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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.
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.
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.
The diffusion of hydrogen adsorbed inside layered MoS2 crystals has been studied by means of quasi- elastic neutron scattering, neutron spin-echo spectroscopy, nuclear reaction analysis, and X-ray photoelectron spectroscopy. The neutron time-of-flight and neutron spin-echo measurements demonstrate fast diffusion of hydrogen molecules parallel to the basal planes of the two dimensional crystal planes. At room temperature and above, this intra-layer diffusion is of a similar speed to the surface diffusion that has been observed in earlier studies for hydrogen atoms on Pt surfaces. A significantly slower hydrogen diffusion was observed perpendicular to the basal planes using nuclear reaction analysis.
Background: Emotions play a central role in mental disorder and especially in depression. They are sensed in the body, and it has recently been shown in healthy participants that these sensations can be differentiated between emotions. The aim of the current study was to assess bodily sensations for basic emotions induced by emotion eliciting pictures in depression.
Methods: 30 healthy controls (HC), 30 individuals suffering from Major depressive disorder (MDD) without medication use (MDDnm) and 30 individuals with MDD with medication use (MDDm) were shown emotional and neutral pictures and were asked to paint areas in an empty body silhouette where they felt an increase or decrease in activation. Body sensation maps were then calculated and statistical pattern recognition applied.
Results Results indicated statistically separable activation patterns for all three groups. MDDnm showed less overall activation than HCs, especially in sadness and fear, while MDDm showed stronger deactivation for all emotions than the other two groups.
Conclusions: We could show that emotion experience was associated with bodily sensations that are weaker in depression than in healthy controls and that antidepressant medication was correlated with an increased feeling of bodily deactivation.
Results give insights into the relevance for clinicians to acknowledge bodily sensations in the treatment of depression.
Biomimetics is the interdisciplinary co-operation of various scientific disciplines and fields of innovation, and it aims to solve practical problems using biological models. Biomimetic research and its fields of application are manifold, and the community is made up of a wide range of disciplines, from biologists and engineers to designers. Guidelines and standards can build a common ground for understanding of the field, communication across disciplines, present and future projects and implementation of biomimetic knowledge. Since 2015, three international standards have been published and defined terms and definitions, as well as specific applications. The scientific literature and patents in several databases were searched for citations of the published standards. Standards or technical guidelines on biomimetics are represented both in the scientific literature and in patents. However, taking into account the increasing number of publications in biomimetics, the number of publications (52) citing the international standards is low. This shows that the perception of technical rules is still underrepresented in the academic field. Greater awareness and acceptance of the importance of standards for quality assurance even in the academic environment is discussed, and active participation in the corresponding International Organization for Standardization committee on biomimetics is asked for.
A qualitative work‐flow analysis of a neurosurgical procedure indicates that the resolution of the image used to plan the intervention is the major source of inaccuracy. Quantitative experimental measurements confirm this observation. They fail, however, to explain the relationship between the accuracy of the frame components involved in a stereotactic procedure and the overall application accuracy. This investigation shows that the novel Gaussian approach is a flexible framework for the calculation of the application accuracy of frame systems. Therefore, the Gaussian approach provides a detailed understanding of the interplay between the various factors affecting accuracy. The basic ideas and limitations of the Gaussian approach are briefly explained. The effect of fiducial marker distribution and registration is investigated and shown to introduce a spatial dependence to the accuracy. The results of the Gaussian approach are compared with experimental data for three stereotactic frame devices: Leksell G, Cosman–Roberts–Wells, and Brown–Roberts–Wells. Although the Gaussian approach is an approximation, it reproduces the accuracy measured in the experiment within the statistical error of that experiment. Comp Aid Surg 4:77–86 (1999). © 1999 Wiley‐Liss, Inc.
We study the impact of underdamped intramolecular vibrational modes on the efficiency of the excitation energy transfer in a dimer in which each state is coupled to its own underdamped vibrational mode and, in addition, to a continuous background of environmental modes. For this, we use the numerically exact hierarchy equation of motion approach. We determine the quantum yield and the transfer time in dependence of the vibronic coupling strength, and in dependence of the damping of the incoherent background. Moreover, we tune the vibrational frequencies out of resonance with the excitonic energy gap. We show that the quantum yield is enhanced by up to 10% when the vibrational frequency of the donor is larger than at the acceptor. The vibronic energy eigenstates of the acceptor acquire then an increased density of states, which leads to a higher occupation probability of the acceptor in thermal equilibrium. We can conclude that an underdamped vibrational mode which is weakly coupled to the dimer fuels a faster transfer of excitation energy, illustrating that long-lived vibrations can, in principle, enhance energy transfer, without involving long-lived electronic coherence.
