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A compact and efficient PEM electrolyser stack design based on hydraulic single cell compression
(2019)
Geometries, stabilities, electronic properties and NMR-shielding of cucurbit[6]uril–spermine host-ligand complexes are investigated with DFT calculations and compared to experimental results. Cucurbit[6]uril and spermine can form complexes with two different minimum energy geometries and corresponding characteristic differences in NMR shielding. The energetically preferred complex geometry has a perfect inversion symmetry and its proton NMR shielding agrees very well with experimental results. The cucurbit[6]uril host molecule shows a distinct geometrical flexibility in ligand binding which allows an induced fit of the spermine ligand. The energetic barrier for the rotation of spermine in the favourable complex is approximated to be in the order of a few kilocalories per mole.
In this research computer tomography (CT) iterative reconstruction (IR) algorithms are investigated, specifically the impact of their statistical and model-based strength on image quality in low-dose lung screening CT protocols in comparison to filtered back projection (FBP). It has been probed whether statistical, model-based IR in conjunction with low-dose, and ultra-low-dose protocols are suitable for lungcancer screening. To this end, artificial lung nodules shaped as spheres and spicules made from material with calibrated Hounsfield units (HU) were attached on marked positions in the lung structure of an anthropomorphic phantom. Nodule positions were selected by distinguished radiologists. The phantom with nodules was scanned on a CT Scanner using standard high contrast (SHC), low-dose (LD) and ultra low-dose (ULD) protocol. For reconstruction FBP and the IR algorithm ADMIRE at three different …
The purpose of this work was to develop and investigate a radiofrequency (RF) coil to perform image studies on small animals using the 7T magnetic resonance imaging (MRI) system, installed in the imaging platform in the autopsy room (Portuguese acronym PISA), at the University of Sao Paulo, Brazil, which is the unique 7T MRI scanner installed in South America. Due to a high demand to create new specific coils for this 7T system, it is necessary to carefully assess the distribution of electromagnetic (EM) fields generated by the coils and evaluate the patient/object safety during MRI procedures. To achieve this goal 3D numerical methods were used to design and analyse a 8-rungs transmit/receive linearly driven birdcage coil for small animals. Calculated magnetic field (B 1) distributions generated by the coil were crosschecked with measured results, indicating good confidence in the simulated results.
In this paper, the effect of computed tomography (CT) values of metals in 12-bit and 16-bit extended Hounsfield Unit (EHU) scale on dose calculations in radiotherapy treatment planning systems (TPS) were quantified. Dose simulations for metals in water environment were performed with the software PRIMO in 6MV photon mode. The depth dose profiles were analysed and the relative dose differences between the metals determined with 12-bit and 16-bit CT imaging, respectively, were calculated. Maximum dose differences of ΔAl= 3.0%, ΔTi= 4.5%, ΔCr= 6.2% and ΔCu= 11.6% were measured. In order to increase the accuracy of dose calculation on patients with implants, CT imaging in the EHU scale is recommended.
The article highlights gender codes in design, particularly in web design, by means of current examples. Different aspects of gender-specific design are looked at in detail and their inherent problems discussed: on the one hand the development of a special solution (gender-specific for women), on the other hand, web design with reduced functionality and simplification of information (i.e. image representation) which sometimes even leads to a negation of technology. The article illustrates that gender codes and stereotypical role models can be embodied on different design levels of web design (use and artefact): in structure/navigation, in creative elements by the use of shape, colour and imagery and on a textual level. These design decisions have an impact on the power of users to act, their individual gender identity and the structural gender identity/social perception of gender. The article demonstrates that gender codes in current web design are very present and aims to sensitize the topic.
The algorithm for automated functional groups detection and extraction of organic molecules developed by Peter Ertl is implemented on the basis of the Chemistry Development Kit (CDK).
Folder Basic contains the basic ErtlFunctionalGroupsFinder code and test code for integration in Java projects.
Folder CDK contains CDK library jar file cdk-2.2.jar that ErtlFunctionalGroupsFinder works with.
Folder Evaluation contains sample code for evaluation of functional groups with ErtlFunctionalGroupsFinder.
Folder JUnit 4 contains library jar files for unit testing.
Folder Performance contains a jar library for performance tests.
