NICE h : a higher-order explicit numerical scheme for integration of constitutive models in plasticity

The article introduces, as a result of further development of the first-order scheme NICE, a simple and efficient higher-order explicit numerical scheme for the integration of a system of ordinary differential equations which is constrained by an algebraic condition (DAE). The scheme is based on the truncated Taylor expansion of the constraint equation with order h of the scheme being determined by the highest exponent in the truncated Taylor series. The integration scheme thus conceived will be named NICE ^h , considering both principal premises of its construction. In conjunction with a direct solution technique used to solve the boundary value problem, the NICE ^h scheme is very convenient for integrating constitutive models in plasticity. The plasticity models are defined mostly by a system of algebraic and differential equations in which the yield criterion represents the constraint condition. To study the properties of the new integration scheme, which, like the forward-Euler scheme, is characterised by its implementation simplicity due to the explicitness of its formulations, a damage constitutive model (Gurson–Tvergaard–Needleman model) is considered. The general opinion that the implicit backward-Euler scheme is much more accurate than the thus-far known explicit schemes is challenged by the introduction of the NICE ^h scheme. The accuracy of the higher-order explicit scheme in the studied cases is significantly higher than the accuracy of the classical backward-Euler scheme, if we compare them under the condition of a similar CPU time consumption.     

Learning communicative actions of conflicting human agents

One of the main problems to be solved while assisting inter-human conflict resolution is how to reuse the previous experience with similar agents. A machine learning technique for handling scenarios of interaction between conflicting human agents is proposed. Scenarios are represented by directed graphs with labelled vertices (for communicative actions) and arcs (for temporal and causal relationships between these actions and their parameters). For illustrative purposes, classification of a scenario is computed by comparing partial matching of its graph with graphs of positive and negative examples. Nearest Neighbour learning is followed by the JSM-based learning which minimised the number of false negatives and takes advantage of a more accurate way of matching sequences of communicative actions. Developed scenario representation and comparative analysis techniques are applied to the classification of textual customer complaints. It is shown that analysing the structure of communicative actions without context information is frequently sufficient to estimate complaint validity. Therefore, being domain-independent, proposed machine learning technique is a good compliment to a wide range of customer relation management applications where formal treatment of inter-human interactions is required in a decision-support mode.     

Oxidation of ZrB2–SiC–ZrSi2 ceramics in oxygen

The oxidation of ZrB₂–SiC and ZrB₂–SiC–ZrSi₂ ceramics of different composition has been studied experimentally at 1500 °C in pure oxygen for up to 50 h. ZrB₂–SiC–ZrSi₂ ceramics proved to be the most oxidation-resistant at ZrSi₂ contents of less then 4 wt%. These ceramics were more oxidation-resistant than ZrB₂–SiC ceramics. An analytical model of growth kinetics for a multilayered scale based on an oxidation–diffusion balance was developed and tested.     

π-ELECTRON CONTENTS OF RINGS IN THE DOUBLE-HEXAGONAL-CHAIN HOMOLOGOUS SERIES (PYRENE,ANTHANTHRENE AND OTHER ACENOACENES)

Abstract

Recently three methods for calculating the π-electron content of rings of benzenoid hydrocarbons were put forward: one based on the consideration of Kekuléstructural formulas, and the other two based on an analogous treatment of the Clar aromatic sextet formulas. These three methods are applied to the homologous series consisting of two condensed acene chains (whose first members are pyrene, anthanthrene, peri-naphthacenonaphthacene, …), leading to basically identical results. In contrast to acenes (in which the partition of π-electrons into rings is uniform), in the double-hexagonal-chain species the partition of π-electrons is highly non-uniform. The electron content monotonically decreases, in opposite directions, along the two acene chains, being maximal in the least annelated rings. Some other generally valid regularities in the π-electron properties of the double–hexagonal–chain benzenoids are also pointed out.     

