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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.
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.
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.
We study a quantum two-level system under the influence of two independent baths, i.e., a sub-Ohmic pure dephasing bath and an Ohmic or sub-Ohmic relaxational bath. We show that cooling such a system invariably polarizes one of the two baths. A polarized relaxational bath creates an effective asymmetry. This asymmetry can be suppressed by additional dephasing noise. This being less effective, the more dominant low frequencies are in the dephasing noise. A polarized dephasing bath generates a large shift in the coherent oscillation frequency of the two-level system. This frequency shift is little affected by additional relaxational noise nor by the frequency distribution of the dephasing noise itself. As our model reflects a typical situation for superconducting phase qubits, our findings can help optimize cooling protocols for future quantum electronic devices.
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.
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.
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.
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 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.
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.
Studies on Pulse Electrodeposition of Pt-Ni binary Alloy For Electrochemical Cell Applications
(2018)
The technology of polymer electrolyte membrane (PEM) electrolysis provides an efficient way to produce hydrogen. In combination with renewable energy sources, it promises to be one of the key factors towards a carbon-free energy infrastructure in the future. Today, PEM electrolyzers with a power consumption higher than 1 MW and a gas output pressure of 30 bar (or even higher) are already commercially available. Nevertheless, fundamental research and development for an improved efficiency is far from being finally accomplished, and mostly takes place on a laboratory scale. Upscaling the laboratory prototypes to an industrial size usually cannot be achieved without facing further problems and/or losing efficiency. With our novel system design based on hydraulic cell compression, a lot of the commonly occurring problems like inhomogeneous temperature and current distribution can be avoided. In this study we present first results of an upscaling by a factor of 30 in active cell area.
Preparation, catalytical activity and crystal structure of a heptanuclear zinc acetate cluster
(2017)
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.
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.
Environmental noise leads to dephasing and relaxation in a quantum system. Often, a rigorous treatment of multiple noise sources within a system-bath approach is not possible. We discuss the influence of environmental fluctuations on a quantum system whose dynamics is dephasing already due to a phenomenologically treated additional noise source. For this situation, we develop a path-integral approach, which allows us to treat the system-environment coupling in a numerically exact way, and additionally we extend standard perturbative approaches. We observe strong deviations between the numerically exact and the perturbative results even for weak system-bath coupling. This shows that standard perturbative approaches fail for additional, even weak, system-bath couplings if the system dynamics is already dissipative.
Environmental rocking ratchet: Environmental rectification by a harmonically driven avoided crossing
(2017)
We propose a rocking ratchet designed as a symmetric quantum two-state system driven by a single periodic harmonic force and influenced symmetrically by thermal fluctuations. We show that the necessary broken symmetry can dynamically be achieved by a thermal environment that couples to the energy difference between the two states and the tunnel coupling between them. The quantum two-state system is driven by the harmonic periodic drive through its avoided crossing. The correspondingly driven dissipative quantum dynamics results on average in a finite population difference between both states. This then causes directed particle transport.
This work deals with the preparation and investigation of polymer electrolyte membrane fuel cell (PEMFC) electrodes, which are obtained using gas diffusion layers coated with graphene related material (GRM) serving as a catalyst support for platinum nanoparticles. PEMFC electrocatalysts have been prepared by pulsed electrochemical deposition of platinum particles from hexachloroplatinic acid. Prior to GRM decoration with platinum, the graphene structures are functionalized by oxygen plasma treatment. This leads to oxygen containing functional groups on the GRM outer surface, providing an improved hydrophilic behavior, thus favoring the Pt deposition process. Membrane electrode assemblies (MEAs) with the so prepared electrodes are investigated in-situ in our fuel cell test system. Polarization plots (in-situ cell performance) using these MEAs have been tested under different operational conditions.
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.
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.
Optimization of the laser remelting process for HVOF-sprayed Stellite 6 wear resistant coatings
(2016)
Cobalt base alloys are used in all industrial areas due to their excellent wear resistance. Several studies have shown that Stellite 6 coatings are suitable not only for protection against sliding wear, but also in case of exposure to impact loading. In this respect, a possible application is the protection of hydropower plant components affected by cavitation. The main problem in connection with Stellite 6 is the deposition procedure of the protective layers, both welding and thermal spraying techniques requesting special measures in order to prevent the brittleness of the coating. In this study, Stellite 6 layers were HVOF thermally sprayed on a martensitic 13-4 stainless steel substrate, as usually used for hydraulic machinery components. In order to improve the microstructure of the HVOF-sprayed coatings and their adhesion to the substrate, laser remelting was applied, using a TRUMPF Laser type HL 124P LCU and different working parameters. The microstructure of the coatings, obtained for various remelting conditions, was evaluated by light microscopy, showing the optimal value of the pulse power, which provided a homogenous Stellite 6 layer with good adhesion to the substrate.
