Distributed synthesis for regular and contextfree specifications

We consider the distributed realizability problem for systems with regular and deterministic contextfree local specifications. We characterize exactly the architectures for which the realizability problem is decidable. This extends known results on local specifications in two directions. First, architectures with cycles are allowed instead of just acyclic ones and second, deterministic contextfree specifications are considered.     

Composite materials of melt-spun Mg90Ni10 and graphite: Microstructural changes during cyclic hydrogenation and the impact on gas and heat transport characteristics

It is of high technical importance to consider the loading and unloading dynamics of hydride-based hydrogen storage tanks, which are mainly influenced by the heat and gas transfer properties inside the reaction bed. In this regard, hydride-graphite composites offer improved heat transfer properties and higher volumetric storage capacities compared to commonly used powder beds.     

<Superscript>1</Superscript>H-NMR Spectroscopy as a New Tool in the Assessment of the Oxidative State in Edible Oils

Within the course of lipid peroxidation, hydroperoxides are formed as primary products. They can be used as analytical markers to assess the deterioration status of oils and fats. Here a new ¹H-NMR assay to determine the hydroperoxide amount in edible oils is presented. We were able to show that the analytical performance of the method is similar to that of the commonly used peroxide value (PV) according to Wheeler. A total of 290 edible oil samples were analyzed using both methods. For some oil varieties considerable discrepancies were found between the results obtained. In the case of black seed and olive oil, two substances could be identified that cause positive (black seed oil) and negative (olive oils) deviations from the theoretical PV expected from the NMR values.     

Identification and Optimization of the First Highly Selective GLUT1 Inhibitor BAY‐876

Despite the long‐known fact that the facilitative glucose transporter GLUT1 is one of the key players safeguarding the increase in glucose consumption of many tumor entities even under conditions of normal oxygen supply (known as the Warburg effect), only few endeavors have been undertaken to find a GLUT1‐selective small‐molecule inhibitor. Because other transporters of the GLUT1 family are involved in crucial processes, these transporters should not be addressed by such an inhibitor. A high‐throughput screen against a library of ～3 million compounds was performed to find a small molecule with this challenging potency and selectivity profile. The N‐(1H‐pyrazol‐4‐yl)quinoline‐4‐carboxamides were identified as an excellent starting point for further compound optimization. After extensive structure–activity relationship explorations, single‐digit nanomolar inhibitors with a selectivity factor of >100 against GLUT2, GLUT3, and GLUT4 were obtained. The most promising compound, BAY‐876 [N⁴‐[1‐(4‐cyanobenzyl)‐5‐methyl‐3‐(trifluoromethyl)‐1H‐pyrazol‐4‐yl]‐7‐fluoroquinoline‐2,4‐dicarboxamide], showed good metabolic stability in vitro and high oral bioavailability in vivo.     

Electrochemical investigations on amorphous Fe-base alloys for alkaline water electrolysis

In this work different amorphous melt-spun Fe-alloys (Fe₈₂B₁₈, Fe₈₀Si₁₀B₁₀, Fe₆₀Co₂₀Si₁₀B₁₀) were investigated as cathode materials for the alkaline electrolysis of water. In particular, the influence of cobalt as well as the metalloids boron and silicon on the activity for the hydrogen evolution reaction (HER) was studied in 1 M KOH at 298 K using cyclic voltammetric, galvanostatic and polarization techniques. The electrocatalytic activity was evaluated in the view of the overpotential. It was found that cyclic voltammetric techniques can be used to activate the melt-spun Fe-alloys strongly. Different cyclic voltammetric activation procedures are discussed and the influence of the sweep rate and the potential window on the HER activity was elucidated. The experimental data indicate that the addition of metalloids and, most importantly, of cobalt improves the HER activity of the materials. Thus, the overpotential can be reduced by 200 mV compared to polycrystalline Ni.     

Modeling planar slider-crank mechanisms with clearance joints in RecurDyn

Revolute joints in applications always show clearance between pin and bushing due to manufacturing tolerances, the need of relative motion or progressing wear. Many researchers developed and investigated methodologies to calculate the dynamic behavior of mechanisms with such imperfect joints. Very often they use a simple slider-crank mechanism to test or demonstrate the capability of their approaches. In this paper, a methodology for simulating a slider-crank mechanism with an imperfect revolute joint in RecurDyn, a commercial multibody simulation tool, is presented. Therefore, a thorough investigation of existing contact, damping and friction force models as well as different ways of modeling revolute joints in RecurDyn was conducted. For the investigation of the damping models, a special program for calculating the model parameters for a given coefficient of restitution was developed. Only one damping model was capable of reproducing the experimental results, which were found in literature. Some characteristic results of the slider-crank mechanism are presented in a way that they can be compared to results in other papers. Thereby. a good correlation was achieved, demonstrating the capabilities of the methodology.     

Impact of Business Practices on Individual Energy Consumption

Changing behaviours and attitudes towards more sustainable individual energy consumption is a difficult topic to address. After identifying the most recurrent factors influencing the bad energy consumption, society's environmental short-sightedness, a lack of individual responsibility and a tendency to put responsibility upon firms, institutions, and governments, the authors evaluated the effect that business practices can have on individual behaviour. By qualifying as highly credible sources of information, positioning themselves as examples to follow, and providing its employees with the necessary smart and innovative technology, business communities can have a major impact on changing individual behaviours towards more sustainable energy consumption.     

Methacrylated calix[4]arene phosphonic acids as functionalized crosslinker for radical polymerization

We describe the synthesis of 5,11,17,23‐tetra‐tert‐butyl‐25,27‐dioxypropylphosphonic acid‐26,28‐dimethacryloyloxy‐calix [4]arene and 5,11,17,23‐tetra‐tert‐butyl‐25‐oxypropylphosphonic acid‐27‐hydroxy‐26,28‐dimethacryloyloxy‐calix[4]arene starting from para‐tert‐butyl‐calix[4]arene. The complete reaction was proved by matrix‐assisted laser desorption ionization time of flight mass spectrometry and nuclear magnetic resonance spectroscopy. The influence of these compounds on the kinetics of the radical polymerization of methyl methacrylate was shown by dilatometry. Furthermore, the adhesive properties of dental adhesives containing these calix[4]arene derivatives were investigated. Copyright © 2012 Society of Chemical Industry