Solvent Influence on Cellulose 1,4‐β‐Glycosidic Bond Cleavage: A Molecular Dynamics and Metadynamics Study

We explore the influence of two solvents, namely water and the ionic liquid 1‐ethyl‐3‐methylimidazolium acetate (EmimAc), on the conformations of two cellulose models (cellobiose and a chain of 40 glucose units) and the solvent impact on glycosidic bond cleavage by acid hydrolysis by using molecular dynamics and metadynamics simulations. We investigate the rotation around the glycosidic bond and ring puckering, as well as the anomeric effect and hydrogen bonds, in order to gauge the effect on the hydrolysis mechanism. We find that EmimAc eases hydrolysis through stronger solvent–cellulose interactions, which break structural and electronic barriers to hydrolysis. Our results indicate that hydrolysis in cellulose chains should start from the ends and not in the centre of the chain, which is less accessible to solvent.     

On the structure of complete simply connected embedded minimal surfaces

The helicoid and the plane are the only known complete simply connected minimal surfaces without self-intersections. In this paper we make an analytic study of this class of surfaces by first deforming them continuously into surfaces with self-intersections. Next, we study the (backward) time evolution of the set of self-intersections and see what geometric conditions must prevail in order for the self-intersections to rush off to infinity in finite time. As a result of this program it is shown that any surface of the type considered above has to satisfy at least one of five geometric possibilities. The first two of these alternatives are pathological, the third one is satisfied by the plane, and the next two are satisfied by the helicoid.     

Common Tangents to Spheres in ℝ3

We prove that four spheres in ℝ³ have infinitely many real common tangents if and only if they have aligned centers and at least one real common tangent.     

Du discret au continu pour des modèles de réseaux aléatoires d'atomes

We study in this Note the continuum (macroscopic) limit for some atomistic models for crystals. The purpose is to derive densities of mechanical energies from microscopic models. In contrast to the setting of a previous study, where the microscopic structure was assumed to be periodic, it is modelled here by a stochastic lattice, which enjoys some stationarity and ergodicity properties, following notions previously introduced elsewhere. To cite this article: X. Blanc et al., C. R. Acad. Sci. Paris, Ser. I 342 (2006).     

Scattering from infinite rough tubular surfaces

We study the Helmholtz equation in the exterior of an infinite perturbed cylinder with a Dirichlet boundary condition. Existence and uniqueness of solutions are established using the variational technique introduced (SIAM J. Math. Anal. 2005; 37 (2):598–618). We also provide stability estimates with explicit dependence of the constants in terms of the frequency and the perturbed cylinder thickness. Copyright © 2006 John Wiley & Sons, Ltd.     

Alternative syntheses of the D2d symmetric 1,3,5,7-tetraiodotricyclo[3.3.0.0]octane

Three alternative syntheses of 1,3,5,7-tetraiodotricyclo[3.3.0.0^3,7]octane are described. Reaction of this tetraiodide with sodium amalgam in the presence of dienes or with molten sodium in boiling 1,4-dioxane in the absence of trapping agents led to very complex mixtures of products, presumably due to competitive 1,2- and 1,3-deiodination reactions.     

ATM switching and CPE adaptation in the North Carolina InformationHighway

This article describes the approach which has been used to implement a sector of the information highway throughout the state of North Carolina, with specific attention focused on the functionality of the equipment that comprises the North Carolina Information Highway (NCIH). This implementation of this information highway is based on ATM technology, used in both the switching systems of the network and the customer premises equipment (CPE). The large ATM switching systems provide the extensive number of connections that are predicted for the information highway. Multiple services can also be supported on the ATM switches. The information streams for these different services can all be converted into ATM format using the appropriate ATM adaptation layer for transport through the ATM network. By being able to support multiple services, and transport them across common ATM facilities, the ATM switches offer the NCIH great flexibility in the applications that can be provided to the customers. Use of the ATM technology allows the NCIH to provide the backbone for various services. To provide the distance learning service application and other applications on the NCIH, ATM capabilities are also being provided in CPE on a service multiplexer     

InAs/GaSb/AlSb resonant tunneling spin device concepts

We discuss device concepts for creating spin-polarized current sources without external magnetic fields, using non-magnetic 6.1 Å semiconductor resonant tunneling structures. Spin filters, spin pumps, and spin transistors that exploit structural and bulk inversion asymmetries will be examined.     

Monte Carlo Simulation of Electron Transport and X-Ray Generation. II. Radiative Processes and Examples in Electron Probe Microanalysis

Theoretical models for Monte Carlo simulation of radiative processes, i.e. bremsstrahlung and characteristic x-ray emission, are presented. Possible strategies for simulating electron transport are briefly described. For mechanisms involving energy loss and angular deflections, difficulties for strict implementation of accurate numerical differential cross sections still remain due to the strong correlations between these variables. Practical solutions for the case of inelastic collisions and bremsstrahlung emission are described. Comparisons of simulation results with experimental data for several problems of interest in electron probe microanalysis are presented.