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Nitrile-type inhibitors are known to interact with cysteine proteases in a covalent-reversible manner. The chemotype of 3-cyano-3-aza-β-amino acid derivatives was designed in which the N-cyano group is centrally arranged in the molecule to allow for interactions with the nonprimed and primed binding regions of the target enzymes. These compounds were evaluated as inhibitors of the human cysteine cathepsins K, S, B, and L. They exhibited slow-binding behavior and were found to be exceptionally potent, in particular toward cathepsin K, with second-order rate constants up to 52 900 × 103 M–1 s–1.
The objective of this research project is to develop a user-friendly and cost-effective interactive input device that allows intuitive and efficient manipulation of 3D objects (6 DoF) in virtual reality (VR) visualization environments with flat projections walls. During this project, it was planned to develop an extended version of a laser pointer with multiple laser beams arranged in specific patterns. Using stationary cameras observing projections of these patterns from behind the screens, it is planned to develop an algorithm for reconstruction of the emitter’s absolute position and orientation in space. Laser pointer concept is an intuitive way of interaction that would provide user with a familiar, mobile and efficient navigation though a 3D environment. In order to navigate in a 3D world, it is required to know the absolute position (x, y and z position) and orientation (roll, pitch and yaw angles) of the device, a total of 6 degrees of freedom (DoF). Ordinary laser-based pointers when captured on a flat surface with a video camera system and then processed, will only provide x and y coordinates effectively reducing available input to 2 DoF only. In order to overcome this problem, an additional set of multiple (invisible) laser pointers should be used in the pointing device. These laser pointers should be arranged in a way that the projection of their rays will form one fixed dot pattern when intersected with the flat surface of projection screens. Images of such a pattern will be captured via a real-time camera-based system and then processed using mathematical re-projection algorithms. This would allow the reconstruction of the full absolute 3D pose (6 DoF) of the input device. Additionally, multi-user or collaborative work should be supported by the system, would allow several users to interact with a virtual environment at the same time. Possibilities to port processing algorithms into embedded processors or FPGAs will be investigated during this project as well.
This paper gives an overview of the development of Fair Trade in six European countries: Austria, France, Germany, the Netherlands, Switzerland and the United Kingdom. After the description of the food retail industry and its market structures in these countries, the main European Fair Trade organizations are analyzed regarding their role within the Fair Trade system. The following part deals with the development of Fair Trade sales in general and with respect to the products coffee, tea, bananas, fruit juice and sugar. An overview of the main activities of national Fair Trade organizations, e.g. public relation activities, completes the analysis. This study shows the enormous upswing of Fair Trade during the last decade and the reasons for this development. Nevertheless, it comes to the conclusion that Fair Trade is still far away from being an essential part of the food retail industry in Europe.
The ability to track moving people is a key aspect of autonomous robot systems in real-world environments. Whilst for many tasks knowing the approximate positions of people may be sufficient, the ability to identify unique people is needed to accurately count people in the real world. To accomplish the people counting task, a robust system for people detection, tracking and identification is needed.
Updating a shared data structure in a parallel program is usually done with some sort of high-level synchronization operation to ensure correctness and consistency. The realization of such high-level synchronization operations is done with appropriate low-level atomic synchronization instructions that the target processor architecture provides. These instructions are costly and often limited in their scalability on larger multi-core / multi-processor systems. In this paper, a technique is discussed that replaces atomic updates of a shared data structure with ordinary and cheaper read/write operations. The necessary conditions are specified that must be fulfilled to ensure overall correctness of the program despite missing synchronization. The advantage of this technique is the reduction of access costs as well as more scalability due to elided atomic operations. But on the other side, possibly more work has to be done caused by missing synchronization. Therefore, additional work is traded against costly atomic operations. A practical application is shown with level-synchronous parallel Breadth-First Search on an undirected graph where two vertex frontiers are accessed in parallel. This application scenario is also used for an evaluation of the technique. Tests were done on four different large parallel systems with up to 64-way parallelism. It will be shown that for the graph application examined the amount of additional work caused by missing synchronization is neglectible and the performance is almost always better than the approach with atomic operations.