When an open quantum system is driven by an external time-dependent force, the coupling of the driving to the central system is usually included, whereas the impact of the driving field on the bath is neglected. We investigate the effect of a quantum bath of linearly driven harmonic oscillators on the relaxation dynamics of a quantum two-level system which is not directly driven. In particular, we calculate the frequency-dependent response of the system when the bath is subject to Dirac and Gaussian driving pulses. We show that a time-retarded effective force on the system is induced by the driven bath which depends on the full history of the perturbation and the spectral characteristics of the underlying bath. In particular, when a structured Ohmic bath with a pronounced Lorentzian peak is considered, the dynamical response of the system to a driven bath is qualitatively different than that of the undriven bath. Specifically, additional resonances appear which can be directly associated with a Jaynes-Cummings-like effective energy spectrum.
Commonly, nanosystems are characterized by their response to time-dependent external fields in the presence of inevitable environmental fluctuations. The direct impact of the external driving on the environment is generally neglected. While this approach is satisfactory for macroscopic systems, on the nanoscale, an interaction of external fields with the environment is often unavoidable on principle. We extend the standard linear response theory of quantum dissipative systems to strongly driven baths. Significant modifications are found for two paradigm examples. First, we evaluate the polarizability of a molecule immersed in a strongly polarizable medium that responds to terahertz radiation. We find an increase of the molecular polarizability by about 30%. Second, we determine the response of a semiconductor quantum dot in close proximity to a metallic nanoparticle. Both are placed in a polarizable medium and exposed to electromagnetic irradiation. We show that the response of the quantum dot is qualitatively modified by the driven nanoparticle, including the generation of an additional channel of stimulated emission.
We present a scheme for cooling a vibrational mode of a magnetic molecular nanojunction by a spin-polarized charge current upon exploiting the interaction between its magnetic moment and the vibration. The spin-polarized charge current polarizes the magnetic moment of the nanoisland, thereby lowering its energy. A small but finite coupling between the vibration and the magnetic moment permits a direct exchange of energy such that vibrational energy can be transferred into the magnetic state. For positive bias voltages, this generates an effective cooling of the molecular vibrational mode. We determine parameter regimes for the cooling of the vibration to be optimal. Although the flowing charge current inevitably heats up the vibrational mode via Ohmic energy losses, we show that due to the magnetomechanical coupling, the vibrational energy (i.e, the effective phonon temperature) can be lowered below 50% of its initial value, when the two leads are polarized anti-parallel. In contrast to the cooling effect for positive bias voltages, net heating of the vibrational mode occurs for negative bias voltages. The cooling effect is enhanced for a stronger anti-parallel magnetic polarization of the leads, while the heating is stronger for a larger parallel polarization. Yet, dynamical cooling is also possible with parallel lead alignments when the two tunneling barriers are asymmetric.
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.
In an effort to better understand the various forms of social innovation, mapping has become a common and widely applied method for gaining insights into social innovation practices. The transdisciplinary nature of social innovation research has led to a plurality of distinct approaches and methods. Given the increasing interest in social innovation, and the apparent endeavour among policymakers to utilise social innovation to address current societal challenges, it is argued that mapping efforts need to be streamlined in order to make better use of their results. The article describes 17 ongoing or recently finalised research projects on social innovation and their methodological approaches on “mapping” social innovations. It provides a systematic overview on project objectives, SI definitions and mapping approaches for each of the scrutinised projects and ends with a synoptical analysis on methods, objectives and missing research.