ErtlFunctionalGroupsFinder is described in the scientific literature
Neuroscientists want to inspect the data their simulations are producing while these are still running. This will on the one hand save them time waiting for results and therefore insight. On the other, it will allow for more efficient use of CPU time if the simulations are being run on supercomputers. If they had access to the data being generated, neuroscientists could monitor it and take counter-actions, e.g., parameter adjustments, should the simulation deviate too much from in-vivo observations or get stuck.
As a first step toward this goal, we devise an in situ pipeline tailored to the neuroscientific use case. It is capable of recording and transferring simulation data to an analysis/visualization process, while the simulation is still running. The developed libraries are made publicly available as open source projects. We provide a proof-of-concept integration, coupling the neuronal simulator NEST to basic 2D and 3D visualization.
This paper presents a novel approach to build consistent 3D maps for multi robot cooperation in USAR environments. The sensor streams from unmanned aerial vehicles (UAVs) and ground robots (UGV) are fused in one consistent map. The UAV camera data are used to generate 3D point clouds that are fused with the 3D point clouds generated by a rolling 2D laser scanner at the UGV. The registration method is based on the matching of corresponding planar segments that are extracted from the point clouds. Based on the registration, an approach for a globally optimized localization is presented. Apart from the structural information of the point clouds, it is important to mention that no further information is required for the localization. Two examples show the performance of the overall registration.
Global registration of heterogeneous ground and aerial mapping data is a challenging task. This is especially difficult in disaster response scenarios when we have no prior information on the environment and cannot assume the regular order of man-made environments or meaningful semantic cues. In this work we extensively evaluate different approaches to globally register UGV generated 3D point-cloud data from LiDAR sensors with UAV generated point-cloud maps from vision sensors. The approaches are realizations of different selections for: a) local features: key-points or segments; b) descriptors: FPFH, SHOT, or ESF; and c) transformation estimations: RANSAC or FGR. Additionally, we compare the results against standard approaches like applying ICP after a good prior transformation has been given. The evaluation criteria include the distance which a UGV needs to travel to successfully localize, the registration error, and the computational cost. In this context, we report our findings on effectively performing the task on two new Search and Rescue datasets. Our results have the potential to help the community take informed decisions when registering point-cloud maps from ground robots to those from aerial robots.
Venice 2018: Tradr Review
(2018)
The video shows an orthopoto and a textured 3D model of the location. 300 images were recorded in two short flights with a Mavic Pro in 50 meter height. The first one was a single grid while the camera facing down and the second one was a double grid facing the camera at an 60 degree angle. The 3D model is computed with OpenDroneMap.
The two churches, San Francesco and Sant'Agostino in Amatrice, Italy was hit by an earthquake on August 24 2016. Both churches are in a state of partial collapse, in need of shoring to prevent potential further destruction and to preserve the national heritage. The video show the mission at 1.Sept.2016 in clips of 10 seconds.
The TRADR project was asked by the Italian firebrigade Vigili del Fuoco to provide 3D textured models of two churches.
The team entered San Francesco with two UGVs (ground robots) and one UAV (drone, flown by Prof. Surmann), teleoperating them entirely out of line of sight and partially in collaboration. We entered Sant'Agostino with one UAV (also flown by Prof. Surmann) while two other UAVs were providing a view from different angles to facilitate maneuvering them entirely out of line of sight.
A Robust Interface for Head Motion based Control of a Robot Arm using MARG and Visual Sensors
(2018)
Head-controlled human machine interfaces have gained popularity over the past years, especially in the restoration of the autonomy of severely disabled people, like tetraplegics. These interfaces need to be reliable and robust regarding the environmental conditions to guarantee safety of the user and enable a direct interaction between a human and a machine. This paper presents a hybrid MARG and visual sensor system for head orientation estimation which is in this case used to teleoperate a robotic arm. The system contains a Magnetic Angular Rate Gravity (MARG)-sensor and a Tobii eye tracker 4C. A MARG sensor consists of tri-axis accelerometer, gyroscope as well as a magnetometer which enable a complete measurement of orientation relative to the direction of gravity and magnetic field of the earth. The tri-axis magnetometer is sensitive to external magnetic fields which result in incorrect orientation estimation from the sensor fusion process. In this work the Tobii eye tracker 4C is used to increase head orientation estimation because it also features head tracking even though it is commonly used for eye tracking. This type of visual sensor does not suffer magnetic drift. However, it computes orientation data only, if a user is detectable. Within this work a state machine is presented which enables data fusion of the MARG and visual sensor to improve orientation estimation. The fusion of the orientation data of MARG and visual sensors enables a robust interface, which is immune against external magnetic fields. Therefore, it increases the safety of the human machine interaction.