Abstract Classical ballet requires dancers to exercise significant muscle control and strength both while stationary and when moving. Following the Royal Academy of Dance (RAD) syllabus, 8 male and 27 female dancers (aged 20.2 + 1.9 yr) in a full-time university undergraduate dance training program were asked to stand in first position for 10 seconds and then perform 10 repeats of a demi-plié exercise to a counted rhythm. Accelerometer records from the wrist, sacrum, knee and ankle were compared with the numerical scores from a professional dance instructor. The sacrum mounted sensor detected lateral tilts of the torso in dances with lower scores (Spearman’s rank correlation coefficient r = -0.64, p < 0.005). The 5RMS6 acceleration amplitude of wrist mounted sensor was linearly correlated to the movement scores (Spearman’s rank correlation coefficient r = 0.63, p < 0.005). The application of sacrum and wrist mounted sensors for biofeedback during dance training is a realistic, low cost option.
Low power dissipation is a current topic in digital design, and therefore, it should be covered in a state-of-the-art electrical engineering curriculum. This paper describes how low-power design can be addressed within a digital design course. Doing so would be beneficial for both topics because low-power design is not detached from the systems perspective, and the digital design course would be enriched by references to current challenges and applications. Thus, the presented course should serve as an example of how a course can be developed to also teach students about sustainable engineering.
The analytical pyrolysis technique hyphenated to gas chromatography–mass spectrometry (GC–MS) has extended the range of possible tools for the characterization of synthetic polymers and copolymers. Pyrolysis involves thermal fragmentation of the analytical sample at temperatures of 500–1400 °C. In the presence of an inert gas, reproducible decomposition products characteristic for the original polymer or copolymer sample are formed. The pyrolysis products are chromatographically separated using a fused-silica capillary column and are subsequently identified by interpretation of the obtained mass spectra or by using mass spectra libraries. The analytical technique eliminates the need for pretreatment by performing analyses directly on the solid or liquid polymer sample. In this article, application examples of analytical pyrolysis hyphenated to GC–MS for the identification of different polymeric materials in the plastic and automotive industry, dentistry, and occupational safety are demonstrated. For the first time, results of identification of commercial light-curing dental filling material and a car wrapping foil by pyrolysis–GC–MS are presented.
Analytical pyrolysis technique hyphenated to gas chromatography/mass spectrometry (Py-GC/MS) has extended the range of possible tools for characterization of synthetic polymers/copolymers. Pyrolysis involves thermal fragmentation of the analytical sample at elevated temperature between 500 and 1400 °C. In the presence of an inert gas, reproducible decomposition products characteristic for the original polymer/copolymer sample are formed. The pyrolysis products are chromatographically separated by using a fused silica capillary column and subsequently identified by interpretation of the obtained mass spectra or by using mass spectra libraries. The analytical technique eliminate the need for pre-treatment by performing analyses directly on the solid or liquid polymer sample.
In this paper, application examples of the analytical pyrolysis hyphenated to gas chromatography/mass spectrometry for the identification of different polymeric materials in the plastic and automotive industry, dentistry and occupational safety are demonstrated. For the first time results of identification of commercially light-curing dental filling material and a car wrapping foil by pyrolysis-GC/MS are presented.
The analytical pyrolysis technique hyphenated to gas chromatography–mass spectrometry (GC–MS) has extended the range of possible tools for the characterization of synthetic polymers and copolymers. Pyrolysis involves thermal fragmentation of the analytical sample at temperatures of 500–1400 °C. In the presence of an inert gas, reproducible decomposition products characteristic for the original polymer or copolymer sample are formed. The pyrolysis products are chromatographically separated using a fused-silica capillary column and are subsequently identified by interpretation of the obtained mass spectra or by using mass spectra libraries. The analytical technique eliminates the need for pretreatment by performing analyses directly on the solid or liquid polymer sample. In this article, application examples of analytical pyrolysis hyphenated to GC–MS for the identification of different polymeric materials in the plastic and automotive industry, dentistry, and occupational safety are demonstrated. For the first time, results of identification of commercial light-curing dental filling material and a car wrapping foil by pyrolysis–GC–MS are presented.
