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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.
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.
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.
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.
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.
Design of a declarative language for task-oriented grasping and tool-use with dextrous robotic hands
(2014)
Apparently simple manipulation tasks for a human such as transportation or tool use are challenging to replicate in an autonomous service robot. Nevertheless, dextrous manipulation is an important aspect for a robot in many daily tasks. While it is possible to manufacture special-purpose hands for one specific task in industrial settings, a generalpurpose service robot in households must have flexible hands which can adapt to many tasks. Intelligently using tools enables the robot to perform tasks more efficiently and even beyond the designed capabilities. In this work a declarative domain-specific language, called Grasp Domain Definition Language (GDDL), is presented that allows the specification of grasp planning problems independently of a specific grasp planner. This design goal resembles the idea of the Planning Domain Definition Language (PDDL). The specification of GDDL requires a detailed analysis of the research in grasping in order to identify best practices in different domains that contribute to a grasp. These domains describe for instance physical as well as semantic properties of objects and hands. Grasping always has a purpose which is captured in the task domain definition. It enables the robot to grasp an object in a taskdependent manner. Suitable representations in these domains have to be identified and formalized for which a domain-driven software engineering approach is applied. This kind of modeling allows the specification of constraints which guide the composition of domain entity specifications. The domain-driven approach fosters reuse of domain concepts while the constraints enable the validation of models already during design time. A proof of concept implementation of GDDL into the GraspIt! grasp planner is developed. Preliminary results of this thesis have been published and presented on the IEEE International Conference on Robotics and Automation (ICRA).
We are happy to present you the special issue on Best Practice in Robot Software Development of the Journal on Software Engineering for Robotics! The spark for this special issue came during the eighth workshop on Software Development and Integration in Robotics (SDIR) at the 2013 IEEE International Conference on Robotics and Automation. The workshop focused on Robot Software Architectures, and the fruitful discussions made it clear that the design, development, and deployment of robot software is always an interplay between competing aspects. These are often couched in antagonistic pairs, such as dependability versus performance, and prominently include quality attributes as well as functional, nonfunctional, and application requirements.
A principal step towards solving diverse perception problems is segmentation. Many algorithms benefit from initially partitioning input point clouds into objects and their parts. In accordance with cognitive sciences, segmentation goal may be formulated as to split point clouds into locally smooth convex areas, enclosed by sharp concave boundaries. This goal is based on purely geometrical considerations and does not incorporate any constraints, or semantics, of the scene and objects being segmented, which makes it very general and widely applicable. In this work we perform geometrical segmentation of point cloud data according to the stated goal. The data is mapped onto a graph and the task of graph partitioning is considered. We formulate an objective function and derive a discrete optimization problem based on it. Finding the globally optimal solution is an NP-complete problem; in order to circumvent this, spectral methods are applied. Two algorithms that implement the divisive hierarchical clustering scheme are proposed. They derive graph partition by analyzing the eigenvectors obtained through spectral relaxation. The specifics of our application domain are used to automatically introduce cannot-link constraints in the clustering problem. The algorithms function in completely unsupervised manner and make no assumptions about shapes of objects and structures that they segment. Three publicly available datasets with cluttered real-world scenes and an abundance of box-like, cylindrical, and free-form objects are used to demonstrate convincing performance. Preliminary results of this thesis have been contributed to the International Conference on Autonomous Intelligent Systems (IAS-13).
Might the gravity levels found on other planets and on the moon be sufficient to provide an adequate perception of upright for astronauts? Can the amount of gravity required be predicted from the physiological threshold for linear acceleration? The perception of upright is determined not only by gravity but also visual information when available and assumptions about the orientation of the body. Here, we used a human centrifuge to simulate gravity levels from zero to earth gravity along the long-axis of the body and measured observers' perception of upright using the Oriented Character Recognition Test (OCHART) with and without visual cues arranged to indicate a direction of gravity that differed from the body's long axis. This procedure allowed us to assess the relative contribution of the added gravity in determining the perceptual upright. Control experiments off the centrifuge allowed us to measure the relative contributions of normal gravity, vision, and body orientation for each participant. We found that the influence of 1 g in determining the perceptual upright did not depend on whether the acceleration was created by lying on the centrifuge or by normal gravity. The 50% threshold for centrifuge-simulated gravity's ability to influence the perceptual upright was at around 0.15 g, close to the level of moon gravity but much higher than the threshold for detecting linear acceleration along the long axis of the body. This observation may partially explain the instability of moonwalkers but is good news for future missions to Mars.