Opportunities and Challenges in Mixed-Reality for an Inclusive Human-Robot Collaboration Environment
(2018)
This paper presents an approach to enhance robot control using Mixed-Reality. It highlights the opportunities and challenges in the interaction design to achieve a Human-Robot Collaborative environment. In fact, Human-Robot Collaboration is the perfect space for social inclusion. It enables people, who suffer severe physical impairments, to interact with the environment by providing them movement control of an external robotic arm. Now, when discussing about robot control it is important to reduce the visual-split that different input and output modalities carry. Therefore, Mixed-Reality is of particular interest when trying to ease communication between humans and robotic systems.
Steganography, the art of concealing information in different types of medias, is a very old practice. Yet, it only recently started being used by malware operators on a large scale. Malware programmers and operators are increasing their efforts in developing covert communication channels between infected computers and their command and control servers. In addition to steganography, recent examples include hiding communication in inconspicuous network traffic such as DNS queries or HTTP 404 error messages.
When used properly, these covert communication channels can bypass many automated detection mechanisms and render malware communication difficult to detect and block. From an attacker's perspective, covert communication channels are a valuable addition because they allow messages to blend in with legitimate traffic and thus significantly lower the chance of being detected even when inspected by a human analyst.
This presentation studies recent advances in covert communication channels used by real-world malware. First, we will show how steganography has recently been used in three different malware families (Stegoloader, Vawtrak, and Lurk). We will dive into the implementation details on how steganography is implemented and discuss the strengths and weaknesses of each approach. Furthermore, we will detail and compare the usage of inconspicuous carrier protocols for covert communication channels in malware. Examples will span commodity cybercrime as well as targeted attack malware.
The cases that are discussed in this presentation are based on real life incidents. While it is easy to speculate how covert communication channels might be used by malicious actors, documentation of real-world cases is sparse. Yet covert communication channels have arrived in both, the commodity cybercrime and targeted attack world. It is thus vital to understand the status-quo and identify current trends in cybercriminal and targeted attack malware. As such, we believe that it is mandatory to highlight what is currently being used in the wild.
We report on investigations that illustrate the interaction between the specific immune system and a young avascular tumor growing due to a diffusive nutrient supply. We formulate a hybrid cellular automata-partial differential equation (CA-PDE) model which includes cell cycle dynamics and allows for tracking the spatial and temporal evolution of this elaborate biological system. We present results of two dimensional numerical simulations that, specifically in this work, include special cases of the spherical and papillary tumor growth, the infiltration of immune system cells into the tumor and the escape of tumor cells from the regime of the immune cells.
We report on the suitability of two different ranges of Hounsfield units (HU) in computed tomography (CT) for the quantification of metallic components of active implantable medical devices (AIMD). The conventional Hounsfield units (CHU) range, which is traditionally used in radiology, is well suited for tissue but suspected inappropriate for metallic materials. Precise HU values are notably beneficial in radiotherapy (RT) for accurate dose calculations, thus for the safety of patient carrying implants. Some of today’s CT machines offers an extended Hounsfield units (EHU) range. This study presents CT acquisitions of a water phantom containing various metallic discs and an implantable-cardioverter defibrillator (IPG). We show that the comparison of HU values at EHU and CHU ranges clearly reveals the superiority and accuracy of EHU. Some geometrical discrepancies perpendicular to slices are observed. At EHU metal artifact reduction algorithms (MAR) underestimates HU values rendering MAR potentially inappropriate for RT.
Radiotherapy (RT) treatment planning is based on computed tomography (CT) images and traditionally uses the conventional Hounsfield unit (CHU) range. This HU range is suited for human tissue but inappropriate for metallic materials. To guarantee safety of patient carrying implants precise HU quantification is beneficial for accurate dose calculations in planning software. Some modern CT systems offer an extended HU range (EHU). This study focuses the suitability of these two HU ranges for the quantification of metallic components of active implantable medical devices (AIMD). CT acquisitions of various metallic and non-metallic materials aligned in a water phantom were investigated. From our acquisitions we calculated that materials with mass-density ρ > 3.0 g/cm3 cannot be represented in the CHU range. For these materials the EHU range could be used for accurate HU quantification. Since the EHU range does not effect the HU values for materials ρ < 3.0 g/cm3, it can be used as a standard for RT treatment planning for patient with and without implants.