The work being described in this paper is the result of a cooperation project between the Institute of Visual Computing at the Bonn-Rhein-Sieg University of Applied Sciences, Germany and the Laboratory of Biomedical Engineering at the Federal University of Uberlândia, Brazil. The aim of the project is the development of a virtual environment based training simulator which enables for better and faster learning the control of upper limb prostheses. The focus of the paper is the description of the technical setup since learning tutorials still need to be developed as well as a comprehensive evaluation still needs to be carried out.
Automated parameterization of intermolecular pair potentials using global optimization techniques
(2014)
In this work, different global optimization techniques are assessed for the automated development of molecular force fields, as used in molecular dynamics and Monte Carlo simulations. The quest of finding suitable force field parameters is treated as a mathematical minimization problem. Intricate problem characteristics such as extremely costly and even abortive simulations, noisy simulation results, and especially multiple local minima naturally lead to the use of sophisticated global optimization algorithms. Five diverse algorithms (pure random search, recursive random search, CMA-ES, differential evolution, and taboo search) are compared to our own tailor-made solution named CoSMoS. CoSMoS is an automated workflow. It models the parameters’ influence on the simulation observables to detect a globally optimal set of parameters. It is shown how and why this approach is superior to other algorithms. Applied to suitable test functions and simulations for phosgene, CoSMoS effectively reduces the number of required simulations and real time for the optimization task.
This article describes an approach to rapidly prototype the parameters of a Java application run on the IBM J9 Virtual Machine in order to improve its performance. It works by analyzing VM output and searching for behavioral patterns. These patterns are matched against a list of known patterns for which rules exist that specify how to adapt the VM to a given application. Adapting the application is done by adding parameters and changing existing ones. The process is fully automated and carried out by a toolkit. The toolkit iteratively cycles through multiple possible parameter sets, benchmarks them and proposes the best alternative to the user. The user can, without any prior knowledge about the Java application or the VM improve the performance of the deployed application and quickly cycle through a multitude of different settings to benchmark them. When tested with the representative benchmarks, improvements of up to 150% were achieved.
Hybrid system models exploit the modelling abstraction that fast state transitions take place instantaneously so that they encompass discrete events and the continuous time behaviour for the while of a system mode. If a system is in a certain mode, e.g. two rigid bodies stick together, then residuals of analytical redundancy relations (ARRs) within certain small bounds indicate that the system is healthy. An unobserved mode change, however, invalidates the current model for the dynamic behaviour. As a result, ARR residuals may exceed current thresholds indicating faults in system components that have not happened. The paper shows that ARR residuals derived from a bond graph cannot only serve as fault indicators but may also be used for bond graph model-based system mode identification. ARR residuals are numerically computed in an off-line simulation by coupling a bond graph of the faulty system to a non-faulty system bond graph through residual sinks. In real-time simulation, the faulty system model is to be replaced by measurements from the real system. As parameter values are uncertain, it is important to determine adaptive ARR thresholds that, given uncertain parameters, allow to decide whether the dynamic behaviour in a current system mode is the one of the healthy system so that false alarms or overlooking of true faults can be avoided. The paper shows how incremental bond graphs can be used to determine adaptive mode-dependent ARR thresholds for switched linear time-invariant systems with uncertain parameters in order to support robust fault detection. Bond graph-based hybrid system mode identification as well as the determination of adaptive fault thresholds is illustrated by application to a power electronic system easy to survey. Some simulation results have been analytically validated.