A Note on Degree Conditions for Traceability in Locally Claw-Free Graphs

We say that a set S of vertices is traceable in a graph G whenever there is a path in G containing all vertices of S. In this paper we study the problem of traceability of a prescribed set of vertices in a locally claw-free graph (i.e. a graph in which some specified vertices are not centers of an induced claw). In particular we give sufficient degree conditions restricted to the given set S of vertices for the traceability of S.     

Even Cycles in Graphs with Many Odd Cycles

It will be shown that if G is a graph of order n which contains a triangle, a cycle of length n or n−1 and at least cn odd cycles of different lengths for some positive constant c, then there exists some positive constant k=k(c) such that G contains at least kn ^1/6 even cycles of different lengths. Other results on the number of even cycle lengths which appear in graphs with many different odd length cycles will be given. Received: October 15, 1997     

The successive reduction of data subsets: A new method for estimating parameters of thermodynamic models

The successive reduction method allows the fitting of models to large sets of data using microcomputers of moderate memory size. It relies on the assumption that the information brought by a set of data is summarized by the maximum likelihood parameters and their inverse variance—covariance matrix. The parameters are estimated from the last data subset, taking account of the information brought by the former ones. The successive reduction method is compared with the classical 'global' method. They give exactly the same results for linear models. With a non-linear model, equivalent results are obtained when this model is consistent with the data. Applications are presented, relating to parameter estimation for generalized equations of state, to vapour—liquid equilibrium and excess enthalpy data reduction using the NRTL and UNIQUAC models.     

Characterising different molecular landscapes in dynamic covalent networks

Dynamic covalent networks present a unique opportunity to exert molecular-level control on macroscopic material properties, by linking their thermal behaviour to the thermodynamics and kinetics of the underlying chemistry. Yet, existing methods do not allow for the extraction and analysis of the influence of local differences in chemical reactivity caused by available reactants, catalysts, or additives. In this context, we present a rheological paradigm that allows us to correlate the composition of a reactive polymer segment to a faster or slower rate of network rearrangement. We discovered that a generalised Maxwell model could separate and quantify the dynamic behaviour of each type of reactive segment individually, which was crucial to fully comprehend the mechanics of the final material. More specifically, Eyring and Van ''t Hoff analysis were used to relate possible bond catalysis and dissociation to structural changes by combining statistical modelling with rheology measurements. As a result, precise viscosity changes could be measured, allowing for accurate comparison of various dynamic covalent network materials, including vitrimers and dissociative networks. The herein reported method therefore facilitated the successful analysis of virtually any type of rate-enhancing effect and will allow for the design of functional and fast (re)processable materials, as well as improve our ability to predict and engineer their properties for future applications.

A novel characterisation method is presented to link molecular reactivity changes to material properties of reprocessable thermosets with unique performance.     

New Synthesis of l-Ribofuranose Derivatives from l-Xylose

Abstract

Since l-nucleosides and 2-deoxy l-nucleosides are finding more and more applications for the preparation of nucleases resistant “antisense” oligonucleotides¹ as well as for preparation of modified nucleosides as potential inhibitors of HIV,² efficient preparation of l-ribofuranose derivatives is needed. Although l-ribose was obtained by inversion of d-ribono-1,4-lactone followed by reduction,³ epimerization at C-2 of l-arabinose⁴ and inversion of configuration at C-2 of l-arabinose or at C-3 of l-xylose by displacement of a sulfonate group⁵ were also evaluated, but were found to be not very satisfactory. We recently published a preparation of l-ribofuranose derivatives from l-arabinose in which the configuration at C-2 was inverted by an oxidation-reduction sequence after suitable protection of O-3 and O-5.⁶ Although a high overall yield was obtained, upscaling was difficult because none of the intermediates were obtained in crystalline form. Therefore we decided to evaluate the same methodology starting from l-xylofuranose and we report herein our results.     

A computational study of physical and biological characterization of common UV sources and filters,and their relevance for substituting sunlight

Sunlight is the most important environmental UV source, affecting not only human health but also the whole terrestrial ecosystem. The use of artificial sources is advantageous since it is independent of geographical location and seasonal variations, however, in some photobiological/photochemical studies the choice of a specific UV source in relation to the biological end-point studied is sometimes questionable. Furthermore, it is often difficult to compare the results obtained in different laboratories due to 'slight' differences in the physical characteristics of the UV sources used. In an attempt to address these issues we calculated and compared the physical characteristics and the biological efficiency in UV-B and UV-A regions for two biological end-points (CPD and Fpg-sensitive sites formation) for frequently used UV-B, UV-A sources and solar light simulators (SLS). Our calculation shows that FS20 lamp is appropriate for studying the biological effects of UV-B radiation although differences in spectral characteristics of the associated filters may lead to at least 2-fold yields in CPD production. Furthermore, the use of a SLS with a Kodacel filter alone is inadequate for studying environmental UV effects. A metal-halide source with a Schott WG345 filter is appropriate for studies on biological effects due to UV-A region. Relative exposure duration was calculated to achieve equal amount of CPD or Fpg-sensitive sites, provided equal, total UV-(A+B) irradiance for the different UV sources.     

Hybrid Systems and Hybrid Computation 1st Part: Hybrid Systems

In the first part of this paper we will give a short historical survey of the field of hybrid systems, a precise definition of a hybrid system and some comments on the definition. In a second paper (Hybrid systems and hybrid computation – 2nd part: Hybrid computation) we will concentrate on a particular aspect of the theory closely related to scientific computation, that we have called hybrid computation.     

Diffusion coefficients of solids in supercritical carbon dioxide: Modelling of near critical behaviour

Most of the models proposed in literature for binary diffusion coefficients of solids in supercritical fluids are restricted to infinite dilution; this can be explained by the fact that most of experimental data are performed in the dilute range. However some industrial processes, such as supercritical fluid separation, operate at finite concentration for complex mixtures. In this case, the concentration dependence of diffusion coefficients must be considered, especially near the upper critical endpoint (UCEP) where a strong decrease of diffusion coefficients was experimentally observed. In order to represent this slowing down, a modified version of the Darken equation was proposed in literature for naphthalene in supercritical carbon dioxide. In this paper, the conditions of application of such a modelling are investigated. In particular, we focus on the order of magnitude of the solubility of the solid and on the vicinity of the critical endpoint. Various equations proposed in literature for the modelling of the infinite dilution diffusion coefficients of the solutes are also compared. Ten binary mixtures of solids with supercritical carbon dioxide were considered for this purpose.     

Relation between substrate surface morphology and microcrystalline silicon solar cell performance

In the present paper, the structural and electrical performances of microcrystalline silicon (μc-Si:H) single junction solar cells co-deposited on a series of substrates having different surface morphologies varying from V-shaped to U-shaped valleys, are analyzed. Transmission electron microscopy (TEM) is used to quantify the density of cracks within the cells deposited on the various substrates. Standard 1 sun, variable illumination measurements (VIM) and Dark J(V) measurements are performed to evaluate the electrical performances of the devices. A marked increase of the reverse saturation current density (J₀) is observed for increasing crack densities. By introducing a novel equivalent circuit taking into account such cracks as non-linear shunts, the authors are able to relate the magnitude of the decrease of V_oc and FF to the increasing density of cracks.