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Institut
- Westfälisches Institut für Gesundheit (115)
- Westfälisches Energieinstitut (61)
- Institut für Internetsicherheit (56)
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- Wirtschaftsingenieurwesen (15)
Background: Priority during the SARS-CoV2 pandemic is that employees need to be protected from infection risks and business activities need to be ensured. New virus variants with increased infection risks require an evolved risk strategy.
Material and methods: Several standard measures such as testing, isolation and quarantine are com-bined to a novel risk strategy. Epidemiological model calculations and scientific knowledge about the course of SARS-CoV2 infectivity are used to optimize this strategy. The procedure is implemented in an easy-to-use calculator based on Excel.
Layout in practice and results: Alternative combinations of measures and practical aspects are dis-cussed. Example calculations are used to demonstrate the effect of the discussed measures.
Conclusion: That quarantine calculator derived from these principles enables even non-specialists to perform a differentiated risk analysis and to introduce optimized measures. Targeted testing routines and alternative measures ensure staff availability.
Web Service Security - XKMS
(2004)
The adsorption of water on r-TiO2(110) has been investigated with thermal desorption spectroscopy (TDS) and helium atom scattering. Conventional TDS using a mass spectrometer and He-TDS monitoring reflected He beam intensity consistently show the existence of a structurally well-defined monolayer as well as a highly ordered second layer of water and a disordered multilayer phase. He diffraction patterns recorded along the high symmetry [001], equation image, and equation image directions reveal a well-ordered superstructure with (1x1) symmetry, providing strong evidence for the absence of a partially dissociated monolayer on the perfect parts of the substrate. No changes in the diffraction patterns are observed after irradiation with UV-light.
Autonomy and self-determination are fundamental aspects of living in our society. Supporting people for whom this freedom is limited due to physical impairments is the fundamental goal of this thesis. Especially for people who are paralyzed, even working at a desk job is often not feasible. Therefore, in this thesis a prototype of a robot assembly workstation was constructed that utilizes a modern Augmented Reality (AR)-Head-Mounted Display (HMD) to control a robotic arm. Through the use of object pose recognition, the objects in the working environment are detected and this information is used to display different visual cues at the robotic arm or in its vicinity. Providing the users with additional depth information and helping them determine object relations, which are often not easily discernible from a fixed perspective.
To achieve this a hands-free AR-based robot-control scheme was developed, which uses speech and head-movement for interaction. Additionally, multiple advanced visual cues were designed that utilize object pose detection for spatial-visual support. The pose recognition system is adapted from state-of-the-art research in computer vision to allow the detection of arbitrary objects with no regard for texture or shape.
Two evaluations were performed, a small user study that excluded the object recognition, which confirms the general usability of the system and gives an impression on its performance. The participants were able to perform difficult pick and place tasks with a high success rate. Secondly, a technical evaluation of the object recognition system was conducted, which revealed an adequate prediction precision, but is too unreliable for real-world scenarios as the prediction quality is highly variable and depends on object orientations and occlusion.
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.
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.
Ultrafast Energy Transfer in Excitonically Coupled Molecules Induced by a Nonlocal Peierls Phonon
(2019)
Molecular vibration can influence exciton transfer via either a local (intramolecular) Holstein or a nonlocal (intermolecular) Peierls mode. We show that a strong vibronic coupling to a nonlocal mode dramatically speeds up the transfer by opening an additional transfer channel. This Peierls channel is rooted in the formation of a conical intersection of the excitonic potential energy surfaces. For increasing Peierls coupling, the electronically coherent transfer for weak coupling turns into an incoherent transfer of a localized exciton through the intersection for strong coupling. The interpretation in terms of a conical intersection intuitively explains recent experiments of ultrafast energy transfer in photosynthetic and photovoltaic molecular systems.
In this paper, we present a method for detecting objects of interest, including cars, humans, and fire, in aerial images captured by unmanned aerial vehicles (UAVs) usually during vegetation fires. To achieve this, we use artificial neural networks and create a dataset for supervised learning. We accomplish the assisted labeling of the dataset through the implementation of an object detection pipeline that combines classic image processing techniques with pretrained neural networks. In addition, we develop a data augmentation pipeline to augment the dataset with utomatically labeled images. Finally, we evaluate the performance of different neural networks.