This study investigates differences between treatment plans generated by Ray Tracing (RT) and Monte Carlo (MC) calculation algorithms in homogeneous and heterogeneous body regions. Particularly, we focus on the head and on the thorax, respectively, for robotic stereotactic radiotherapy and radiosurgery with Cyberknife. Radiation plans for tumors located in the head and in the thorax region have been calculated and compared to each other in 47 cases and several tumor types.
Upgrade of Bioreactor System Providing Physiological Stimuli
to Engineered Musculoskeletal Tissues
(2017)
A novel central control interface (CCI) is developed to improve the modular bioreactor system with regard to extendability and modifiability in Tissue Engineering (TE) applications. This paper presents the results developed in the project with open-source hardware and the graphical programming system LabVIEW. A new platform independent User Interface was further developed to contribute to the new flexibility of the device.
CIP is an open-source high-level function library for (non-linear) curve fitting and data smoothing (with cubic splines), clustering (k-medoids, ART-2a) and machine learning (multiple linear/polynomial regression, feed-forward perceptron-type shallow and deep neural networks and support vector machines). In addition it provides several heuristics for the selection of training and test data or methods to estimate the relevance of data input components. CIP is built on top of the computing platform Mathematica to exploit its algorithmic and graphical capabilities.
CIP is an open-source high-level function library for (non-linear) curve fitting and data smoothing (with cubic splines), clustering (k-medoids, ART-2a) and machine learning (multiple linear/polynomial regression, feed-forward perceptron-type shallow and deep neural networks and support vector machines). In addition it provides several heuristics for the selection of training and test data or methods to estimate the relevance of data input components. CIP is built on top of the computing platform Mathematica to exploit its algorithmic and graphical capabilities.
Jdpd is an open Java simulation kernel for Molecular Fragment Dissipative Particle Dynamics with parallelizable force calculation, efficient caching options and fast property calculations. It is characterized by an interface and factory-pattern driven design for simple code changes and may help to avoid problems of polyglot programming. Detailed input/output communication, parallelization and process control as well as internal logging capabilities for debugging purposes are supported. The new kernel may be utilized in different simulation environments ranging from flexible scripting solutions up to fully integrated “all-in-one” simulation systems.
SPICES (Simplified Particle Input ConnEction Specification) is a particle-based molecular structure representation derived from straightforward simplifications of the atom-based SMILES line notation. It aims at supporting tedious and error-prone molecular structure definitions for particle-based mesoscopic simulation techniques like Dissipative Particle Dynamics by allowing for an interplay of different molecular encoding levels that range from topological line notations and corresponding particle-graph visualizations to 3D structures with support of their spatial mapping into a simulation box. An open Java library for SPICES structure handling and mesoscopic simulation support in combination with an open Java Graphical User Interface viewer application for visual topological inspection of SPICES definitions are provided.
Metallic implants in magnetic resonance imaging (MRI) are a potential safety risk since the energy absorption may increase temperature of the surrounding tissue. The temperature rise is highly dependent on implant size. Numerical examinations can be used to calculate the energy absorption in terms of the specific absorption rate (SAR) induced by MRI on orthopaedic implants. This research presents the impact of titanium osteosynthesis spine implants, called spondylodesis, deduced by numerical examinations of energy absorption in simplified spondylodesis models placed in 1.5 T and 3.0 T MRI body coils. The implants are modelled along with a spine model consisting of vertebrae and disci intervertebrales thus extending previous investigations [1], [2]. Increased SAR values are observed at the ends of long implants, while at the center SAR is significantly lower. Sufficiently short implants show increased SAR along the complete length of the implant. A careful data analysis reveals that the particular anatomy, i.e. vertebrae and disci intervertebrales, has a significant effect on SAR. On top of SAR profile due to the implant length, considerable SAR variations at small scale are observed, e.g. SAR values at vertebra are higher than at disc positions.