Gas chromatography with flame-ionization detection (FID) and gas chromatography-mass spectrometry (GC/MS) with electron impact ionization (EI) and chemical ionization (PCI and NCI) were successfully used for separation and identification of commercially available longchain primary alkyl amines. The investigated compounds were used as corrosion inhibiting and antifouling agents in a water-steam circuit of energy systems in the power industry. Solidphase extraction (SPE) with octadecyl bonded silica (C18) sorbents followed by gas chromatography were used for quantification of the investigated Primene JM-T™ alkyl amines in boiler water, condensate and superheated steam samples from the power plant. Amine formulations from Kotamina group favor formation of protective layers on internal surfaces and keep them free from corrosion and scale. Alkyl amines contained in those formulations both render the environment alkaline and limit the corrosion impact of ionic and gaseous impurities by formation of protective layers. Moreover, alkyl amines limit scaling on heating surfaces of boilers and in turbine, ensuring failure-free operation. Application of alkyl amine formulation enhances heat exchange during boiling and condensation processes. Alkyl amines with branched structure are more thermally stable than linear alkyl amines, exhibit better adsorption and effectiveness of surface shielding. As a result, application of thermostable long-chain branched alkyl amines increases the efficiency of anti-corrosive protection. Moreover, the concentration of ammonia content in water and in steam was also considerably decreased.
The contribution of the most common reciprocal translocation in childhood B-cell precursor leukemia t(12;21)(p13;q22) to leukemia development is still under debate. Direct as well as secondary indirect effects of the TEL-AML1 fusion protein are commonly recorded by using cell lines and patient samples, often bearing the TEL-AML1 fusion protein for decades. To identify direct targets of the fusion protein a short-term induction of TEL-AML1 is needed. We here describe in detail the experimental procedure, quality controls and contents of the ChIP, mRNA expression and SILAC datasets associated with the study published by Linka and colleagues in the Blood Cancer Journal [1] utilizing a short term induction of TEL-AML1 in an inducible precursor B-cell line model.
Matrix metalloproteinases (MMPs) are matrix-degrading enzymes that are over-expressed in joints of rheumatoid arthritis (RA) patients. However, the contribution of specific MMPs for the development of arthritic joints is unknown. This study is aimed at studying the role of matrix metalloproteinase-9 (MMP-9) in mice, using the K/BxN serum-transfer model of RA. Arthritis was induced in Balb/c mice by injecting K/BxN serum. Development of arthritis was followed in these mice by measuring ankle thickness and clinical index score. MMP-9 expression in the joints of mice killed at various time points during the disease progression was determined by gelatin zymography using ankle lysates. We found that MMP-9 expression increased with the severity of arthritis. Importantly MMP-9 deficient mice injected with K/BxN serum showed a milder form of arthritis in comparison to the control C57BL/6 mice injected with K/BxN serum. We therefore conclude that MMP-9 promotes arthritis in mice.
It has become increasingly clear that caspases, far from being merely cell death effectors, have a much wider range of functions within the cell. These functions are as diverse as signal transduction and cytoskeletal remodeling, and caspases are now known to have an essential role in cell proliferation, migration, and differentiation. There is also evidence that apoptotic cells themselves can direct the behavior of nearby cells through the caspase-dependent secretion of paracrine signaling factors. In some processes, including the differentiation of skeletal muscle myoblasts, both caspase activation in differentiating cells as well as signaling from apoptotic cells has been reported. Here, we review the non-apoptotic outcomes of caspase activity in a range of different model systems and attempt to integrate this knowledge.
Business process infrastructures like BPMS (Business Process Management Systems) and WfMS (Workflow Management Systems) traditionally focus on the automation of processes predefined at design time. This approach is well suited for routine tasks which are processed repeatedly and which are described by a predefined control flow. In contrast, knowledge-intensive work is more goal and data-driven and less control-flow oriented. Knowledge workers need the flexibility to decide dynamically at run-time and based on current context information on the best next process step to achieve a given goal. Obviously, in most practical scenarios, these decisions are complex and cannot be anticipated and modeled completely in a predefined process model. Therefore, adaptive and dynamic process management techniques are necessary to augment the control-flow oriented part of process management (which is still a need also for knowledge workers) with flexible, context-dependent, goaloriented support.
Sustainability is a key issue in current research activities and programs. In this conjunction three major functions of research have been identified: Basic research, knowledge reservoirs, and knowledge transfer. With regard to a transmission to the private sector, knowledge transfer is the most important factor. In this process, universities of applied sciences can play an important part as they typically have a long-standing experience in linking science and business in their teaching and research. Another important agent in the process of knowledge transfer are networks and clusters. Their strength lies integrating the different competencies of its partners and using them to a mutual benefit.
