Stereological simulations of asymmetric polymerization in channels of bile acid inclusion compounds: A detailed analysis of the monomer arrangements in the channels

We studied simulations by computer graphics to estimate the steric mechanism of the asymmetric polymerization of prochiral diene monomers in channels of inclusion compounds of steroidal bile acids, such as deoxycholic acid (DCA) and cholic acid. We applied a hierarchization method to interpret the crystal structures of bile acids, clarifying that the chiral host molecules associated to form characteristic 2₁-helical assemblies with uneven surfaces. A detailed analysis of the uneven channels in a close-packing state indicated that there were many possible arrangements of the monomers in the channels. The plausible arrangements in the channel could explain a previous study, which showed that the polymerization in the DCA channel yielded chiral polymers with a predominant configuration from prochiral diene monomers, such as 2-methyl-trans-1,3-pentadiene. On the basis of such simulation studies of the arrangements of guest monomers in the channel, we examined a plausible steric mechanism for asymmetric inclusion polymerization. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 4648–4655, 2004     

The Transport Properties of the Cell Membrane Ion Channels in Electric Fields: Bethe Lattice Treatment

The interactive two-state model of cell membrane ion channels in an electric field is formulated on the Bethe lattice by means of the exact recursion relations. The probability of channel opening or maximum fractions of open potassium and sodium channels are obtained by solving a non-linear algebraic equation. Using known parameters for the conventional mean-field theory the model gives a good agreement with the experiment both at low and high trans-membrane potential values. For intermediate voltages, the numerical results imply that collective effects are introduced by trans-membrane voltage.     

Sizes of Critical Graphs with Small Maximum Degrees

In this paper, we give new lower bounds for the size of Δ-critical graphs with Δ=8,9 which improve the partial results of Luo [6] and Y. Zhao [12].     

Measurements of edge-uncolorability

Cubic bridgeless graphs with chromatic index four are called uncolorable. We introduce parameters measuring the uncolorability of those graphs and relate them to each other. For k=2,3, let c_k be the maximum size of a k-colorable subgraph of a cubic graph G=(V,E). We consider r₃=|E|−c₃ and . We show that on one side r₃ and r₂ bound each other, but on the other side that the difference between them can be arbitrarily large. We also compare them to the oddness ω of G, the smallest possible number of odd circuits in a 2-factor of G. We construct cyclically 5-edge connected cubic graphs where r₃ and ω are arbitrarily far apart, and show that for each 1c<2 there is a cubic graph such that ωcr₃. For k=2,3, let ζ_k denote the largest fraction of edges that can be k-colored. We give best possible bounds for these parameters, and relate them to each other.     

Growth of Lévy trees

We construct random locally compact real trees called Lévy trees that are the genealogical trees associated with continuous-state branching processes. More precisely, we define a growing family of discrete Galton–Watson trees with i.i.d. exponential branch lengths that is consistent under Bernoulli percolation on leaves; we define the Lévy tree as the limit of this growing family with respect to the Gromov–Hausdorff topology on metric spaces. This elementary approach notably includes supercritical trees and does not make use of the height process introduced by Le Gall and Le Jan to code the genealogy of (sub)critical continuous-state branching processes. We construct the mass measure of Lévy trees and we give a decomposition along the ancestral subtree of a Poisson sampling directed by the mass measure. T. Duquesne is supported by NSF Grants DMS-0203066 and DMS-0405779. M. Winkel is supported by Aon and the Institute of Actuaries, EPSRC Grant GR/T26368/01, le département de mathématique de l’Université d’Orsay and NSF Grant DMS-0405779.     

The analysis of thermal stresses in thermopiezoelastic semi-infinite body with an edge crack

Summary  Thermopiezoelastic materials have recently attracted considerable attention because of their potential use in intelligent or smart structural systems. The governing equations of a thermopiezoelastic medium are more complex due to the intrinsic coupling effects that take place among mechanical, electrical and thermal fields. In this analysis, we deal with the problem of a crack in a semi-infinite, transversely isotropic, thermopiezoelastic material by means of potential functions and Fourier transforms under steady heat-flux loading conditions. The problem is reduced to a singular integral equation that is solved. The thermal stress intensity factor for a crack situated in a cadmium selenide material is calculated. Received 20 March 2001; accepted for publication 18 October 2001     

Special simplices and Gorenstein toric rings

Athanasiadis [Ehrhart polynomials, simplicial polytopes, magic squares and a conjecture of Stanley, J. Reine Angew. Math., to appear.] studies an effective technique to show that Gorenstein sequences coming from compressed polytopes are unimodal. In the present paper we will use such the technique to find a rich class of Gorenstein toric rings with unimodal h-vectors arising from finite graphs.     

Using graphs for some discrete tomography problems

Given a rectangular array whose entries represent the pixels of a digitalized image, we consider the problem of reconstructing an image from the number of occurrences of each color in every column and in every row. The complexity of this problem is still open when there are just three colors in the image. We study some special cases where the number of occurrences of each color is limited to small values. Formulations in terms of edge coloring in graphs and as timetabling problems are used; complexity results are derived from the model.     

A bound on the total size of a cut cover

A cycle cover (cut cover) of a graph G is a collection of cycles (cuts) of G that covers every edge of G at least once. The total size of a cycle cover (cut cover) is the sum of the number of edges of the cycles (cuts) in the cover.We discuss several results for cycle covers and the corresponding results for cut covers. Our main result is that every connected graph on n vertices and e edges has a cut cover of total size at most 2e-n+1 with equality precisely when every block of the graph is an odd cycle or a complete graph (other than K₄ or K₈). This corresponds to the result of Fan [J. Combin. Theory Ser. B 74 (1998) 353-367] that every graph without cut-edges has a cycle cover of total size at most e+n-1.     

Electrode “edge effects” analyzed by the Green function method

An exact method based on Green's equation is used to find the diffusion-controlled faradaic current for certain electrode geometries that incorporate edges and vertices. Thereby the magnitudes of the time-independent current density associated with angled electrode/electrode and electrode/insulator junctions are calculated. As well, the square-root-of-time-dependent currents associated with vertices, receive attention. These terms extend to longer times, the Cottrell formulation appropriate for short times. Though most of the problems solved here have been tackled previously, the novel Green function approach is shown to be straightforward and intuitive.