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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.
- ItemBlending In Situ Polyurethane-Urea with Different Kinds of Rubber: Performance and Compatibility Aspects(Basel : MDPI, 2018-11-02) Tahir, Muhammad; Heinrich, Gert; Mahmood, Nasir; Boldt, Regine; Wießner, Sven; Stöckelhuber, Klaus WernerSpecific physical and reactive compatibilization strategies are applied to enhance the interfacial adhesion and mechanical properties of heterogeneous polymer blends. Another pertinent challenge is the need of energy-intensive blending methods to blend high-tech polymers such as the blending of a pre-made hard polyurethane (-urea) with rubbers. We developed and investigated a reactive blending method to prepare the outstanding blends based on polyurethane-urea and rubbers at a low blending temperature and without any interfacial compatibilizing agent. In this study, the polyurethane-urea (PUU) was synthesized via the methylene diphenyl diisocyanate end-capped prepolymer and m-phenylene diamine based precursor route during blending at 100 °C with polar (carboxylated nitrile rubber (XNBR) and chloroprene rubber (CR)) and non-polar (natural rubber (NR), styrene butadiene rubber (sSBR), and ethylene propylene butadiene rubber (EPDM)) rubbers. We found that the in situ PUU reinforces the tensile response at low strain region and the dynamic-mechanical response up to 150 °C in the case of all used rubbers. Scanning electron microscopy reveals a stronger rubber/PUU interface, which promotes an effective stress transfer between the blend phases. Furthermore, energy filtered transmission electron microscopy (EFTEM) based elemental carbon map identifies an interphase region along the interface between the nitrile rubber and in situ PUU phases of this exemplary blend type.
- 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.
- 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.
- ItemEffect of Graphite Nanoplate Morphology on the Dispersion and Physical Properties of Polycarbonate Based Composites(Basel : MDPI, 2017-5-18) Müller, Michael Thomas; Hilarius, Konrad; Liebscher, Marco; Lellinger, Dirk; Alig, Ingo; Pötschke, PetraThe influence of the morphology of industrial graphite nanoplate (GNP) materials on their dispersion in polycarbonate (PC) is studied. Three GNP morphology types were identified, namely lamellar, fragmented or compact structure. The dispersion evolution of all GNP types in PC is similar with varying melt temperature, screw speed, or mixing time during melt mixing. Increased shear stress reduces the size of GNP primary structures, whereby the GNP aspect ratio decreases. A significant GNP exfoliation to individual or few graphene layers could not be achieved under the selected melt mixing conditions. The resulting GNP macrodispersion depends on the individual GNP morphology, particle sizes and bulk density and is clearly reflected in the composite's electrical, thermal, mechanical, and gas barrier properties. Based on a comparison with carbon nanotubes (CNT) and carbon black (CB), CNT are recommended in regard to electrical conductivity, whereas, for thermal conductive or gas barrier application, GNP is preferred.
- ItemCurrent Modulation of a Heterojunction Structure by an Ultra-Thin Graphene Base Electrode(Basel : MDPI, 2018) Alvarado Chavarin, Carlos; Strobel, Carsten; Kitzmann, Julia; Di Bartolomeo, Antonio; Lukosius, Mindaugas; Albert, Matthias; Bartha, Johann Wolfgang; Wenger, ChristianGraphene has been proposed as the current controlling element of vertical transport in heterojunction transistors, as it could potentially achieve high operation frequencies due to its metallic character and 2D nature. Simulations of graphene acting as a thermionic barrier between the transport of two semiconductor layers have shown cut-off frequencies larger than 1 THz. Furthermore, the use of n-doped amorphous silicon, (n)-a-Si:H, as the semiconductor for this approach could enable flexible electronics with high cutoff frequencies. In this work, we fabricated a vertical structure on a rigid substrate where graphene is embedded between two differently doped (n)-a-Si:H layers deposited by very high frequency (140 MHz) plasma-enhanced chemical vapor deposition. The operation of this heterojunction structure is investigated by the two diode-like interfaces by means of temperature dependent current-voltage characterization, followed by the electrical characterization in a three-terminal configuration. We demonstrate that the vertical current between the (n)-a-Si:H layers is successfully controlled by the ultra-thin graphene base voltage. While current saturation is yet to be achieved, a transconductance of ~230 μS was obtained, demonstrating a moderate modulation of the collector-emitter current by the ultra-thin graphene base voltage. These results show promising progress towards the application of graphene base heterojunction transistors.
