Fields of strains around the inclusion of second phase in a uniform matrix undergoing plastic deformation

This paper focuses on the problem of the evaluation of strains around the inclusions of various shapes and properties located in the uniform matrix undergoing large plastic deformations. The analysis is performed using the rigid-plastic finite-element approach. The uniform plane-strain deformation field is simulated by an introduction of zero friction forces into the program for the compression process. An assumption that the die is wider than the sample allows to simulate ideally uniform flow of metal. Several shapes of the inclusions are investigated, but the results for three most common shapes of the particle's cross-section are presented in the paper. They are: square with the sides parallel to the main directions, square with the sides inclined under an angle of 45° to the main directions and round.     

Electrochemical deposition of poly(o-anisidine) and polypyrrole at octadecanethiol coated gold electrodes

The o-anisidine and pyrrole have been polymerized by the electrochemical oxidation of monomers on gold electrodes, covered with self-assembled monolayers. The obtained polymer–monolayer systems have been investigated by cyclic voltammetry in aqueous supporting electrolyte solutions containing K₄Fe(CN)₆ and Ru(NH₃)₆Cl₃. The deposition of conducting polymers strongly depends on the integrity of a monolayer. In the case of a large number of SAM defects, the polymerization of o-anisidine and pyrrole leads to the formation of nuclei of the conducting polymer in the insulating matrix of the thiol monolayer. When the polymer is in the conducting (oxidized) form, the nuclei act as an array of microelectrodes. The polarogram-shaped voltammograms obtained for K₄Fe(CN)₆ confirm the hemispherical diffusion of redox species to the polymer nuclei. When the polymer is in the non-conducting (reduced) form, the polymer–octadecanethiol layer blocks the redox processes on the electrode. The exponential-type CV curves observed for Ru(NH₃)₆Cl₃, when the polymer is in its non-conducting state, can be assigned to the tunnelling of electrons through the passivating layer. The use of monolayers with a low number of defects influences the mechanism of polymer growth. Thus, the polypyrrole grows on the layer of thiols, and the poly(o-anisidine) forms polymer nuclei.     

Modelling water cooling of steel strip during hot rolling

Several tests of water cooling of steel samples are presented in the paper. The water spray and quenching conditions are considered. The temperature variations during the tests are monitored using the thermocouples embedded in the side of the samples. The experimental time – temperature profiles are compared with the results of calculations based on the finite element model. Comparison of the theoretical and experimental results allowed to suggest heat transfer coefficients of 10000 W/m²K for water in quenching, 6000 W/m²K for the top surface during water spray cooling and 4000 W/m²K for the bottom surface during water spray cooling.     

Thermo-mechanical finite-element simulation of the tube sinking process

Thermo-mechanical finite-element model of the tube sinking process is presented in this paper. The model combines the rigid-plastic finite element approach, used to determine the velocity field, with the numerical solution of the convective-diffusion equation which accounts for the thermal events in the deformation zone. The condition of zero normal velocity and zero normal stress on the free inner surface of the tube was used to determine the shape of this surface. Typical results of calculations include the distributions of strain rates, strains, stresses and temperatures in the wall of the tube during the sinking process.     

A labeling algorithm to recognize a line digraph and output its root graph

In this short note we present a very efficient, linear time algorithm for the recognition of line digraphs. The algorithm is based on a reformulation of the characterization of line digraphs proved by Harary and Norman.     

Solvent Screening for Solubility Enhancement of Theophylline in Neat,Binary and Ternary NADES Solvents: New Measurements and Ensemble Machine Learning

Theophylline, a typical representative of active pharmaceutical ingredients, was selected to study the characteristics of experimental and theoretical solubility measured at 25 °C in a broad range of solvents, including neat, binary mixtures and ternary natural deep eutectics (NADES) prepared with choline chloride, polyols and water. There was a strong synergistic effect of organic solvents mixed with water, and among the experimentally studied binary systems, the one containing DMSO with water in unimolar proportions was found to be the most effective in theophylline dissolution. Likewise, for NADES, the addition of water (0.2 molar fraction) resulted in increased solubility compared to pure eutectics, with the highest solubilisation potential offered by the composition of choline chloride with glycerol. The ensemble of Statistica Automated Neural Networks (SANNs) developed using intermolecular interactions in pure systems has been found to be a very accurate model for solubility computations. This machine learning protocol was also applied as an extensive screening for potential solvents with higher solubility of theophylline. Such solvents were identified in all three subgroups, including neat solvents, binary mixtures and ternary NADES systems. Some methodological considerations of SANNs applications for future modelling were also provided. Although the developed protocol is focused exclusively on theophylline solubility, it also has general importance and can be used for the development of predictive models adequate for solvent screening of other compounds in a variety of systems. Formulation of such a model offers rational guidance for the selection of proper candidates as solubilisers in the designed solvents screening.     

The Role of TRPM2 in Endothelial Function and Dysfunction

The transient receptor potential (TRP) melastatin-like subfamily member 2 (TRPM2) is a non-selective calcium-permeable cation channel. It is expressed by many mammalian tissues, including bone marrow, spleen, lungs, heart, liver, neutrophils, and endothelial cells. The best-known mechanism of TRPM2 activation is related to the binding of ADP-ribose to the nudix-box sequence motif (NUDT9-H) in the C-terminal domain of the channel. In cells, the production of ADP-ribose is a result of increased oxidative stress. In the context of endothelial function, TRPM2-dependent calcium influx seems to be particularly interesting as it participates in the regulation of barrier function, cell death, cell migration, and angiogenesis. Any impairments of these functions may result in endothelial dysfunction observed in such conditions as atherosclerosis or hypertension. Thus, TRPM2 seems to be an attractive therapeutic target for the conditions connected with the increased production of reactive oxygen species. However, before the application of TRPM2 inhibitors will be possible, some issues need to be resolved. The main issues are the lack of specificity, poor membrane permeabilization, and low stability in in vivo conditions. The article aims to summarize the latest findings on a role of TRPM2 in endothelial cells. We also show some future perspectives for the application of TRPM2 inhibitors in cardiovascular system diseases.