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.

Studies on structure-property relationship between color reagents and contrast of their color reactions with cerium by topological indices

In this paper, three topological indices A(m1), A(m2) and A(m3) have been applied to multivariate analysis in structure property relationship studies. The topological indices oi fourty-three asymmetrical phosphono bisazo derivatives of chromotropic acid have been calculated, The structure-property relationship between color reagents and contrast of color reactions with cerium has been studied by A, indices and structure selective factors, Good results have been obtained.

STUDIES ON STRUCTURE-PROPERTY RELATIONSHIP BETWEEN COLOR REAGENTS AND SENSITIVITY OF THEIR COLOR-REACTIONS WITH YTTERBIUM BY TOPOLOGICAL INDEXES

In this paper A, topological indices and molecular connectivity inidces have been applied to multivariate analysis in structure-property studies. The topological indices of twenty asymmetrical phosphone bisazo derivatives of chromotropic acid have been calculated. The structure-property relationships between color reagents and molar absorptivity of color reactions with ytterbium have been studied by A(m) indices and molecular connectivity indices. Good results have been obtained.

PREDICTION OF THE GIBBS ENERGY OF ION TRANSFER ACROSS THE WATER NITROBENZENE INTERFACE USING 3 NEW TOPOLOGICAL INDEXES

Correlation analysis of the standard Gibbs energy for a series of tetraalkylammonium ions, protonated substituted ethylenediamine derivatives and protonated aromatic amine derivatives using three new topological indices Ax1, Ax2 and Ax has been studied. T

THE GENERAL AN INDEX AND ITS APPLICATION .4. THE APPLICATION OF GENERAL AN INDEX TO HYDROCARBONS

The general a(N) index (GAI) was used to characterize the cis, trans isomers of hydrocarbons. The best one-variable equations were obtained with GAI for several physicochemical properties of seven pairs of olefin cis, trans isomers. The linear correlation coefficients are in the range of 0.975 to 0.997. GAI was also compared with the other five topological indices, Randic connectivity index chi, Wiener number W, Hosoya index Z, the average distance sum connectivity J proposed by Balaban and a(N) index introduced by Yang, in correlating with the octane number (MON) of heptanes and octanes.

Refractive index and thickness analysis of natural silicon dioxide film growing on silicon with variable-angle spectroscopic ellipsometry

The refractive index and thickness of SiO2 thin films naturally grown on Si substrates were determined simultaneously within the wavelength range of 220-1100 nm with variable-angle spectroscopic ellipsometry. Different angles of incidence and wavelength ranges were chosen to enhance the analysis sensitivity for more accurate results. Several optical models describing the practical SiO2-Si system were investigated, and best results were obtained with the optical model, including an interface layer between SiO2 and Si, which proved the existence of the interface layer in this work as described in other publications.

On the topological bifurcation of flows around a rotating circular cylinder

Flow fields around a rotating circular cylinder in a uniform stream are computed using a low dimensional Galerkin method. Results show that the formation of a Fopple vortex pair behind a stationary circular cylinder is caused by the structural instability in the vicinity of the saddle located at the rear of the cylinder. For rotating cylinder a bifurcation diagram with the consideration of two parameters, Reynolds number Re and rotation parameter a, is built by a kinematic analysis of the steady flow fields.

Donut-Shaped Fingerprint In Homologous Polypeptide Relationships-A Topological Feature Related To Pathogenic Structural Changes In Conformational Disease

Features of homologous relationship of proteins can provide us a general picture of protein universe, assist protein design and analysis, and further our comprehension of the evolution of organisms. Here we carried Out a Study of the evolution Of protein molecules by investigating homologous relationships among residue segments. The motive was to identify detailed topological features of homologous relationships for short residue segments in the whole protein universe. Based on the data of a large number of non-redundant Proteins, the universe of non-membrane polypeptide was analyzed by considering both residue mutations and structural conservation. By connecting homologous segments with edges, we obtained a homologous relationship network of the whole universe of short residue segments, which we named the graph of polypeptide relationships (GPR). Since the network is extremely complicated for topological transitions, to obtain an in-depth understanding, only subgraphs composed of vital nodes of the GPR were analyzed. Such analysis of vital subgraphs of the GPR revealed a donut-shaped fingerprint. Utilization of this topological feature revealed the switch sites (where the beginning of exposure Of previously hidden "hot spots" of fibril-forming happens, in consequence a further opportunity for protein aggregation is Provided; 188-202) of the conformational conversion of the normal alpha-helix-rich prion protein PrPC to the beta-sheet-rich PrPSc that is thought to be responsible for a group of fatal neurodegenerative diseases, transmissible spongiform encephalopathies. Efforts in analyzing other proteins related to various conformational diseases are also introduced. (C) 2009 Elsevier Ltd. All rights reserved.