We show that strong non-Markovian effects can be revealed by the steady-state two-dimensional (2D) photon echo spectra at asymptotic waiting times. For this, we use a simple dimer toy model that is strongly coupled to a harmonic bath with parameters typical for photoactive biomolecules. We calculate the 2D photon echo spectra employing both the numerically exact hierarchy equation of motion and the quasiadiabatic path integral approach and compare these results with approximate results from a time-nonlocal quantum master equation approach. While the latter correctly reproduces the exact population dynamics at long times, it fails at the same time to correctly describe the 2D photon echo spectra at long waiting times. The differences show that non-Markovian effects are much more important for the steady-state 2D photon echoes than for the equilibrium populations. Thus, accurate theoretical descriptions of the energy transfer dynamics in biomolecular complexes have to be based on numerically exact simulations of the environmental fluctuations when nonlinear response functions are analyzed.
This thesis evaluates the effects of the GDPR using a technical and human-centric approach. We assess challenges service providers face when they want to design GDPR-proof web applications. On the technical side, we perform two large-scale measurement studies. The first study aims to illuminate third party loading dependencies in web applications. The second study provides a detailed analysis of the information-sharing networks between online adver-tising companies. The human-centric analysis studies how companies implemented the Right to Access and if users can profit from the new right.
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.
Third-party tracking is a common and broadly used technique on the Web. Different defense mechanisms have emerged to counter these practices (e.g. browser vendors that ban all third-party cookies). However, these countermeasures only target third-party trackers and ignore the first party because the narrative is that such monitoring is mostly used to improve the utilized service (e.g. analytical services). In this paper, we present a large-scale measurement study that analyzes tracking performed by the first party but utilized by a third party to circumvent standard tracking preventing techniques. We visit the top 15,000 websites to analyze first-party cookies used to track users and a technique called “DNS CNAME cloaking”, which can be used by a third party to place first-party cookies. Using this data, we show that 76% of sites effectively utilize such tracking techniques. In a long-running analysis, we show that the usage of such cookies increased by more than 50% over 2021.
For proton exchange membrane water electrolysis (PEMWE) to become competitive, the cost of stack components, such as bipolar plates (BPP), needs to be reduced. This can be achieved by using coated low-cost materials, such as copper as alternative to titanium. Herein we report on highly corrosion-resistant copper BPP coated with niobium. All investigated samples showed excellent corrosion resistance properties, with corrosion currents lower than 0.1 µA cm−2 in a simulated PEM electrolyzer environment at two different pH values. The physico-chemical properties of the Nb coatings are thoroughly characterized by scanning electron microscopy (SEM), electrochemical impedance spectroscopy (EIS), X-ray photoelectron spectroscopy (XPS), and atomic force microscopy (AFM). A 30 µm thick Nb coating fully protects the Cu against corrosion due to the formation of a passive oxide layer on its surface, predominantly composed of Nb2O5. The thickness of the passive oxide layer determined by both EIS and XPS is in the range of 10 nm. The results reported here demonstrate the effectiveness of Nb for protecting Cu against corrosion, opening the possibility to use it for the manufacturing of BPP for PEMWE. The latter was confirmed by its successful implementation in a single cell PEMWE based on hydraulic compression technology.
Thermal Stress at the Surface of Thick Conductive Plates Induced by Sinusoidal Current Pulses
(2016)
The Unfitted Discontinuous Galerkin Method for Solving the EEG Forward Problem: A Second Order Study
(2016)
The disruptive nature of the changing media landscape and technology-driven advances in communication have led to innovative ways of organizing work in the information and communication industry. This reorganization of work is reflected in the concept of New Work, which rethinks working concepts, styles, and employee behavior. Based on a survey among staff in the information and communication industry (n = 380), this study investigates the status quo of the implementation of New Work measures and their effectiveness in helping companies reach organizational goals. The results show that New Work measures are widely adopted although there is still unused potential. Moreover, the study demonstrates that the implementation of New Work measures supports companies in achieving New Work goals as well as overall organizational goals in the contexts of agile management, change management, internal communication, and evaluation.
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.
This paper reveals various approaches undertaken over more than two decades of teaching undergraduate programming classes at different Higher Education Institutions, in order to improve student activation and participation in class and consequently teaching and learning effectiveness.
While new technologies and the ubiquity of smartphones and internet access has brought new tools to the classroom and opened new didactic approaches, lessons learned from this personal long-term study show that neither technology itself nor any single new and often hyped didactic approach ensured sustained improvement of student activation. Rather it needs an integrated yet open approach towards a participative learning space supported but not created by new tools, technology and innovative teaching methods.
