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- ItemApplication of Matched-Filter Concepts to Unbiased Selection of Data in Pump-Probe Experiments with Free Electron Lasers(Basel : MDPI, 2017-06-16) Callegari, Carlo; Takanashi, Tsukasa; Fukuzawa, Hironobu; Motomura, Koji; Iablonskyi, Denys; Kumagai, Yoshiaki; Mondal, Subhendu; Tachibana, Tetsuya; Nagaya, Kiyonobu; Nishiyama, Toshiyuki; Matsunami, Kenji; Johnsson, Per; Piseri, Paolo; Sansone, Giuseppe; Dubrouil, Antoine; Reduzzi, Maurizio; Carpeggiani, Paolo; Vozzi, Caterina; Devetta, Michele; Faccialà, Davide; Calegari, Francesca; Castrovilli, Mattea; Coreno, Marcello; Alagia, Michele; Schütte, Bernd; Berrah, Nora; Plekan, Oksana; Finetti, Paola; Ferrari, Eugenio; Prince, Kevin; Ueda, KiyoshiPump-probe experiments are commonly used at Free Electron Lasers (FEL) to elucidate the femtosecond dynamics of atoms, molecules, clusters, liquids and solids. Maximizing the signal-to-noise ratio of the measurements is often a primary need of the experiment, and the aggregation of repeated, rapid, scans of the pump-probe delay is preferable to a single long-lasting scan. The limited availability of beamtime makes it impractical to repeat measurements indiscriminately, and the large, rapid flow of single-shot data that need to be processed and aggregated into a dataset, makes it difficult to assess the quality of a measurement in real time. In post-analysis it is then necessary to devise unbiased criteria to select or reject datasets, and to assign the weight with which they enter the analysis. One such case was the measurement of the lifetime of Intermolecular Coulombic Decay in the weakly-bound neon dimer. We report on the method we used to accomplish this goal for the pump-probe delay scans that constitute the core of the measurement; namely we report on the use of simple auto- and cross-correlation techniques based on the general concept of “matched filter”. We are able to unambiguously assess the signal-to-noise ratio (SNR) of each scan, which then becomes the weight with which a scan enters the average of multiple scans. We also observe a clear gap in the values of SNR, and we discard all the scans below a SNR of 0.45. We are able to generate an average delay scan profile, suitable for further analysis: in our previous work we used it for comparison with theory. Here we argue that the method is sufficiently simple and devoid of human action to be applicable not only in post-analysis, but also for the real-time assessment of the quality of a dataset.
- ItemPlasma-derived reactive species shape a differentiation profile in human monocytes(Basel : MDPI, 2019) Freund, Eric; Moritz, Juliane; Stope, Matthias; Seebauer, Christian; Schmidt, Anke; Bekeschus, SanderBackground: Monocyte-derived macrophages are key regulators and producers of reactive oxygen and nitrogen species (ROS/RNS). Pre-clinical and clinical studies suggest that cold physical plasma may be beneficial in the treatment of inflammatory conditions via the release of ROS/RNS. However, it is unknown how plasma treatment affects monocytes and their differentiation profile. Methods: Naïve or phorbol-12-myristate-13-acetate (PMA)-pulsed THP-1 monocytes were exposed to cold physical plasma. The cells were analyzed regarding their metabolic activity as well as flow cytometry (analysis of viability, oxidation, surface marker expression and cytokine secretion) and high content imaging (quantitative analysis of morphology. Results: The plasma treatment affected THP-1 metabolisms, viability, and morphology. Furthermore, a significant modulation CD55, CD69, CD271 surface-expression and increase of inflammatory IL1β, IL6, IL8, and MCP1 secretion was observed upon plasma treatment. Distinct phenotypical changes in THP-1 cells arguing for a differentiation profile were validated in primary monocytes from donor blood. As a functional outcome, plasma-treated monocytes decreased the viability of co-cultured melanoma cells to a greater extent than their non-treated counterparts. Conclusions: Our results suggest plasma-derived ROS/RNS shaped a differentiation profile in human monocytes as evidenced by their increased inflammatory profile (surface marker and cytokines) as well as functional outcome (tumor toxicity). © 2019 by the authors.