A simplified model for spondylodesis, ie fixation of vertebrae by osteosynthesis, is developed for virtual magnetic resonance imaging (MRI) examinations to numerically calculate energy absorption. This paper presents results of calculated energy absorption in body tissue surrounding titanium rod implants. In general each wire or rod behaves like an antenna in electromagnetic fields. The specific absorption rate (SAR) profile describes dependence of implant size. SAR hotspots appear near the rod edges. Depending of the size of implant fixation SAR is 62%(small fixation) up to 90.95%(large fixation) higher than without implants. In addition, local SAR profile displays local dependency on tissue: SAR is lower between the vertebrae.
Cancer is a leading cause of morbidity and mortality worldwide, with approximately 14 million new cases and 8.2 million cancer related deaths in 2012 [1]. Moreover, the global cancer burden is expected to exceed 20 million new cancer cases by 2025. Understanding the spatial and temporal behaviour of cancer is a crucial precondition to achieve a successful treatment. Because no two cancer cases are the same, every patient should receive a treatment plan designed specifically for her case, in order to improve the patient’s survival chances.
Quantum systems are typically subject to various environmental noise sources. Treating these environmental disturbances with a system-bath approach beyond weak coupling, one must refer to numerical methods as, for example, the numerically exact quasi-adiabatic path integral approach. This approach, however, cannot treat baths which couple to the system via operators, which do not commute. We extend the quasi-adiabatic path integral approach by determining the time discrete influence functional for such non-commuting fluctuations and by modifying the propagation scheme accordingly. We test the extended quasi-adiabatic path integral approach by determining the time evolution of a quantum two-level system coupled to two independent baths via non-commuting operators. We show that the convergent results can be obtained and agreement with the analytical weak coupling results is achieved in the respective limits.
We derive a Magnus expansion for a frequency chirped quantum two-level system. We obtain a time-independent effective Hamiltonian which generates a stroboscopic time evolution. At lowest order the according dynamics is identical to results from using a rotating wave approximation. We determine, furthermore, also the next higher-order corrections within our expansion scheme in correspondence to the Bloch-Siegert shifts for harmonically driven systems. Importantly, our scheme can be extended to more complicated systems, i.e., even many-body systems.
Recent experimental results showing atypical nonlinear absorption and marked deviations from well known universality in the low temperature acoustic and dielectric losses in amorphous solids prove the need for improving the understanding of the nature of two-level systems (TLSs) in these materials. Here we suggest the study of TLSs focused on their properties which are nonuniversal. Our theoretical analysis shows that the standard tunneling model and the recently suggested two-TLS model provide markedly different predictions for the experimental outcome of these studies. Our results may be directly tested in disordered lattices, e.g KBr:CN, where there is ample theoretical support for the validity of the two-TLS model, as well as in amorphous solids. Verification of our results in the latter will significantly enhance understanding of the nature of TLSs in amorphous solids, and the ability to manipulate them and reduce their destructive effect in various cutting edge applications including superconducting qubits.
Steps Towards an Open All-in-one Rich-Client Environment for Particle-Based Mesoscopic Simulation
(2018)
Renewable and sustainable energy production by many small and distributed producers is revolutionizing the energy landscape as we know it. Consumers produce energy, making them to prosumers in the smart grid. The interaction between prosumers and other entities in the grid and the optimal utilization of new smart grid components (electric cars, freezers, solar panels, etc.) are crucial for the success of the smart grid. The Power Trading Agent Competition is an open simulation platform that allows researchers to conduct low risk studies in this new energy market. In this work we present Maxon16, an autonomous energy broker and champion of the 2016's Power Trading Agent Competition. We present the strategies the broker used in the final round and evaluate the effectiveness of the strategies by analyzing the tournament's results.
Web advertisements are the primary financial source for many online services, but also for cybercriminals. Successful ad campaigns rely on good online profiles of their potential customers. The financial potentials of displaying ads have led to the rise of malware that injects or replaces ads on websites, in particular, so-called adware. This development leads to always further optimized and customized advertising. For these customization's, various tracking methods are used. However, only sparse work has gone into privacy issues emerging from adware. In this paper, we investigate the tracking capabilities and related privacy implications of adware and potentially unwanted programs (PUPs). Therefore, we developed a framework that allows us to analyze any network communication of the Firefox browser on the application level to circumvent encryption like TLS. We use this to dynamically analyze the communication streams of over 16,000 adware or potentially unwanted programs samples that tamper with the users' browser session. Our results indicate that roughly 37% of the requests issued by the analyzed samples contain private information and are accordingly able to track users. Additionally, we analyze which tracking techniques and services are used.