The printing variable least addressed in previous research aiming to reveal the effect of the FFF process parameters on the printed PLA part’s quality and properties is the filament color. Moreover, the color of the PLA, as well as its manufacturer, are rarely mentioned when the experimental conditions for the printing of the samples are described, although current existing data reveal that their influence on the final characteristics of the print should not be neglected. In order to point out the importance of this influential parameter, a natural and a black-colored PLA filament, produced by the same manufacturer, were selected. The dimensional accuracy, tensile strength, and friction properties of the samples were analyzed and compared for printing temperatures ranging from 200 C up to 240 C. The experimental results clearly showed different characteristics depending on the polymer color of samples printed under the same conditions. Therefore, the optimization of the FFF process parameters for the 3D-printing of PLA should always start with the proper selection of the type of the PLA material, regarding both its color and the fabricant.
Among the FDM process variables, one of the less addressed in previous research is the filament color. Moreover, if not explicitly targeted, the filament color is usually not even mentioned.
Aiming to point out if, and to what extent, the color of the PLA filaments influences the dimensional precision and the mechanical strength of FDM prints, the authors of the present research carried out experiments on tensile specimens. The variable parameters were the layer height (0.05 mm, 0.10 mm, 0.15 mm, 0.20 mm) and the material color (natural, black, red, grey). The experimental results clearly showed that the filament color is an influential factor for the dimensional accuracy as well as for the tensile strength of the FDM printed PLA parts. Moreover, the two way ANOVA test performed revealed that the strongest effect on the tensile strength was exerted by the PLA color (2 = 97.3%), followed by the layer height (2 = 85.5%) and the interaction between the PLA color and the layer height (2 = 80.0%). Under the same printing conditions, the best dimensional accuracy was ensured by the black PLA (0.17% width deviations, respectively 5.48% height deviations), whilst the grey PLA showed the highest ultimate tensile strength values (between 57.10 MPa and 59.82 MPa).
This Article introduces two research projects towards assistive robotic arms for people with severe body impairments. Both projects aim to develop new control and interaction designs to promote accessibility and a better performance for people with functional losses in all four extremities, e.g. due to quadriplegic or multiple sclerosis. The project MobILe concentrates on using a robotic arm as drinking aid and controlling it with smart glasses, eye-tracking and augmented reality. A user oriented development process with participatory methods were pursued which brought new knowledge about the life and care situation of the future target group and the requirements a robotic drinking aid needs to meet. As a consequence the new project DoF-Adaptiv follows an even more participatory approach, including the future target group, their family and professional caregivers from the beginning into decision making and development processes within the project. DoF-Adaptiv aims to simplify the control modalities of assistive robotic arms to enhance the usability of the robotic arm for activities of daily living. lo decide on exemplary activities, like eating or open a door, the future target group, their family and professional caregivers are included in the decision making process. Furthermore all relevant stakeholders will be included in the investigation of ethical, legal and social implications as well as the identification of potential risks. This article will show the importance of the participatory design for the development and research process in MobILe and DoF-Adaptiv.
The German supply chain law ( Lieferkettensorgfaltspflichtengesetz, abbreviated: LkSG) which enters into force on 1 January 2023 is part of the developing legal framework for human rights in global supply chains. Like the French vigilance law, it represents a new generation of supply chain laws which impose mandatory human rights due diligence obligations. The LkSG requires enterprises to exercise a number of due diligence obligations – from conducting risk analysis to undertaking preventive measures or remedial actions. The law is based on public enforcement via a competent authority, the Federal Office for Economic Affairs and Export Control (BAFA). The BAFA monitors and enforces compliance with the due diligence obligations. Non-compliant enterprises can be fined with up to 800,000 Euros and, in some cases, up to 2% of the annual turnover. Whilst the LkSG is an important step towards achieving greater corporate sustainability, it also has limitations. It was a political compromise and, as such, it does not include a new civil liability for non-compliance. Moreover, by default, it only applies to the enterprise’s own business area and its direct suppliers, whereas indirect suppliers are only included where the enterprise has substantiated knowledge that an obligation has been violated.