The wireless data logger system “Cor/log® BAN BT” (CL) allows seamless 24/7 monitoring of relevant vital sign parameters. CL covers the entire period of acute point of care inside the hospital and the recovery period, when first mobility is achieved and when the patient is released into an ambulatory or homecare environment. The CL records the relevant vital signs such as ECG, respiration, pulse oximetry with plethysmogram and movement. The vital data collected with the CL data logger is saved on a memory card for further analysis and is simultaneously transmitted in real-time to a telemedicine server via a smartphone or tablet. The smartphone also provides GPS location information. In addition Cor/log View, an Android Application for viewing recorded vital sign data originating from the CL, was developed. CL has also a connector to the generic MedM health cloud. MedM is a generic patient data management system (PDMS) consisting of a cloud portal and a mobile health app. The app runs on Android, iOS and Windows. The app can connects wirelessly to the CL physiologic monitor and stores the vital signs in the cloud.
Carbon Nanofibers (CNF) are considered to be a promising catalyst support material due to their unique characteristics, excellent mechanical, electrical and structural properties, high surface area and nevertheless, good interaction with metallic catalyst particles. The possibility of preparing CNF decorated with platinum by an electrochemical method was tested, using a hexachloroplatinic bath solution. The experiments were carried out with the aid of a Potentiostat/Galvanostat Ivium Technologies Vertex, in a three – electrode cell. The aim of the present work was to determine the electrochemical surface area (ECSA) of the CNF-Pt catalysts in relation to the functionalization treatment of fibers, using an electrochemical method. ECSA for different functionalized CNF-Pt catalysts was determined by cyclic voltammetry in 0.5 M H2SO4 solution. The highest active surface of platinum was obtained for the samples with CNF functionalized by plasma treatment using 80 W for 1800 s. The obtained results correlate very well with the particles size and distribution of platinum, revealed by scanning electron microscopy (SEM) and the quantity of deposited platinum determined by thermo gravimetrical analysis (TGA) respectively. Cyclic voltammetry (CV) has been proven to be a suitable method for estimation of the ECSA of the electrocatalysts.
In the polymer electrolyte membrane fuel cells (PEMFC) state of the art, rare and expensive platinum group metals (PGM) or PGM alloys are used as catalyst material. Reduction of PGMs in PEMFC electrodes is strongly required to reach cost targets for this technology. An optimal catalyst utilization is achieved in case of nano-structured particles supported on carbon material with a large specific surface area. In this study, graphitic material, in form of carbon nanofibers (CNF), is decorated with Pt particles, serving as catalyst material for PEMFC electrodes with low Pt loading. As a novelty, the effect of oxygen plasma treatment of CNFs previously to platinum particle deposition has been studied. Electrodes are investigated in respect of the optimal morphology, microstructure as well as electrochemical properties. Therefore, samples are characterized by means of scanning electron microscopy combined with energy dispersive X-ray analysis, transmission electron microscopy, thermogravimetry, X-ray diffraction as well as X-ray fluorescence analysis. In order to determine the electrochemical active surface area of catalyst particles, cyclic voltammetry has been performed in 0.5 M sulphuric acid. Selected samples have been investigated in a PEMFC test bench according to their polarization behavior.
In this experimental work polymer electrolyte membrane fuel cell (PEMFC) electrodes are analysed, which are prepared by the use of two sorts of carbon nano fibres (CNF) serving as support material for platinum nano particles. Those CNFs, which are heat treated subsequently to their production, have a higher graphitisation degree than fibres as produced. The improved graphitisation degree leads to higher electrical conductivity, which is favourably for the use in PEMFC electrodes. Samples have been analysed, in order to determine graphitisation degree, electrical conductivity, as well as morphology and loading of the prepared electro catalyst. Membrane electrode assemblies manufactured from prepared electrodes are analysed in-situ in a PEM fuel cell test environment. It has been determined that power output for samples containing CNFs with higher graphitisation degree is increased by about 13.5%.
Platinum nanoparticles electrodeposition on carbon nanofibers (CNF) support has been performed with the purpose to obtain electrodes that can be further used especially in a polymer electrolyte membrane fuel cell (PEMFC). A pretreatment of CNF is required in order to enhance the surface energy, which simultaneously improves handling and wettability as well as interaction with the platinum cations. This step was performed using oxygen plasma functionalization. To produce CNF supported Pt catalysts, an electrochemical method was applied and the deposition parameters were adjusted to obtain nanosized platinum particles with a good distribution onto the graphitic surface. The morphology and structure of the obtained particles were investigated by scanning electron microscopy combined with energy dispersive X-Ray spectroscopy. The amount of deposited platinum was established using thermogravimetrical measurements. Cyclic voltammetry performed in 0.5 M H2SO4 solution was applied for determining the electrochemical surface area (ECSA) of the obtained electrodes.The functionalization degree of the CNF outer surface has a strong influence on the structure, distribution and amount of platinum particles. Moreover, the current densities, which were set for the deposition process influenced not only the particles size but also the platinum amount. Applying an oxygen plasma treatment of 80 W for 1800 s, the necessary degree of surface functionalization is achieved in order to deposit the catalyst particles. The best electrodes were prepared using a current density of 50 mA cm-2 during the deposition process that leads to a homogenous platinum distribution with particles size under 80 nm and ECSA over 6 cm2
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.