- ItemDynamic Single-Fiber Pull-Out of Polypropylene Fibers Produced with Different Mechanical and Surface Properties for Concrete Reinforcement(Basel : MDPI, 2021) Wölfel, Enrico; Brünig, Harald; Curosu, Iurie; Mechtcherine, Viktor; Scheffler, ChristinaIn strain-hardening cement-based composites (SHCC), polypropylene (PP) fibers are often used to provide ductility through micro crack-bridging, in particular when subjected to high loading rates. For the purposeful material design of SHCC, fundamental research is required to understand the failure mechanisms depending on the mechanical properties of the fibers and the fiber–matrix interaction. Hence, PP fibers with diameters between 10 and 30 µm, differing tensile strength levels and Young’s moduli, but also circular and trilobal cross-sections were produced using melt-spinning equipment. The structural changes induced by the drawing parameters during the spinning process and surface modification by sizing were assessed in single-fiber tensile experiments and differential scanning calorimetry (DSC) of the fiber material. Scanning electron microscopy (SEM), atomic force microscopy (AFM) and contact angle measurements were applied to determine the topographical and wetting properties of the fiber surface. The fiber–matrix interaction under quasi-static and dynamic loading was studied in single-fiber pull-out experiments (SFPO). The main findings of microscale characterization showed that increased fiber tensile strength in combination with enhanced mechanical interlocking caused by high surface roughness led to improved energy absorption under dynamic loading. Further enhancement could be observed in the change from a circular to a trilobal fiber cross-section.
- ItemOne-Step Liquid Phase Polymerization of HEMA by Atmospheric-Pressure Plasma Discharges for Ti Dental Implants(Basel : MDPI, 2021) Buxadera-Palomero, Judit; Fricke, Katja; Reuter, Stephan; Gil, Francisco Javier; Rodriguez, Daniel; Canal, CristinaDental implants can fail due to various factors, in which bad tissue integration is believed to have a significant role. Specific properties of the implant surface, such as its chemistry and roughness, are of paramount importance to address specific cell responses, such as the adsorption of proteins, as well as the adhesion and differentiation of cells, which are suitable for biomaterial and tissue engineering. In this study, an acrylate-containing coating was produced on titanium surfaces through the atmospheric pressure plasma treatment of a liquid precursor, 2-hydroxyethyl methacrylate. A hydrophilic coating was obtained, showing retention of the monomer chemistry as assessed by FTIR analysis and XPS. Enhanced fibroblast adhesion and decreased Staphylococcus aureus and Escherichia coli adhesion were recorded, showing that this is a suitable method to produce biocompatible coatings with a reduced bacterial adhesion.
- ItemEfficient calculation methods for the diffusion coefficient of interstitial solutes in dilute alloys(Basel : MDPI, 2019) Wang, Xiaoshuang; Faßbender, Jürgen; Posselt, MatthiasIn the example of oxygen diffusion in dilute ferritic iron alloys it is shown that the calculation of the diffusion coefficient can be separated into a contribution related to the migration in the interaction region between oxygen and the substitutional solute and a part related to diffusion in pure body centered cubic (bcc) Fe. The corresponding diffusion times are determined by analytical expressions using Density-Functional-Theory (DFT) data for the respective binding energies. The diffusion coefficient in the interaction region must be determined by atomistic kinetic Monte Carlo (AKMC) simulations with DFT values for the migration barriers as input data. In contrast to previous calculations, AKMC simulation must only be performed for one concentration of the substitutional solute, and the obtained results can be employed to obtain data for other concentrations in a very efficient manner. This leads to a tremendous decrease of computational efforts. Under certain conditions it is even possible to use analytical expressions where merely DFT data for the binding energies are needed. The limits of applicability of the presented calculation procedures are discussed in detail. The methods presented in this work can be generalized to interstitial diffusion in other host materials with small concentrations of substitutional solutes.
- ItemTopology- and Geometry-Controlled Functionalization of Nanostructured Metamaterials(Basel : MDPI, 2023) Fomin, Vladimir M.; Marquardt, Oliver[no abstract available]
- ItemA review of the potential climate change impacts and adaptation options for European viticulture(Basel : MDPI, 2020) Santos, João A.; Fraga, Helder; Malheiro, Aureliano C.; Moutinho-Pereira, José; Dinis, Lia-Tânia; Correia, Carlos; Moriondo, Marco; Leolini, Luisa; Dibari, Camilla; Costafreda-Aumedes, Sergi; Kartschall, Thomas; Menz, Christoph; Molitor, Daniel; Junk, Jürgen; Beyer, Marco; Schultz, Hans R.Viticulture and winemaking are important socioeconomic sectors in many European regions. Climate plays a vital role in the terroir of a given wine region, as it strongly controls canopy microclimate, vine growth, vine physiology, yield, and berry composition, which together determine wine attributes and typicity. New challenges are, however, predicted to arise from climate change, as grapevine cultivation is deeply dependent on weather and climate conditions. Changes in viticultural suitability over the last decades, for viticulture in general or the use of specific varieties, have already been reported for many wine regions. Despite spatially heterogeneous impacts, climate change is anticipated to exacerbate these recent trends on suitability for wine production. These shifts may reshape the geographical distribution of wine regions, while wine typicity may also be threatened in most cases. Changing climates will thereby urge for the implementation of timely, suitable, and cost-effective adaptation strategies, which should also be thoroughly planned and tuned to local conditions for an effective risk reduction. Although the potential of the different adaptation options is not yet fully investigated, deserving further research activities, their adoption will be of utmost relevance to maintain the socioeconomic and environmental sustainability of the highly valued viticulture and winemaking sector in Europe. © 2020 by the authors.