The DECIMER.ai Project
(2024)
Over the past few decades, the number of publications describing chemical structures and their metadata has increased significantly. Chemists have published the majority of this information as bitmap images along with other important information as human-readable text in printed literature and have never been retained and preserved in publicly available databases as machine-readable formats. Manually extracting such data from printed literature is error-prone, time-consuming, and tedious. The recognition and translation of images of chemical structures from printed literature into machine-readable format is known as Optical Chemical Structure Recognition (OCSR). In recent years, deep-learning-based OCSR tools have become increasingly popular. While many of these tools claim to be highly accurate, they are either unavailable to the public or proprietary. Meanwhile, the available open-source tools are significantly time-consuming to set up. Furthermore, none of these offers an end-to-end workflow capable of detecting chemical structures, segmenting them, classifying them, and translating them into machine-readable formats.
To address this issue, we present the DECIMER.ai project, an open-source platform that provides an integrated solution for identifying, segmenting, and recognizing chemical structure depictions within the scientific literature. DECIMER.ai comprises three main components: DECIMER-Segmentation, which utilizes a Mask-RCNN model to detect and segment images of chemical structure depictions; DECIMER-Image Classifier EfficientNet-based classification model identifies which images contain chemical structures and DECIMER-Image Transformer which acts as an OCSR engine which combines an encoder-decoder model to convert the segmented chemical structure images into machine-readable formats, like the SMILES string.
A key strength of DECIMER.ai is that its algorithms are data-driven, relying solely on the training data to make accurate predictions without any hand-coded rules or assumptions. By offering this comprehensive, open-source, and transparent pipeline, DECIMER.ai enables automated extraction and representation of chemical data from unstructured publications, facilitating applications in chemoinformatics and drug discovery.
Purpose
So far, there are several approaches of measuring the Dark Triad traits, but still all of them are
personality questionnaires with at least questionable usability for applied contexts such as Human
Resource Management.
The purpose of the study is the development of a structured interview with the aim of measuring the Dark Triad in a rather qualitative way that increases social validity for the respondents.
Design/Methodology/Approach/Intervention
In the present study, 15 executives from the telecommunications industry were interviewed on their personal evaluation of management success and derailment. Afterwards, their personality traits of the Dark Triad were measured with the help of the Short Dark Triad Scale. Subsequently, the data from qualitative and quantitative research were examined for correlations using the mixed-method approach.
Results
The results of the mixed-method approach showed a statistically significant correlation between the Short Dark Triad Scale and the ratings for narcissism, Machiavellianism and subclinical psychopathy in the Dark Triad interview.
Limitations
Replicating the results in a bigger sample and a deeper investigation of the criterion-related validity as well as an integration of multiple raters can provide more confidence in our results.
Research/Practical Implications
Structured interviews allow the measurement of personality traits in a more convenient way especially in personnel selection and development processes. Identifying subclinical traits in leadership candidates can, e.g. prevent management derailment.
Originality/Value
The present study advances the measurement methods of the Dark Triad.
Purpose
Although the systemic approach to the leadership concept seems to fit well into our modern complex and dynamic work environment, only little research has been conducted to define and assess systemic leadership. In this study we therefore developed and assessed criterion validity of the
multidimensional systemic leadership inventory (SLI, Sülzenbrück & Externbrink, 2017).
Methodology
We conducted two cross-sectional survey among managers and employees of various organizations (N = 143 and N = 150).
Results
We found a robust five-factor structure of the SLI, comprising systemic thinking, self-knowledge, solution-oriented communication, creating meaning and delegation. Regarding criterion validity, a significant positive correlation of systemic leadership was found with affective commitment, while a significant negative correlation with emotional strain in occupational contexts occurred. These overall positive outcomes for employees were not undermined by negative personality traits of the employee (Machiavellianism), while strong growth need strength further enhanced positive effects on affective commitment.
Limitations
Since all variables were measured as self-reports, common method variance could limit our findings.
Practical Implications
Systemic leadership is a very promising new approach for leaders to ensure committed and less strained employees.
Value
Systemic leadership, especially in terms of a leaders’ understanding of organizational and private systems influencing work behaviour of all members of an organization, is a promising novel leadership model suitable to address challenges of complex and dynamic work environments.
