identifying algorithm, improves the recall rate through the improved edit distance algorithm and adopts some post-processing methods including Pre-keyword and Post-keyword expansion, Part of Speech expansion, merge of adjacent bio-entity names and the exploitation of the contextual cues to further improve the performance. Experiment results show that with this approach even an internal dictionary-based system could achieve a fairly good performance.     

基于圆微带天线阵的射频涡旋电磁波的产生

射频涡旋电磁波等相位面呈涡旋状,是一种携有新自由度-轨道角动量的电磁波。在轨道角动量模式理论分析的基础上,提出了在中心频率6 GHz处产生携有轨道角动量的涡旋电磁波的一种圆微带天线阵新结构,设计了以双层圆形微带天线为阵元组成的圆形阵列天线,通过控制馈源的相位差,得到模式量子数为0,1,2, 3, 4的轨道角动量。仿真结果表明：携轨道角动量的电磁波矢量电场图具有涡旋波阵面的特性,合适的阵列半径和馈线排列分布将产生携有良好轨道角动量特性的涡旋电磁波,而不当的阵列半径或馈线排列分布将出现能量的分散或者相互耦合的问题。     

Dissipative structures formed in the course of drying the colloidal crystals of silica spheres on a cover glass

Macroscopic and microscopic dissipative structural patterns formed in the course of drying the deionized aqueous colloidal crystal suspensions of silica spheres (diameter: 103 nm) on a cover glass have been observed. Spoke-like and ring-like patterns are formed in the macroscopic scale; the former is the crack in the sphere film and the latter is the hill accumulated with spheres formed around the outside edge. The neighbored inter-spoke angle, thickness of the film, and other morphological parameters have been discussed as a function of sphere concentration, concentration of sodium chloride, and the inclined angle of the cover glass. Fractal patterns of the mud cracks are observed in the microscopic scale. Capillary forces between spheres at the air-liquid surface and the relative rates between the water flow at the drying front and the convection flow of spheres are important for the pattern formation. Electronic Publication     

Decomposition algorithms for the tree edit distance problem

We study the behavior of dynamic programming methods for the tree edit distance problem, such as [P. Klein, Computing the edit-distance between unrooted ordered trees, in: Proceedings of 6th European Symposium on Algorithms, 1998, p. 91–102; K. Zhang, D. Shasha, SIAM J. Comput. 18 (6) (1989) 1245–1262]. We show that those two algorithms may be described as decomposition strategies. We introduce the general framework of cover strategies, and we provide an exact characterization of the complexity of cover strategies. This analysis allows us to define a new tree edit distance algorithm, that is optimal for cover strategies.     

Bounding the sum of powers of the Laplacian eigenvalues of graphs

For a non-zero real number α, let s _α (G) denote the sum of the αth power of the non-zero Laplacian eigenvalues of a graph G. In this paper, we establish a connection between s _α (G) and the first Zagreb index in which the Hölder’s inequality plays a key role. By using this result, we present a lot of bounds of s _α (G) for a connected (molecular) graph G in terms of its number of vertices (atoms) and edges (bonds). We also present other two bounds for s _α (G) in terms of connectivity and chromatic number respectively, which generalize those results of Zhou and Trinajsti? for the Kirchhoff index [B Zhou, N Trinajsti?. A note on Kirchhoff index, Chem. Phys. Lett., 2008, 455: 120–123].     

Evaluations of initial ideals and Castelnuovo-Mumford regularity

This paper characterizes the Castelnuovo-Mumford regularity by evaluating the initial ideal with respect to the reverse lexicographic order.

     

Synthesis of CdSe and CdSe/TiO2 nanoparticles under multibubble sonoluminescence condition

CdSe and CdSe/TiO₂ nanoparticles were synthesized under multibubble sonoluminescence (MBSL) condition. The influences of TiO₂ introduced as the sensitizer on the morphology and crystal transformation were investigated. The morphology, phase and optical properties of the final products have been characterized by X-ray powder diffraction, transmission electron microscope, UV-vis absorption spectroscopy and photoluminescence spectroscopy. The results showed that as-prepared nanoparticles are well-crystallized, and the suppression of crystal pattern transition as well as the control of CdSe crystal growth can be implemented by coupling of TiO₂ semiconductor. Furthermore, the possible growth mechanism for different morphologies and crystal phases of the nanocrystals were also discussed.     

The Resonant Wave Numbers of Eccentric Ring Microstrip Antennas for All Modes

The method, connected with the concentric ring microstrip antenna and based on the perturbation , for the resonant wave numbers of eccentric ring microstrip antennas for all modes is suggested. The usefulness and accuracy of the method is shown through the comparison of the calculation used here with the measurement and other method from the reference.     

Quantitative characterization of spatiotemporal patterns II

Disorderness of spatiotemporal patterns which are obtained by nonlinear partial differential equations is characterized quantitatively. The mean Lyapunov exponent for a nonlinear partial differential equation is given. The local Lyapunov exponent which is a finite time average of the mean Lyapunov exponent is shown to have close relation to the spatiotemporal patterns. It is suggested that the systems which are described by nonlinear partial differential equations are characterized statistically through the probability distribution function of the local Lyapunov exponent.