Synergien
(2020)
BGH, 24.01.2020 - V ZR 155/18: Gewohnheitsrecht kann im Einzelfall kein Notwegerecht begründen
(2020)
Nerzzucht mit Hindernissen – oder: alle juristischen Auslegungskriterien plus Analogie in einem Fall
(2020)
The activated sludge respiration inhibition test and the luminescent bacteria test with Vibrio fischeri are important bacterial test systems for evaluation of the toxicity of chemical compounds. These test systems were further optimized to result in better handling, reliability and sensitivity. Concerning the Vibrio fischeri test, media components such as yeast extract and bivalent cation concentrations like Ca2+ and Mg2+ were optimized. The cultivation, storage conditions and reactivation process of the stored bacteria were also improved, which enabled simpler handling and led to good reproducibility. Additionally, the respiration inhibition test with a prolonged incubation time was further analyzed using different chlorinated phenols as reference compounds. It could be stated that a longer incubation period significantly improved the sensitivity of the test system.
Stereotactic frame systems are widely used in neurosurgery. The accuracy of frame devices is considered as a gold standard to which the accuracy of new frameless stereotactic navigation systems is compared. The purpose of this study is to develop a general approach for the prediction of the application accuracy of stereotactic systems. The approach will be applied to the frame‐based biopsy performed with three frame devices: Leksell G, Cosman–Roberts–Wells (CRW), and Brown–Roberts–Wells (BRW). A work‐flow analysis will be carried out demonstrating that the accuracy relevant for a clinical application comprises several error sources including imaging, target and entry point selection, image to frame coordinates registration, and the setting of mechanical parameters of the frame. These error sources will be postulated to obey a Gaussian distribution probability density. The linear, i.e., Gaussian, error propagation, will be used to link all error contributions thus to calculate the cumulative accuracy of the frame used in the application. Although the Gaussian approach is an approximation, it allows for an analytical treatment of the accuracy. Both the accuracy at the target point and the accuracy of the probe needle guidance along the planned trajectory have been investigated. Of great significance is the relationship found between accuracy, pixel dimension, and image slice thickness, the latter being the dominant factor for slices of more than 1.5 mm thickness, yielding inaccuracies larger than 1.5 mm. For target points the predictions for the application accuracy have been compared to the results of measurements, showing good agreement with the experimental data.
Three-dimensional magnetic resonance medical images may contain scanner- and patient-induced geometric distortion. For qualitative diagnosis, geometric errors of a few millimeters are often tolerated. However, quantitative applications such as image-guided neurosurgery and radiotherapy can require an accuracy of a millimeter or better. We have developed a method to accurately measure scanner-induced geometric distortion and to correct the MR images for this type of distortion. The method involves a number of steps. First, a specially designed phantom is scanned that contains a large number of reference structures on positions with a manufacturing error of less than 0.05 mm. Next, the positions of the reference structures are automatically detected in the scanned images and a higher-order polynomial distortion-correction transformation is estimated. Then the patient is scanned and the transformation is applied to correct the patient images for the detected distortion. The distortion-correction method is explained in detail in this paper. The accuracy of the method has been measured with synthetically generated phantom scans that contain an exactly-known amount and type of distortion. The reproducibility of the method has been measured by applying it to a series of consecutive phantom scans. Validation results are briefly described in this paper, a more-detailed description is given in another submission to SPIE Medical Imaging 2001.
Protraction Effects in a Stochastic Cell-Cycle Tumor Model Exposed to Fractionated Radiotherapy
(2013)
Brand Purpose in aller Munde. Was gilt es in der werthaltigen Kommunikation von Marken zu beachten?
(2020)
Unternehmen positionieren sich gern mit Bezug auf die gesellschaftliche Relevanz ihres Unternehmenszwecks. Diese Orientierung findet sich zunehmend auch in der Kommunikation auf Markenebene. Statt den Produktnutzen zu betonen, liefert die Markenkommunikation Input zu gesellschaftlichen Debatten wie Gleichstellung oder Nachhaltigkeit. Unter dem Stichwort „Brand Purpose“ zeigen Beratungen und Agenturen gern auf, wie positiv diese Art der Kommunikation von Konsumenten und Stakeholdern eingestuft wird. Erste Stimmen gehen davon aus, dass sich diese Tendenzen nach der Coronakrise noch verstärken werden. Doch was bringt die Konzentration auf Sinnstiftung tatsächlich der Marke? Studien weisen darauf hin, dass eine reine Konzentration in der Kommunikation auf Zweck und Sinn einer Marke die Geschäftsentwicklung nicht unbedingt positiver beeinflussen muss als klassische Produktkommunikation und im schlimmsten Fall sogar kontraproduktiv wirken kann. Der Beitrag untersucht deshalb die Frage, welche Voraussetzungen erfüllt sein müssen, damit wertorientierte Kommunikation tatsächlich einen Mehrwert für die Marke bieten kann.