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.
Under ambient conditions, almost all metals are coated by an oxide. These coatings, the result of a chemical reaction, are not passive. Many of them bind, activate and modify adsorbed molecules, processes that are exploited, for example, in heterogeneous catalysis and photochemistry. Here we report an effect of general importance that governs the bonding, structure formation and dissociation of molecules on oxidic substrates. For a specific example, methanol adsorbed on the rutile TiO2(110) single crystal surface, we demonstrate by using a combination of experimental and theoretical techniques that strongly bonding adsorbates can lift surface relaxations beyond their adsorption site, which leads to a sig- nificant substrate-mediated interaction between adsorbates. The result is a complex super- structure consisting of pairs of methanol molecules and unoccupied adsorption sites. Infrared spectroscopy reveals that the paired methanol molecules remain intact and do not depro- tonate on the defect-free terraces of the rutile TiO2(110) surface.
Earwig wings are highly foldable structures that lack internal muscles. The behaviour and shape changes of the wings during flight are yet unknown. We assume that they meet a great structural challenge to control the occurring deformations and prevent the wing from collapsing. At the folding structures especially, the wing could easily yield to the pressure. Detailed microscopy studies reveal adaptions in the structure and material which are not relevant for folding purposes. The wing is parted into two structurally different areas with, for example, a different trend or stiffness of the wing veins. The storage of stiff or more flexible material shows critical areas which undergo great changes or stress during flight. We verified this with high-speed video recordings. These reveal the extent of the occurring deformations and their locations, and support our assumptions. The video recordings reveal a dynamical change of a concave flexion line. In the static unfolded state, this flexion line blocks a folding line, so that the wing stays unfolded. However, during flight it extends and blocks a second critical folding line and prevents the wing from collapsing. With these results, more insight in passive wing control, especially within high foldable structures, is gained.
The conventional quantitative method for the analysis of inorganic elements in polymer matrices is a complex and time consuming process that presents a significant risk for error. Typically, polymers are digested in a microwave oven or other devices under high temperature and pressure for several hours while employing different mixtures of high purity acids. In many cases, particularly when high concentrations of doped elements are present, the digestion is often incomplete and therefore the reproducibility depends strongly on the type of polymer and additives used. A promising alternative technology that allows for the direct analysis of these polymers without digestion is laser ablation ICP-MS. Due to a lack of available reference materials and the presence of matrix dependent effects, a precise calibration cannot be obtained. In order to compensate for the matrix dependent effects the use of internal standardization is necessary. In this study the correlation between the carbon released during the ablation process and the 13C signal detected by ICP-MS and its use as an internal standard are investigated. For this purpose, twenty-one virgin polymer materials are ablated; the released carbon is determined and correlated with the corresponding integrated 13C signal. The correlation resulted in a direct relationship between the ablated carbon and 13C signal demonstrating the potential ability to neglect at least some of the matrix dependent and transport effects which occur during the laser ablation of virgin polymers.
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 SARvalues 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.
Efficient tool to calculate two-dimensional optical spectra for photoactive molecular complexes
(2015)
Based on the fact that titanium and titanium alloys have poor fretting fatigue resistance and poor tribological properties, it is necessary to apply some surface engineering methods in order to increase the exploitation characteristics of these materials. One may either implement some surface treatment technologies or even deposit overlay coatings by thermal spraying.
The present study is focused on the achieved properties of the ceramic coatings (Al2O3 + 13 wt.% TiO2) deposited onto a titanium substrate using high velocity oxygen fuel (HVOF) and plasma spraying (APS) respectively.
The effect of the deposition method on the microstructure, phase constituents, and mechanical properties of the ceramic coatings was investigated by means of scanning electron microscopy (SEM), X-ray diffraction technique (XRD) and nanoindentation tests. The sliding wear performances of the Al2O3–TiO2 coatings were tested using a pin on disk wear tester.
