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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.
Hydrogen sulfide (H2S) is well known as a highly toxic environmental chemical threat. Prolonged exposure to H2S can lead to the formation of pulmonary edema. However, the mechanisms of how H2S facilitates edema formation are poorly understood. Since edema formation can be enhanced by an impaired clearance of electrolytes and, consequently, fluid across the alveolar epithelium, it was questioned whether H2S may interfere with transepithelial electrolyte absorption. Electrolyte absorption was electrophysiologically measured across native distal lung preparations (Xenopus laevis) in Ussing chambers. The exposure of lung epithelia to H2S decreased net transepithelial electrolyte absorption. This was due to an impairment of amiloride-sensitive sodium transport. H2S inhibited the activity of the Na+/K+-ATPase as well as lidocaine-sensitive potassium channels located in the basolateral membrane of the epithelium. Inhibition of these transport molecules diminishes the electrochemical gradient which is necessary for transepithelial sodium absorption. Since sodium absorption osmotically facilitates alveolar fluid clearance, interference of H2S with the epithelial transport machinery provides a mechanism which enhances edema formation in H2S-exposed lungs.
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.
We explore the potential of stereoscopic 3D (S3D) vision in offering distinct gameplay using an S3D-specific game called Deepress3D. Our game utilizes established S3D design principles for optimizing GUI design, visual comfort and game mechanics which rely on depth perception in time-pressured spatial conflicts. The game collects detailed S3D player metrics and allows players to choose between different, evenly matched strategies. We conducted a between subjects study comparing S3D and monoscopic versions of Deepress3D that examined player behavior and performance and measured user-reported data on presence, simulator sickness, and game experience.
Gene expression and cell growth rely on the intracellular concentration of amino acids, which in metazoans depends on extracellular amino acid availability and transmembrane transport. To investigate the impact of extracellular amino acid concentrations on the expression of a concentrative amino acid transporter, we overexpressed the main kidney proximal tubule luminal neutral amino acid transporter B0AT1-collectrin (SLC6A19-TMEM27) in MDCK cell epithelia. Exogenously expressed proteins co-localized at the luminal membrane and mediated neutral amino acid uptake. However, the transgenes were lost over few cell culture passages. In contrast, the expression of a control transgene remained stable. To test whether this loss was due to inappropriately high amino acid uptake, freshly transduced MDCK cell lines were cultivated either with physiological amounts of amino acids or with the high concentration found in standard cell culture media. Expression of exogenous transporters was unaffected by physiological amino acid concentration in the media. Interestingly, mycoplasma infection resulted in a significant increase in transgene expression and correlated with the rapid metabolism of L-arginine. However, L-arginine metabolites were shown to play no role in transgene expression. In contrast, activation of the GCN2 pathway revealed by an increase in eIF2α phosphorylation may trigger transgene derepression. Taken together, high extracellular amino acid concentration provided by cell culture media appears to inhibit the constitutive expression of concentrative amino acid transporters whereas L-arginine depletion by mycoplasma induces the expression of transgenes possibly via stimulation of the GCN2 pathway.
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.
This thesis presents an approach to automatically adjust the parameters of a Java application run on the IBM J9 Virtual Machine in order to improve its performance. It works by analyzing the logfile the VM generates and searching for specific behavioral patterns. These patterns are matched against a list of known patterns for which rules exist that specify how to adapt the VM to the given application. Adapting the application is done by adding parameters and changing existing ones, for example to achieve a better heap usage. The process is fully automated and carried out by a toolkit developed for this thesis. 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.
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.
A cost-efficient alternative to outside-in tracking systems for pointing interaction with large displays is to equip the pointing device with a camera, whose images are matched to display content. This work presents the Dynamic Marker Camera Tracking (DMCT) framework for display-based camera tracking. It accounts for typical display characteristics and uses dynamic on-screen markers overlaid to the display content that follow the camera. An example marker implementation and a tracking recovery method are presented. DMCT can measure pointing locations with sub-millimeter precision in large tracking volumes and computes 6-DoF camera poses for 3D interaction. 60 Hz update rate and 24 ms latency were achieved. DMCT's main limitation is the visible marker interfering with display content. In pointing effciency, the prototype is comparable to an OptiTrack system.
Humans exhibit flexible and robust behavior in achieving their goals. We make suitable substitutions for objects, actions, or tools to get the job done. When opportunities that would allow us to reach our goals with less effort arise, we often take advantage of them. Robots are not nearly as robust in handling such situations. Enabling a domestic service robot to find ways to get a job done by making substitutions is the goal of our work. In this paper, we highlight the challenges faced in our approach to combine Hierarchical Task Network planning, Description Logics, and the notions of affordances and conceptual similarity. We present open questions in modeling the necessary knowledge, creating planning problems, and enabling the system to handle cases where plan generation fails due to missing/unavailable objects.
Software repository data, for example in issue tracking systems, include natural language text and technical information, which includes anything from log files via code snippets to stack traces. However, data mining is often only interested in one of the two types e.g. in natural language text when looking at text mining. Regardless of which type is being investigated, any techniques used have to deal with noise caused by fragments of the other type i.e. methods interested in natural language have to deal with technical fragments and vice versa. This paper proposes an approach to classify unstructured data, e.g. development documents, into natural language text and technical information using a mixture of text heuristics and agglomerative hierarchical clustering. The approach was evaluated using 225 manually annotated text passages from developer emails and issue tracker data. Using white space tokenization as a basis, the overall precision of the approach is 0.84 and the recall is 0.85.
Purpose – The aim of the study is to investigate the implementation of corporate sustainability (CS) in the German real estate sector.
Design/methodology/approach – The authors begin by outlining the framework set by the European Union and the German Federal Government for companies wanting to be classified as sustainable. After this, the relevance of sustainability for German real estate companies is discussed. Their empirical section contains an international comparison. Finally, they present an analysis checking the implementation of CS for the main 135 German real estate companies.
Findings – The present analysis shows that German real estate companies compare well with their international counterparts, in 2012 representing 15 per cent of all real estate firms reporting on the basis of the Global Reporting Initiative. However, of the 135 companies in Germany surveyed, only a small proportion classify themselves as CS and CSR (corporate social responsibility) enterprises. This number could be rapidly increased by better documentation of companies’ commitment to sustainability.
Practical implications – The study’s importance lies in the overview it provides of CS activities in the German real estate industry. In addition, it provides hints on how companies can improve their documentation to classify as CSR enterprises. Although the analysis concentrates on Germany, the results are also relevant for companies in other European countries.
After an introduction, we discuss the conflicts that occurred in a highly experimental course setting, in which we implemented a student-centered course in urban higher education with a constructivist, blended-learning design. We analyse to which extent the cultural country profiles from our Learning Culture Survey suffice to prevent intercultural conflicts in education and provide support for the design of respective interventions.
This work describes extensions to the well-known Distributed Coordination Function (DCF) model to account for IEEE802.11n point-to-point links. The developed extensions cover adaptions to the throughput and delay estimation for this type of link as well peculiarities of hardware and implementations within the Linux Kernel. Instead of using simulations, the approach was extensively verified on real-world deployments at various link distances. Additionally, trials were conducted to optimize the CWmin values and the number of retries to maximize throughput and minimize delay. The results of this work can be used to estimate the properties of long-distance 802.11 links beforehand, allowing the network to be planned more accurately.