Development of a Hypersensitive Periodate‐Cleavable Amino Acid that is Methionine‐ and Disulfide‐Compatible and its Application in MHC Exchange Reagents for T Cell Characterisation

Incorporation of cleavable linkers into peptides and proteins is of particular value in the study of biological processes. Here we describe the synthesis of a cleavable linker that is hypersensitive to oxidative cleavage as the result of the periodate reactivity of a vicinal amino alcohol moiety. Two strategies directed towards the synthesis of a building block suitable for solid‐phase peptide synthesis were developed: a chemoenzymatic route, involving L ‐threonine aldolase, and an enantioselective chemical route; these led to α,γ‐diamino‐β‐hydroxybutanoic acids in diastereoisomerically mixed and enantiopure forms, respectively. Incorporation of the 1,2‐amino alcohol linker into the backbone of a peptide generated a conditional peptide that was rapidly cleaved at very low concentrations of sodium periodate. This cleavable peptide ligand was applied in the generation of MHC exchange reagents for the detection of antigen‐specific T cells in peripheral blood cells. The extremely low concentration of periodate required to trigger MHC peptide exchange allowed the co‐oxidation of methionine and disulfide residues to be avoided. Conditional MHC reagents hypersensitive to periodate can now be applied without limitations when UV irradiation is undesired or less practical.     

Vakuumimprägnierung poröser Metallwerkstücke mit anorganischen Nanosolen

Vacuum impregnation of porous metal materials with inorganic nanosol The sealing of porous metal pieces is possible by application of inorganic nanosols. For suitable sealing it is necessary that the nansols are applied by vacuum impregnation. For sealing useful nanosols contain particles of silicon/aluminium‐oxide with a modification of organic methyl groups. The nanosol particles are smaller than 100nm and the maximum of the particle size distribution is around 10nm. Beside sealing of the metal pieces, also their stability against corrosion can be improved by this nanosol application. The further development of this technology is especially promising for applications in machine factory or automobile.     

On the influence of baseline startle reactivity on the indexation of prepulse inhibition.

Prepulse inhibition (PPI) of the startle reflex refers to the reduction of the reflexive startle response to an intense pulse stimulus when its presentation is shortly preceded by a weak prepulse stimulus. PPI is considered as a cross-species translational model of sensorimotor gating, and deficient PPI has been reported in a number of neuropsychiatric disorders. Although a part of the literature is based on the assumption that PPI is independent of the baseline startle reaction, there is accumulating evidence (Csomor et al., 2006; Sandner & Canal, 2007; Yee, Chang, Pietropaolo, & Feldon, 2005) that argues against such an independency. The authors systematically investigated whether PPI indexed as percentage or difference score is dependent on the magnitude of baseline startle reactivity in healthy human volunteers and in C57BL/6 mice. The results revealed that both indexations of PPI were affected by the magnitude of the baseline startle. The authors highlight the pitfalls of different methods to index PPI, especially when startle reactivity differs considerably between groups under comparison, and offer practical recommendations to satisfactorily deal with such baseline differences. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Effects of polypyrrole modified electrode functionalization on potentiometric pH responses

Two functionalized polypyrrole films, poly(11-N-pyrrolylundecanoic) acid and poly(N-undecylpyrrole), were used as sensitive layers for pH sensors. The functionalized pyrrole monomers were first synthesized before carrying out their electropolymerization onto non-oxidizable electrodes. The deposits were characterized by SEM imaging, XPS and PM-IRRAS to study surface structure and composition. Poly(11-N-pyrrolylundecanoic) acid coating yielded very promising results as sensitive layer in pH sensors. Indeed, the potentiometric responses from pH 4.0 to 9.0 appeared linear, reversible, stable in time over a period of 1 month and highly selective for H⁺ ions. This behavior was attributed to carboxylic acid groups which are sensitive to proton concentration changes. This was confirmed by the fact that poly(N-undecylpyrrole) film led to potentiometric responses being pH dependent only from pH 6.0 to 9.0 with low sensitivity. Poly(11-N-pyrrolylundecanoic) acid is thus promoted to be used as sensitive layer in pH sensors.