BACKGROUND: In cartilage repair, scaffold-assisted single-step techniques are used to improve the cartilage regeneration. Nevertheless, the fixation of cartilage implants represents a challenge in orthopaedics, particularly in the moist conditions that pertain during arthroscopic surgery. Within the animal kingdom a broad range of species has developed working solutions to intermittent adhesion under challenging conditions. Using a top-down approach we identified promising mechanisms for biomimetic transfer OBJECTIVE: The tree-frog adhesive system served as a test case to analyze the adhesion capacity of a polyglycolic acid (PGA) scaffold with and without a structural modification in a bovine articular cartilage defect model. METHODS: To this end, PGA implants were modified with a simplified foot-pad structure and evaluated on femoral articular bovine cartilage lesions. Non-structured PGA scaffolds were used as control. Both implants were pressed on 20 mm × 20 mm full-thickness femoral cartilage defects using a dynamometer. RESULTS: The structured scaffolds showed a higher adhesion capacity on the cartilage defect than the non-structured original scaffolds. CONCLUSIONS: The results suggest that the adhesion ability can be increased by means of biomimetic structured surfaces without the need of additional chemical treatment and thus significantly facilitate primary fixation procedures.
In this study, a novel design concept for PEMFC (polymer electrolytemembrane fuel cell) stacks is presented with singlecells inserted in pockets surrounded by a hydraulic medium. Thehydraulic pressure introduces necessary compression forces to themembrane electrode assembly of each cell within a stack. Moreover, homogeneous cell cooling is achieved by this medium. First,prototypes presented in this work indicate that, upscaling of cells for the novelstack design is possible without significantperformancelosses. Due to its modularity and scalability, this stackdesign meets the requirements for large PEMFC units.
Due to high power density and superior efficiency, polymer electrolyte membrane fuel cells (PEMFC) are believed to play a significant role for carbon dioxide emissions free electrical energy systems in the future. Unlike in Carnot processes, chemical energy in the form of hydrogen and oxygen is converted directly into electrical energy without a further process step. One issue in the development of PEMFCs for mobile or stationary applications is the utilization of rare and expensive catalyst material like platinum within the membrane electrode assembly (MEA) see figure 1. In addition, the objective is to reduce production costs and to increase the lifetime of PEMFC. One approach to improve PEMFCs is the development of intelligent electrode architectures. However, cost effective high performance materials are necessary to reach the development targets.
Patient specific simulation of brain stimulation using the unfitted discontinuous galerkin method
(2015)
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.
To achieve high temperature stable insulation materials for the electrical insulation of fine copper wires two different bis(alkoxysilylalkyl)pyromellitamide acids 1 and 2 were prepared. These organic–inorganic sol–gel hybrid precursors were obtained via reactions of pyromellitic dianhydride and alkoxysilylalkylamines. The molecular single-source precursors 1 and 2 were comprehensively studied using FT-IR, 1H, 13C and 29Si NMR spectroscopy as well as elemental analyses. Besides, the hydrolysis and condensation processes of the different precursors were examined with solution 29Si NMR spectroscopy. The imidization process was investigated using 13C NMR spectroscopy, FT-IR spectroscopy as well as thermal analysis methods. The different precursors were applied to coat fine copper wires using an industrial coating device. The obtained coatings were cured at temperatures between 380 and 425 °C, and tested regarding thicknesses, number of pinholes, electrical breakdown voltage and elongation. FT-IR spectroscopy was used to determine the chemical structure and scanning electron microscopy to investigate the morphology of the coating materials. The obtained coatings showed very promising mechanical, thermal and electrical properties, i.e. highest breakdown voltage values well above 200 V/µm. They possess high flexibility without cracking and no pinholes or other defects were detected.