A systematic method for obtaining a novel electrode structure based on PtCoMn ternary alloy catalyst supported on graphitic carbon nanofibers (CNF) for hydrogen evolution reaction (HER) in acidic media is proposed. Ternary alloy nanoparticles (Co0.6Mn0.4 Pt), with a mean crystallite diameter under 10 nm, were electrodeposited onto a graphitic support material using a two-step pulsed deposition technique. Initially, a surface functionalisation of the carbon nanofibers is performed with the aid of oxygen plasma. Subsequently, a short galvanostatic pulse electrodeposition technique is applied. It has been demonstrated that, if pulsing current is employed, compositionally controlled PtCoMn catalysts can be achieved. Variations of metal concentration ratios in the electrolyte and main deposition parameters, such as current density and pulse shape, led to electrodes with relevant catalytic activity towards HER. The samples were further characterised using several physico-chemical methods to reveal their morphology, structure, chemical and electrochemical properties. X-ray diffraction confirms the PtCoMn alloy formation on the graphitic support and energy dispersive X-ray spectroscopy highlights the presence of the three metallic components from the alloy structure. The preliminary tests regarding the electrocatalytic activity of the developed electrodes display promising results compared to commercial Pt/C catalysts. The PtCoMn/CNF electrode exhibits a decrease in hydrogen evolution overpotential of about 250 mV at 40 mA cm−2 in acidic solution (0.5 M H2SO4) when compared to similar platinum based electrodes (Pt/CNF) and a Tafel slope of around 120 mV dec−1, indicating that HER takes place under the Volmer-Heyrovsky mechanism.
Three dinuclear zinc carboxylate complexes [L1−3Zn(μ,η2-O2CPh)]2 (1, 2, 4) containing either the bidentate N,N′-chelating β-diketiminate ligand RNC(Me)C(H)C(Me)NR (R = 2,6-iPr2-C6H3, L1, complex 1), the tridentate O,N,N-chelating ligand OC(Me)C(H)C(Me)NCH2CH2NMe2 (L2, complex 2) or the bis-N,N′-chelating bis-β-diketiminate ligand RNC(Me)C(H)C(Me)NNC(Me)C(H)C(Me)NR (R = 2,6-iPr2-C6H3, L3, complex 4) were synthesized and characterized including single-crystal X-ray diffraction. Reaction of the neutral bis-β-diketimine (L3(H)2) with two equivalents of ZnMe2 leads to the expected heteroleptic dinuclear zinc complex L3(ZnMe)2 3 in 93 % yield. Further reaction with benzoic acid PhCO2H leads to complex 4. Complex 2 forms a rather strong carboxylate-bridged dimer, whereas the carboxylate groups in complexes 1 and 4 act as asymmetrical bridges between both Zn atoms, pointing to the formation of a weakly bonded dimer. The zinc atoms in 1 and 4 are tetrahedrally coordinated, whereas in 2 the coordination number is increased to five due to the coordination of the pendant donor arm. The ring opening polymerization (ROP) of rac-lactide was investigated with the zinc complexes 1–4 and diazabicycloundec-7-ene (DBU) as a co-catalyst. Complexes 2 and 3 are active polymerization catalysts, which in the presence of DBU converted 200 equiv. of rac-lactide into polylactide within 10 min at ambient temperature. The analysis of the crude polymer showed that the lactide polymerization with catalyst 2 occurs via a slightly modified activated-monomer mechanism.
Tunneling two-level systems (TLSs) are ubiquitous in amorphous solids, and form a major source of noise in systems such as nano-mechanical oscillators, single electron transistors, and superconducting qubits. Occurance of defect tunneling despite their coupling to phonons is viewed as a hallmark of weak defect-phonon coupling. This is since strong coupling to phonons results in significant phonon dressing and suppresses tunneling in two-level tunneling defects effectively. Here we determine the dynamics of a tunneling defect in a crystal strongly coupled to phonons incorporating the full 3D geometry in our description. Wefind that inversion symmetric tunneling is not dressed by phonons whereas other tunneling pathways are dressed by phonons and, thus, are suppressed by strong defect-phonon coupling. We provide the linear acoustic and dielectric response functions for a tunneling defect in a crystal for strong defect-phonon coupling. This allows direct experimental determination of the defect-phonon coupling. The singling out of inversion-symmetric tunneling states in single tunneling defects is complementary to their dominance of the low energy excitations in strongly disordered solids as a result of inter-defect interactions for large defect concentrations. This suggests that inversion symmetric TLSs play a unique role in the low energy properties of disordered solids.
