STUDY ON STRUCTURE-ACTIVITY-RELATIONSHIPS OF ORGANIC-COMPOUNDS - 3 NEW TOPOLOGICAL INDEXES AND THEIR APPLICATIONS

In this paper, three new topological indices, A(x1), A(x2), and A(x3), have been developed for use in multivariate analysis in structure-property relationship (SPR) and structure-activity relationship (SAR) studies. Good results have been obtained by using them to predict the physical and chemical properties and biological activities of some organic compounds.

A NEW TOPOLOGICAL INDEX FOR RESEARCH ON STRUCTURE-PROPERTY RELATIONSHIPS OF ALKANES

in this Raper, based on distance matrix and branch vertex of atomes in a molecule, a new topological index (Y(x)) has been developed to be used in research on physical and chemical properties of alkanes. It is concluded that this index bears good structure selectivity and relativity when the results from index were compared with that of other ones.

A NEWLY PROPOSED MOLECULAR TOPOLOGICAL INDEX FOR THE DISCRIMINATION OF CIS/TRANS ISOMERS AND FOR THE STUDIES OF QSAR/QSPR

A new topological index, the general a(N)-index (GAI), on quantum chemistry, is described in this paper. The GAI can be applied to molecules that contain heteroatoms and multiple bonds, and performs well in distinguishing cis/trans isomers. The relationships between the GAIs and physicochemical properties of olefins and neutral phosphorus compounds were observed with satisfactory results.

Recognition of Topological Invariants by Iterative Arrays

A study is made of the recognition and transformation of figures by iterative arrays of finite state automata. A figure is a finite rectangular two-dimensional array of symbols. The iterative arrays considered are also finite, rectangular, and two-dimensional. The automata comprising any given array are called cells and are assumed to be isomorphic and to operate synchronously with the state of a cell at time t+1 being a function of the states of it and its four nearest neighbors at time t. At time t=0 each cell is placed in one of a fixed number of initial states. The pattern of initial states thus introduced represents the figure to be processed. The resulting sequence of array states represents a computation based on the input figure. If one waits for a specially designated cell to indicate acceptance or rejection of the figure, the array is said to be working on a recognition problem. If one waits for the array to come to a stable configuration representing an output figure, the array is said to be working on a transformation problem.

Topological changes in a two-dimensional foam cluster

Cox, S.J., Vaz, M.F. and Weaire, D. (2003) Topological changes in a two-dimensional foam cluster. The European Physical Journal E - Soft Matter . 11:29-35.

The topological behaviour of 3D null points in the Sun's corona

Brown D. S. and Priest E. R. 2001, The topological behaviour of 3D null points in the Sun's corona, Astronomy and Astrophysics, 367, 339-346

Pre-empting Plateau: the nature of topological transitions in foam

Hutzler, S., Weaire, D., Cox, S.J., Van der Net, A. and Janiaud, E. (2007) Pre-empting Plateau: the nature of topological transitions in foam. Europhys. Lett. 77: 28002 Sponsorship: EPSRC / ESA / ESTEC / Science Foundation Ireland/ Gulbenkian Foundation

A Topological Analysis of the Magnetic Breakout Model for an Eruptive Solar Flare

Maclean, R., Beveridge, C., Longcope, D.W., Brown, D.S. and Priest, E.R., 2005, A topological analysis of the magnetic breakout model for an eruptive solar flare, Proc. Roy. Soc., 461, 2099-2120. Sponsorship: PPARC/STFC

The dynamics of a topological change in a system of soap films

Hutzler, S., Saadatfar, M., van der Net, A., Weaire, D. and Cox, S.J. (2007) The dynamics of a topological change in a system of soap films. Coll. Surf. A, 323:123-131. Sponsorship: This research was supported by the European Space Agency (contracts 14914/02/NL/SH and 14308/00/NL/SH), Science Foundation Ireland. (RFP 05/REP/PHY00/6), and the EU program COST P21 (The Physics of droplets). SJC acknowledges support from EPSRC (EP/D071127/1). MS is supported by the Irish Higher Education Authority (PRTLI-IITAC).

Material effects on stress-induced defect generation in trenched silicon-on-insulator structures

We have investigated the influence of the material properties of the silicon device layer on the generation of defects, and in particular slip dislocations, in trenched and refilled fusion-bonded silicon-on-insulator structures. A strong dependence of the ease of slip generation on the type of dopant species was observed, with the samples falling into three basic categories; heavily boron-doped silicon showed ready slip generation, arsenic and antimony-doped material was fairly resistant to slip, while silicon moderately or lightly doped with phosphorous or boron gave intermediate behavior. The observed behavior appears to be controlled by differences in the dislocation generation mechanism rather than by dislocation mobility. The introduction of an implanted buried layer at the bonding interface was found to result in an increase in slip generation in the silicon, again with a variation according to the dopant species. Here, the greatest slip occurred for both boron and antimony-implanted samples. The weakening of the implanted material may be related to the presence of a band of precipitates observed in the silicon near the bonding interface. (C) 2001 The Electrochemical Society.