The International Centre for Sustainable Development (IZNE) – with a major focus on responsible business and sustainable food – takes the advantage of being part of a University of Applied Sciences (Bonn-Rhein-Sieg, BRSU), and being a member of several regional and international clusters and networks. These co-operations aim to establish and strengthen linkages between science and business, in particular by investigating research needs for business and business relevant research activities. Moreover, IZNE established and expanded regional and international co-operations of its own to get more transparency about regional and international value-added chains in the food sector and the issue of responsible business.
The title of the annual report 2013 "Shaping change: The University Addresses Society‘s Probing Challenges" reveals the great importance placed on social, economic and technological changes at the university.
This key aspect thus runs through the contents of the 90-page annual report like a common thread, without losing track of the enormous variety of research and teaching at Bonn-Rhein-Sieg University. Whether the exploration of gaps in robot safety during a European Intensive Programme, a report about the Philipines crisis region from a graduate who has worked as an organizer for Care International, or the chapter "What does change look like?" – The annual report provides the full spectrum of opportunities, activities and findings of university members.
Social cash transfers (SCTs) are considered a priority in least-developed countries, where the gap between the need for basic social protection and existing provisions is greatest. This study represents one of the first comprehensive treatments of the impact of social cash transfers in low-income sub-Saharan Africa, and the first for Zambia's oldest SCT scheme. The results, based on propensity score matching and fully efficient odds-weighted regression, and data from the Kalomo SCT pilot scheme, confirm positive SCT effects on per capita consumption expenditure. We also discover threshold effects with SCT mostly impacting food expenditure among poorer beneficiary households and non-food expenditure among wealthier beneficiaries.
We investigated graphene structures grafted with fullerenes. The size of the graphene sheets ranges from 6400 to 640,000 atoms. The fullerenes (C60 and C240) are placed on top of the graphene sheets, using different impact velocities we could distinguish three types of impact. Furthermore, we investigated the changes of the vibrational properties. The modified graphene planes show additional features in the vibronic density of states.
This review is divided into two interconnected parts, namely a biological and a chemical one. The focus of the first part is on the biological background for constructing tissue-engineered vascular grafts to promote vascular healing. Various cell types, such as embryonic, mesenchymal and induced pluripotent stem cells, progenitor cells and endothelial- and smooth muscle cells will be discussed with respect to their specific markers. The in vitro and in vivo models and their potential to treat vascular diseases are also introduced. The chemical part focuses on strategies using either artificial or natural polymers for scaffold fabrication, including decellularized cardiovascular tissue. An overview will be given on scaffold fabrication including conventional methods and nanotechnologies. Special attention is given to 3D network formation via different chemical and physical cross-linking methods. In particular, electron beam treatment is introduced as a method to combine 3D network formation and surface modification. The review includes recently published scientific data and patents which have been registered within the last decade.
It is a euphemism to say that humans use tools. Humans possess a vast repertoire of tools they use every day. In fact, as language or bipedal locomotion, tool use is a hallmark of humans. Tool use has also been often viewed as an important step during evolution (van Schaik et al., 1999) or even as a marker of the evolution of human intelligence (Wynn, 1985). So a fundamental issue is, what are the cognitive and neural bases of human tool use? The present series of papers in this special topic represents the newest additions to that research topic.
Exposure to microgravity conditions causes cardiovascular deconditioning in astronauts during spaceflight. Until now, no specific drugs are available for countermeasure, since the underlying mechanism is largely unknown. Endothelial cells (ECs) and smooth muscle cells (SMCs) play key roles in various vascular functions, many of which are regulated by purinergic 2 (P2) receptors. However, their function in ECs and SMCs under microgravity conditions is still unclear. In this study, primary ECs and SMCs were isolated from bovine aorta and verified with specific markers. We show for the first time that the P2 receptor expression pattern is altered in ECs and SMCs after 24 h exposure to simulated microgravity using a clinostat. However, conditioned medium compensates this change in specific P2 receptors, for example, P2X7. Notably, P2 receptors such as P2X7 might be the important players during the paracrine interaction. Additionally, ECs and SMCs secreted different cytokines under simulated microgravity, leading into a pathogenic proliferation and migration. In conclusion, our data indicate P2 receptors might be important players responding to gravity changes in ECs and SMCs. Since some artificial P2 receptor ligands are applied as drugs, it is reasonable to assume that they might be promising candidates against cardiovascular deconditioning in the future.
Improving the study entry supports students in a decisive phase of their university education. Implementing improvements is a change process and can only be successful if the relevant stakeholders are addressed and convinced. In the described Teaching Quality Pact project evaluation data is used as a mean to discuss in the university the situation of the study programs. As these discussions were based on empirical data rather than on opinion, it was possible to achieve an open discussion about measures that are implemented. The open discussion is maintained during the project when results of the measures taken are analyzed.