We study the nonequilibrium dynamics of a quantum system under the influence of two noncommuting fluctuation sources, i.e., purely dephasing fluctuations and relaxational fluctuations. We find that increasing purely dephasing fluctuations suppress increasing relaxation in the quantum system. This effect is further enhanced when both fluctuation sources are fully correlated. These effects arise for medium to strong primary fluctuations already when the secondary fluctuations are weak due to their noncommuting coupling to the quantum system. Dephasing, in contrast, is increased by increasing any of the two fluctuations. Fully correlated fluctuations result in overdamping at much lower system-bath coupling than uncorrelated noncommuting fluctuations. In total, we observe that treating subdominant secondary environmental fluctuations perturbatively leads, as neglecting them, to erroneous conclusions.
The two-state two-path model is introduced as a minimized model to describe the quantum dynamics of an electronic wave packet in the vicinity of a conical intersection. It involves two electronic potential energy surfaces each of which hosts a pair of quasi-classical trajectories over which the wave packet is assumed to be delocalized. When both trajectories evolve dynamically either diabatically or adiabatically, the full wave packet dynamics shows only features of the dynamics around avoided level crossings in the vicinity of the conical intersection. When one trajectory evolves adiabatically whereas the other trajectory follows a diabatic evolution, quantum mechanical interference of the wave packet components on each path generates Stueckelberg oscillations in the transition probability. These are surprisingly robust against a dissipative environment and, thus, should be a marker for conical intersections.
The two-state two-path model is introduced as a minimized model to describe the quantum dynamics of an electronic wave packet in the vicinity of a conical intersection. It involves two electronic potential energy surfaces each of which hosts a pair of quasi-classical trajectories over which the wave packet is assumed to be delocalized. When both trajectories evolve dynamically either diabatically or adiabatically, the full wave packet dynamics shows only features of the dynamics around avoided level crossings in the vicinity of the conical intersection. When one trajectory evolves adiabatically whereas the other trajectory follows a diabatic evolution, quantum mechanical interference of the wave packet components on each path generates Stueckelberg oscillations in the transition probability. These are surprisingly robust against a dissipative environment and, thus, should be a marker for conical intersections.
Studies on Pulse Electrodeposition of Pt-Ni binary Alloy For Electrochemical Cell Applications
(2018)
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.
Streptavidin-coated TiO2 surfaces are biologically inert: Protein adsorption and osteoblast adhesion
(2012)
Non‐fouling TiO2 surfaces are attractive for a wide range of applications such as biosensors and medical devices, where biologically inert surfaces are needed. Typically, this is achieved by controlled surface modifications which prevent protein adsorption. For example, polyethylene glycol (PEG) or PEG‐derived polymers have been widely applied to render TiO2 surfaces biologically inert. These surfaces have been further modified in order to achieve specific bio‐activation. Therefore, there have been efforts to specifically functionalize TiO2 surfaces with polymers with embedded biotin motives, which can be used to couple streptavidin for further functionalization. As an alternative, here a streptavidin layer was immobilized by self‐assembly directly on a biotinylated TiO2 surface, thus forming an anti‐adhesive matrix, which can be selectively bio‐activated. The anti‐adhesive properties of these substrates were analyzed by studying the interaction of the surface coating with fibronectin, lysozym, and osteoblast cells using surface plasmon resonance spectroscopy, atomic force microscopy, and light microscopy. In contrast to non‐modified TiO2 surfaces, streptavidin‐coated TiO2 surfaces led to a very biologically inert substrate, making this type of surface coating a promising alternative to polymer coatings of TiO2 surfaces.
Streptavidin is a 58 kDa tetrameric protein with the highest known affinity to biotin with a wide range of applications in bionanotechnology and molecular biology. Dissolved streptavidin is stable at a broad range of temperature, pH, proteolytic enzymes and exhibits low non‐specific binding. In this study, a streptavidin monolayer was assembled directly on a biotinylated TiO2‐surface to investigate its stability against proteolytic digestion and its suppression of initial bacterial adsorption of Escherichia coli, Bacillus subtilis, and Streptococcus intermedius. In contrast to nonmodified TiO2 surfaces, streptavidin‐coated substrates showed only a negligible non‐specific protein adsorption at physiological protein concentrations as well as a significantly reduced bacterial adhesion. The antiadhesive properties were demonstrated to be the main reason for the suppression of bacterial adhesion, which makes this approach a promising option for future surface biofunctionalization applications.
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.