The adsorption and reaction of the amino acid glycine (NH2-CH2-COOH) are studied experimentally on the polar single crystal surface of zinc oxide, ZnO(000-1), by X-ray photoelectron spectroscopy (XPS) under UV light in presence and absence of molecular O2. Deposition at 350 K mainly resulted in a largely deprotonatedmonolayer (NH2-CH2-COO−(a)+OH(s); where O is surface oxygen,(a)is for adsorbed and(s)is for surface species) identified by its XPS C1s binding energy at 289.3 eV (-COO), 286.7 eV (-CH2-) and XPS O1s at 531.8 eV(-COO). A decrease in the signals of all functional groups of the adsorbed glycine (monitored by their C1s, O1s,and N1s lines) is seen upon UV excitation in the absence and presence of O2pressures up to 5 × 10−6 mbar. The photoreaction cross sections extracted from the decrease in the C1s peaks were found to be =2.6 × 10−18(COO(a)) and 1.4 × 10−18(-CH2-)cm^2. The photoactivity of the ZnO(000-1) surface under UHV-conditions is found to be comparable to that seen in direct photolysis of amino acids in solution.
We argue that effective leadership development should be evidence-based, i.e. that it combines the best available scientific evidence with
research in the specific organizational context. To illustrate our proposition, we report findings from a case study in a multinational organization. The goal was to examine which rater source in the company’s 360 degree feedback would provide the most valid information about leadership competencies. Therefore, we explored relationships between 360 degree ratings and assessment center (AC) ratings of the same leadership competencies (N=151). It was predicted that AC ratings show higher overlap with 360 degree ratings for behaviors that specific rating
sources can more easily observe in the ratees’ work life. Results showed that peers were the most accurate observers of leadership competencies in 360 degree assessments, compared to managers and subordinates. This corroborates our argument for an evidence-based instead of an
intuitive handling of 360 degree feedback results. Practical implications and avenues for future research are discussed.
The biomodification of surfaces, especially titanium, is an important issue in current biomedical research. Regarding titanium, it is also important to ensure a specific protein modification of its surface because here protein binding that is too random can be observed. Specific nanoscale architectures can be applied to overcome this problem. As recently shown, streptavidin can be used as a coupling agent to immobilize biotinylated fibronectin (bFn) on a TiOX surface. Because of the conformation of adsorbed biotinylated fibronectin on a streptavidin monolayer, it is possible to adsorb more streptavidin and biotinylated fibronectin layers. On this basis, an alternating protein multilayer can be built up. In contrast to common layer-by-layer technology, in this procedure the mechanism of layer adsorption is very specific because of the interaction of biotin and streptavidin. In addition, we showed that the assembly of this multilayer system and its stability are dependent on the degree of labeling of biotinylated fibronectin. Hence we conclude that it is possible to build up well-defined nanoscale protein architectures by varying the degree of labeling of biotinylated fibronectin.
Protraction Effects in a Stochastic Cell-Cycle Tumor Model Exposed to Fractionated Radiotherapy
(2013)
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.
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.
Gaining customer loyalty is an important goal of marketing, and loyalty programs are intended to help in reaching it. Research on loyalty programs suggests that customers differentiate between loyalty to a company and loyalty to a loyalty program, yet little is known about the consequences of these two types of loyalty. Therefore, our study intends to make two main contributions: (1) improving our understanding of the constructs “program loyalty” and “company loyalty”, (2) investigating the relative impact of the two types of loyalty on preference, intention, and purchase behavior for the case of a multi-firm loyalty program. Results indicate that company loyalty influences a customer’s choice to visit a particular provider and to prefer it over competitors, but it is not a strong predictor of purchase behavior. Conversely, program loyalty is a far more important driver of purchase behavior. This implies that company loyalty primarily attracts customers to a particular provider and program loyalty ensures that once inside the store, more money is spent.
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.
This paper makes a contribution to the discussion on microfoundations of dynamic capabilities – actions and interactions in organizations that enable continuous organizational renewal. More specifically, we propose the idea that dynamic capabilities of an organization
are a positive function of corresponding dynamic capabilities of individual and collective actors in the organization. Further, we develop the assumption that not only individual acts of managers but also of individuals and teams without managerial responsibility relate to dynamic capabilities of the organization. Following a holistic view, we also take into consideration empowering working conditions as enhancing factor of this function. To
examine these roots of dynamic capabilities, we use a multi level model of competence provided by Wilkens, Keller and Schmette (2006) that operationalizes the concept of dynamic
capabilities provided by Teece (2007) on a concisely behavioural base. We investigated our hypotheses with a standardized questionnaire in a case study of a German plant engineering company with 112 participants and found first support for our assumptions. Our results show an impact of individual dynamic capabilities on dynamic capabilities of the organization which is mediated by team dynamic capabilities. Psychological and social-structural empowerment moderated this relationship. A case-specific interpretation and implications for future research and practice are discussed.