Negative refractive index in a four-level atomic system

We propose a scheme for realizing negative refractive index in a four-level atomic system. It is shown that such a system can simultaneously exhibit negative permittivity and negative permeability in an optical frequency range. Furthermore, by analysing the dispersion property of the left-handed material, we find that the probe beam can be controlled from superluminal to subluminal or vice versa via choosing appropriate parameters.

Phase control of switching from positive to negative index material in a four-level atomic system

Electric and magnetic responses of the medium to the probe field are analysed in a four-level loop atomic system by taking into account the relative phase of the applied fields. An interesting phenomenon is found: under suitable conditions, a change of the refractive index from positive to negative can occur by modulating the relative phase of the applied fields. Then the medium can be switched from a positive index material to a negative index material in our scheme. In addition, a negative index material can be realized in different frequency regions by adjusting the relative phase. It may give us a convenient way to obtain the desired material with positive or negative index.

Electromagnetically induced negative refractive index in a V-type four-level atomic system

We propose a scheme for realizing negative refractive index in a V-type four-level atomic system. It is shown that the negative refractive index can be achieved in a wide frequency band based on the effect of quantum coherence. It is also found that the frequency band of negative refractive index and the absorption property of left-handed material are manipulated by the pump and control fields. Furthermore, left-handed material with reduced absorption is possible by choosing appropriate parameters. (c) 2006 Elsevier B.V. All rights reserved.

Improvement of sensitivity and refractive-index changes in LiNbO3 : Ce : Cu crystals with UV light

A nonvolatile recording scheme is proposed using LiNbO3:Ce:Cu crystals and modulated UV light to record gratings simultaneously in two centres and using red light to bleach the grating in the shallow centre to realize persistent photorefractive holographic storage. Compared with the normal UV-sensitized nonvolatile holographic system, the amplitude of refractive-index changes is greatly increased and the recording sensitivity is significantly enhanced by recording with UV light in the LiNbO3:Ce:Cu crystals. Based on jointly solving the two-centre material equations and the coupled-wave equations, temporal evolutions of the photorefractive grating and the diffraction effciency are effectively described and numerically analysed. Roles of doping levels and recording-beam intensity are discussed in detail. Theoretical results confirm and predict experimental results.

Improvement in refractive-index change in LiNbO3 : Ce : Cu by applying an external electric field

By jointly solving two-centre material equations with a nonzero external electric field and coupled-wave equations, we have numerically studied the dependence of the non-volatile holographic recording in LiNbO3:Ce:Cu crystals on the external electric field. The dominative photovoltaic effect of the non-volatile holographic recording in doubly doped LiNbO3 crystals is directly verified. And an external electric field that is applied in the positive direction along the c-axis (or a large one in the negative direction of the c-axis) in the recording phase and another one that is applied in the negative direction of the c-axis in the fixing phase are both proved to benefit strong photorefractive performances. Experimental verifications are given with a small electric field applied externally.

Refractive-index change and sensitivity improvement in holographic recording in LiNbO3:Ce:Cu crystals with green light

Nonvolatile holographic recording is performed with green light in LiNbO3:Ce:Cu crystals. The refractive-index change and the recording sensitivity are times better than those obtained by recording with red light, and higher optical fixing efficiency is obtained. Correspondingly, theoretical investigations are given.

Approximate analytical description for fundamental-mode fields of graded-index fibers: Beyond the Gaussian approximation

An approximate analytical description for fundamental-mode fields of graded-index fibers is explicitly presented by use of the power-series expansion method, the maximum-value condition at the fiber axis, the decay properties of fundamental-mode fields at large distance from the fiber axis, and the approximate modal parameters U obtained from the Gaussian approximation. This analytical description is much more accurate than the Gaussian approximation and at the same time keep the simplicity of the latter. As two special examples, we present the approximate analytical formulas for the fundamental-mode fields of a step profile fiber and a Gaussian profile fiber, and we find that they are both highly accurate in the single-mode range by comparing them with the corresponding exact solutions.