Social innovations «meet social needs», are «good for society» and «enhance society’s capacity to act». But what does their rising importance tell us about the current state of public policy in Europe and its effectiveness in achieving social and economic goals? Some might see social innovation as a critique of public intervention, filling the gaps left by years of policy failure. Others emphasise the innovative potential of cross-boundary collaboration between the public sector, the private sector, the third sector and the household.
This paper explores the conditions under which the state either enables or constrains effective social innovation by transcending the boundaries between different actors. We argue that social innovation is closely linked to public sector innovation, particularly in relation to new modes of policy production and implementation, and to new forms of organisation within the state that challenge functional demarcations and role definitions.
Stereo Camera Setup for 360° Digital Image Correlation to Reveal Smart Structures of Hakea Fruits
(2024)
About forty years after its first application, digital image correlation (DIC) has become an established method for measuring surface displacements and deformations of objects under stress. To date, DIC has been used in a variety of in vitro and in vivo studies to biomechanically characterise biological samples in order to reveal biomimetic principles. However, when surfaces of samples strongly deform or twist, they cannot be thoroughly traced. To overcome this challenge, different DIC setups have been developed to provide additional sensor perspectives and, thus, capture larger parts of an object’s surface. Herein, we discuss current solutions for this multi-perspective DIC, and we present our own approach to a 360 DIC system based on a single stereo-camera setup. Using this setup, we are able to characterise the desiccation-driven opening mechanism of two woody Hakea fruits over their entire surfaces. Both the breaking mechanism and the actuation of the two valves in predominantly dead plant material are models for smart materials. Based on these results, an evaluation of the setup for 360 DIC regarding its use in deducing biomimetic principles is given. Furthermore, we propose a way to improve and apply the method for future measurements.
Steps Towards an Open All-in-one Rich-Client Environment for Particle-Based Mesoscopic Simulation
(2018)
The set of transactions that occurs on the public ledger of an Ethereum network in a specific time frame can be represented as a directed graph, with vertices representing addresses and an edge indicating the interaction between two addresses.
While there exists preliminary research on analyzing an Ethereum network by the means of graph analysis, most existing work is focused on either the public Ethereum Mainnet or on analyzing the different semantic transaction layers using static graph analysis in order to carve out the different network properties (such as interconnectivity, degrees of centrality, etc.) needed to characterize a blockchain network. By analyzing the consortium-run bloxberg Proof-of-Authority (PoA) Ethereum network, we show that we can identify suspicious and potentially malicious behaviour of network participants by employing statistical graph analysis. We thereby show that it is possible to identify the potentially malicious
exploitation of an unmetered and weakly secured blockchain network resource. In addition, we show that Temporal Network Analysis is a promising technique to identify the occurrence of anomalies in a PoA Ethereum network.
This report gives a brief overview to the state of the art of PEM fuel cell technology and a description of a newly developed fuel cell stack concept. One main research activity at the Westphalian Energy Institute of the Westphalian University of Applied Sciences is the development of PEM fuel cells, for which a range of different materials have been investigated for fuel cell pole plate construction. Whereas graphite is a material which has suitable properties concerning conductivity as well as manufacturing e.g. for milling, stainless steel foils are suitable for economical hydroforming processes. However, with steel coating is necessary to increase corrosion resistance as well as electrical conductivity. A new fuel cell stack design is currently under development using separated single fuel cells with hydraulic cell compression. The advantages of this stack concept are modularity, effective heat exchanging and constant, uniform cell compression which are further described in this work.
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.
When a hydrophilic solute in water is suddenly turned into a hydrophobic species, for instance, by photoionization, a layer of hydrated water molecules forms around the solute on a time scale of a few picoseconds. We study the dynamic buildup of the hydration shell around a hydrophobic solute on the basis of a time-dependent dielectric continuum model. Information about the solvent is spectroscopically extracted from the relaxation dynamics of a test dipole inside a static Onsager sphere in the nonequilibrium solvent. The growth process is described phenomenologically within two approaches. First, we consider a time-dependent thickness of the hydration layer that grows from zero to a finite value over a finite time. Second, we assume a time-dependent complex permittivity within a finite layer region around the Onsager sphere. The layer is modeled as a continuous dielectric with a much slower fluctuation dynamics. We find a time-dependent frequency shift down to the blue of the resonant absorption of the dipole, together with a dynamically decreasing line width, as compared to bulk water. The blue shift reflects the work performed against the hydrogen-bonded network of the bulk solvent and is a directly measurable quantity. Our results are in agreement with an experiment on the hydrophobic solvation of iodine in water.