- ItemMechanical Properties of ZTO, ITO, and a-Si:H Multilayer Films for Flexible Thin Film Solar Cells(Basel : MDPI, 2017-3-1) Hengst, Claudia; Menzel, Siegfried B.; Rane, Gayatri K.; Smirnov, Vladimir; Wilken, Karen; Leszczynska, Barbara; Fischer, Dustin; Prager, NicoleThe behavior of bi- and trilayer coating systems for flexible a-Si:H based solar cells consisting of a barrier, an electrode, and an absorption layer is studied under mechanical load. First, the film morphology, stress, Young’s modulus, and crack onset strain (COS) were analyzed for single film coatings of various thickness on polyethylene terephthalate (PET) substrates. In order to demonstrate the role of the microstructure of a single film on the mechanical behavior of the whole multilayer coating, two sets of InSnOx (indium tin oxide, ITO) conductive coatings were prepared. Whereas a characteristic grain–subgrain structure was observed in ITO-1 films, grain growth was suppressed in ITO-2 films. ITO-1 bilayer coatings showed two-step failure under tensile load with cracks propagating along the ITO-1/a-Si:H-interface, whereas channeling cracks in comparable bi- and trilayers based on amorphous ITO-2 run through all constituent layers. A two-step failure is preferable from an application point of view, as it may lead to only a degradation of the performance instead of the ultimate failure of the device. Hence, the results demonstrate the importance of a fine-tuning of film microstructure not only for excellent electrical properties, but also for a high mechanical performance of flexible devices (e.g., a-Si:H based solar cells) during fabrication in a roll-to-roll process or under service.
- ItemMineral-Based Coating of Plasma-Treated Carbon Fibre Rovings for Carbon Concrete Composites with Enhanced Mechanical Performance(Basel : MDPI, 2017-3-29) Schneider, Kai; Lieboldt, Matthias; Liebscher, Marco; Fröhlich, Maik; Hempel, Simone; Butler, Marko; Schröfl, Christof; Mechtcherine, ViktorSurfaces of carbon fibre roving were modified by means of a low temperature plasma treatment to improve their bonding with mineral fines; the latter serving as an inorganic fibre coating for the improved mechanical performance of carbon reinforcement in concrete matrices. Variation of the plasma conditions, such as gas composition and treatment time, was accomplished to establish polar groups on the carbon fibres prior to contact with the suspension of mineral particles in water. Subsequently, the rovings were implemented in a fine concrete matrix and their pull-out performance was assessed. Every plasma treatment resulted in increased pull-out forces in comparison to the reference samples without plasma treatment, indicating a better bonding between the mineral coating material and the carbon fibres. Significant differences were found, depending on gas composition and treatment time. Microscopic investigations showed that the samples with the highest pull-out force exhibited carbon fibre surfaces with the largest areas of hydration products grown on them. Additionally, the coating material ingresses into the multifilament roving in these specimens, leading to better force transfer between individual carbon filaments and between the entire roving and surrounding matrix, thus explaining the superior mechanical performance of the specimens containing appropriately plasma-treated carbon roving.
- ItemCold argon plasma as adjuvant tumour therapy on progressive head and neck cancer: A preclinical study(Basel : MDPI, 2019) Hasse, Sybille; Seebauer, Christian; Wende, Kristian; Schmidt, Anke; Metelmann, Hans-Robert; Woedtke, Thomas von; Bekeschus, SanderInvestigating cold argon plasma (CAP) for medical applications is a rapidly growing, innovative field of research. The controllable supply of reactive oxygen and nitrogen species through CAP has the potential for utilization in tumour treatment. Maxillofacial surgery is limited if tumours grow on vital structures such as the arteria carotis. Here CAP could be considered as an option for adjuvant intraoperative tumour therapy especially in the case of squamous cell carcinoma of the head and neck. Further preclinical research is necessary to investigate the efficacy of this technology for future clinical applications in cancer treatment. Initially, a variety of in vitro assays was performed on two cell lines that served as surrogate for the squamous cell carcinoma (SCC) and healthy tissue, respectively. Cell viability, motility and the activation of apoptosis in SCC cells (HNO97) was compared with those in normal HaCaT keratinocytes. In addition, induction of apoptosis in ex vivo CAP treated human tissue biopsies of patients with tumours of the head and neck was monitored and compared to healthy control tissue of the same patient. In response to CAP treatment, normal HaCaT keratinocytes differed significantly from their malignant counterpart HNO97 cells in cell motility only whereas cell viability remained similar. Moreover, CAP treatment of tumour tissue induced more apoptotic cells than in healthy tissue that was accompanied by elevated extracellular cytochrome c levels. This study promotes a future role of CAP as an adjuvant intraoperative tumour therapy option in the treatment of head and neck cancer. Moreover, patient-derived tissue explants complement in vitro examinations in a meaningful way to reflect an antitumoral role of CAP. © 2019 by the authors.