- ItemGiant extensional strain of magnetoactive elastomeric cylinders in uniform magnetic fields(Basel : MDPI, 2020) Saveliev, Dmitry V.; Belyaeva, Inna A.; Chashin, Dmitry V.; Fetisov, Leonid Y.; Romeis, Dirk; Kettl, Wolfgang; Kramarenko, Elena Yu.; Saphiannikova, Marina; Stepanov, Gennady V.; Shamonin, MikhailElongations of magnetoactive elastomers (MAEs) under ascending-descending uniform magnetic fields were studied experimentally using a laboratory apparatus specifically designed to measure large extensional strains (up to 20%) in compliant MAEs. In the literature, such a phenomenon is usually denoted as giant magnetostriction. The synthesized cylindrical MAE samples were based on polydimethylsiloxane matrices filled with micrometer-sized particles of carbonyl iron. The impact of both the macroscopic shape factor of the samples and their magneto-mechanical characteristics were evaluated. For this purpose, the aspect ratio of the MAE cylindrical samples, the concentration of magnetic particles in MAEs and the effective shear modulus were systematically varied. It was shown that the magnetically induced elongation of MAE cylinders in the maximum magnetic field of about 400 kA/m, applied along the cylinder axis, grew with the increasing aspect ratio. The effect of the sample composition is discussed in terms of magnetic filler rearrangements in magnetic fields and the observed experimental tendencies are rationalized by simple theoretical estimates. The obtained results can be used for the design of new smart materials with magnetic-field-controlled deformation properties, e.g., for soft robotics. © 2020 by the authors.
- ItemPlasma-activation of larger liquid volumes by an inductively-limited discharge for antimicrobial purposes(Basel : MDPI, 2019) Schmidt, Michael; Hahn, Veronika; Altrock, Beke; Gerling, Torsten; Gerber, Ioana Cristina; Weltmann, Klaus-Dieter; von Woedtke, ThomasA new configuration of a discharge chamber and power source for the treatment of up to 1 L of liquid is presented. A leakage transformer, energizing two metal electrodes positioned above the liquid, limits the discharge current inductively by utilizing the weak magnetic coupling between the primary and secondary coils. No additional means to avoid arcing (electric short-circuiting), e.g., dielectric barriers or resistors, are needed. By using this technique, exceeding the breakdown voltage leads to the formation of transient spark discharges, producing non-thermal plasma (NTP). These discharges effected significant changes in the properties of the treated liquids (distilled water, physiological saline solution, and tap water). Considerable concentrations of nitrite and nitrate were detected after the plasma treatment. Furthermore, all tested liquids gained strong antibacterial efficacy which was shown by inactivating suspended Escherichia coli and Staphylococcus aureus. Plasma-treated tap water had the strongest effect, which is shown for the first time. Additionally, the pH-value of tap water did not decrease during the plasma treatment, and its conductivity increased less than for the other tested liquids. © 2019 by the authors.
- ItemSemiconductor laser linewidth theory revisited(Basel : MDPI, 2021) Wenzel, Hans; Kantner, Markus; Radziunas, Mindaugas; Bandelow, UweMore and more applications require semiconductor lasers distinguished not only by large modulation bandwidths or high output powers, but also by small spectral linewidths. The theoretical understanding of the root causes limiting the linewidth is therefore of great practical relevance. In this paper, we derive a general expression for the calculation of the spectral linewidth step by step in a self-contained manner. We build on the linewidth theory developed in the 1980s and 1990s but look from a modern perspective, in the sense that we choose as our starting points the time-dependent coupled-wave equations for the forward and backward propagating fields and an expansion of the fields in terms of the stationary longitudinal modes of the open cavity. As a result, we obtain rather general expressions for the longitudinal excess factor of spontaneous emission (K-factor) and the effective α-factor including the effects of nonlinear gain (gain compression) and refractive index (Kerr effect), gain dispersion, and longitudinal spatial hole burning in multi-section cavity structures. The effect of linewidth narrowing due to feedback from an external cavity often described by the so-called chirp reduction factor is also automatically included. We propose a new analytical formula for the dependence of the spontaneous emission on the carrier density avoiding the use of the population inversion factor. The presented theoretical framework is applied to a numerical study of a two-section distributed Bragg reflector laser.