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.
Studies on Pulse Electrodeposition of Pt-Ni binary Alloy For Electrochemical Cell Applications
(2018)
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.
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.
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.
Der EuGH senkt den Daumen für den Facebook-Like Button. Eine Lektion in Datenschutzverantwortung
(2019)
Building Information Modeling (BIM) wird im Bauwesen immer stärker gefordert. Der vorliegende Artikel befasst sich mit dem Datenaustausch für die TGA. Am Beispiel eines RLT-Gerätes werden der Detaillierungsgrad und der Datenaufbau mit IFC erläutert. Insbesondere zeigt sich hierbei, dass der Datenimport aufgrund fehlender Standards und Definitionen mit Datenverlust einhergeht. Damit ergibt sich ein Auftrag an die Softwareunternehmen hier für eindeutige Standards zu sorgen.
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.
TGA-Planung mit BIM-Objekten
(2019)
Die BIM-Methode erfasst in Deutschland mittlerweile alle Gewerke im Bauhauptgewerbe. Für die TGA-Branche hat sich gezeigt, dass die Priorität der Produkthersteller auf der Bereitstellung der Geometriedaten liegt. Weiterführende Metadaten und Attribute (z. B. Material, Masse, Preise, Leistungsdaten) sind oftmals nur in reduzierter Form oder gar nicht vorhanden. An exemplarischen Beispielen von RLT-Reräten und Komponenten werden die geometrischen und semantischen Möglichkeiten beim IFC-Format untersucht.
RLT-Geräte werden meist auf eine Lebensdauer von 15 Jahren ausgelegt. Die Erfahrung zeigt jedoch, dass viele Anlagen mehr oder weniger unverändert bis zu 25 Jahren betrieben werden. Damit müssen aktuell projektierte RLT-Anlagen auch bei dem erwarteten Klimawandel die gewünschten Zuluftparameter (Temperatur und Luftfeuchte) einhalten. Der Artikel untersjucht den einfluss des Klimawandels für Deutschland bezogen auf die Klimatisierung einer exemplarischen Krankenhausintensivstation.
In this research computer tomography (CT) iterative reconstruction (IR) algorithms are investigated, specifically the impact of their statistical and model-based strength on image quality in low-dose lung screening CT protocols in comparison to filtered back projection (FBP). It has been probed whether statistical, model-based IR in conjunction with low-dose, and ultra-low-dose protocols are suitable for lungcancer screening. To this end, artificial lung nodules shaped as spheres and spicules made from material with calibrated Hounsfield units (HU) were attached on marked positions in the lung structure of an anthropomorphic phantom. Nodule positions were selected by distinguished radiologists. The phantom with nodules was scanned on a CT Scanner using standard high contrast (SHC), low-dose (LD) and ultra low-dose (ULD) protocol. For reconstruction FBP and the IR algorithm ADMIRE at three different …
The purpose of this work was to develop and investigate a radiofrequency (RF) coil to perform image studies on small animals using the 7T magnetic resonance imaging (MRI) system, installed in the imaging platform in the autopsy room (Portuguese acronym PISA), at the University of Sao Paulo, Brazil, which is the unique 7T MRI scanner installed in South America. Due to a high demand to create new specific coils for this 7T system, it is necessary to carefully assess the distribution of electromagnetic (EM) fields generated by the coils and evaluate the patient/object safety during MRI procedures. To achieve this goal 3D numerical methods were used to design and analyse a 8-rungs transmit/receive linearly driven birdcage coil for small animals. Calculated magnetic field (B 1) distributions generated by the coil were crosschecked with measured results, indicating good confidence in the simulated results.
In this paper, the effect of computed tomography (CT) values of metals in 12-bit and 16-bit extended Hounsfield Unit (EHU) scale on dose calculations in radiotherapy treatment planning systems (TPS) were quantified. Dose simulations for metals in water environment were performed with the software PRIMO in 6MV photon mode. The depth dose profiles were analysed and the relative dose differences between the metals determined with 12-bit and 16-bit CT imaging, respectively, were calculated. Maximum dose differences of ΔAl= 3.0%, ΔTi= 4.5%, ΔCr= 6.2% and ΔCu= 11.6% were measured. In order to increase the accuracy of dose calculation on patients with implants, CT imaging in the EHU scale is recommended.