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- ItemSynthesis and crystal structure of a one-dimensional chain-like strontium(II) coordination polymer built of N-methyldiethanolamine and isobutyrate ligands(Chester : International Union of Crystallography, 2021) Seiss, Maximilian; Schmitz, Sebastian; Börner, Martin; Monakhov, Kirill Yu.The one-dimensional coordination polymer (I) [Sr(ib)2 (H2mda)]n (Hib = isobutyric acid, C4H8O2, and H2mda = N-methyldiethanolamine, C5H13NO2), namely, catena-poly[[(N-methyldiethanolamine-k3O, N, O')strontium(II)]-di-μ2- isobutyrato-K3O, O':O;K3O:O, O'], was prepared by the one-pot aerobic reaction of [Zr6O4 (OH)4 (ib)12 (H2O)].3Hib with Sr(NO3)2 and H2mda in the presence of MnCl2 and Et3N in acetonitrile. The use of MnCl2 is key to the isolation of I as high-quality colorless crystals in good yield. The molecular solid-state structure of I was determined by single-crystal X-ray diffraction. Compound I crystallizes in the monoclinic space group P21/c and shows a one-dimensional polymeric chain structure. Each monomeric unit of this coordination polymer consists of a central SrII ion in the NO8 coordination environment of two deprotonated ib- ligands and one fully protonated H2mda ligand. The C and O atoms of the H2mda ligand were refined as disordered over two sets of sites with site occupancies of 0.619 (3) and 0.381 (3). Compound I shows thermal stability up to 130°C in air. © 2021 International Union of Crystallography. All rights reserved.
- ItemOptimizing the Geometry of Photoacoustically Active Gold Nanoparticles for Biomedical Imaging(Washington, DC : ACS, 2020) García-Álvarez, Rafaela; Chen, Lisa; Nedilko, Alexander; Sánchez-Iglesias, Ana; Rix, Anne; Lederle, Wiltrud; Pathak, Vertika; Lammers, Twan; von Plessen, Gero; Kostarelos, Kostas; Liz-Marzán, Luis M.; Kuehne, Alexander J.C.; Chigrin, Dmitry N.Photoacoustics is an upcoming modality for biomedical imaging, which promises minimal invasiveness at high penetration depths of several centimeters. For superior photoacoustic contrast, imaging probes with high photothermal conversion efficiency are required. Gold nanoparticles are among the best performing photoacoustic imaging probes. However, the geometry and size of the nanoparticles determine their photothermal efficiency. We present a systematic theoretical analysis to determine the optimum nanoparticle geometry with respect to photoacoustic efficiency in the near-infrared spectral range, for superior photoacoustic contrast. Theoretical predictions are illustrated by experimental results for two of the most promising nanoparticle geometries, namely, high aspect ratio gold nanorods and gold nanostars. Copyright © 2020 American Chemical Society.
- ItemCrystal structure of diethyl (E)-2-[(benzofuran-2-yl)methylidene]succinate(Chester : International Union of Crystallography, 2015) Schirmer, Marie-Luis; Spannenberg, Anke; Werner, ThomasThe title compound, C17H18O5, was synthesized by a base-free catalytic Wittig reaction. The molecule consists of a diethyl itaconate unit, which is connected via the C=C double bond to a benzofuran moiety. The benzofuran ring system (r.m.s. deviation = 0.007 Å) forms dihedral angles of 79.58 (4) and 12.12 (10)° with the mean planes through the cis and trans ethoxycarbonyl groups, respectively. An intramolecular C-H...O hydrogen bond involving the O atom of the benzofuran moiety is observed. In the crystal, molecules are linked into ribbons running parallel to the b axis by C-H...O hydrogen bonds.
- ItemSingle-crystal neutron and X-ray diffraction study of garnet-type solid-state electrolyte Li6La3ZrTaO12: An in situ temperature-dependence investigation (2.5 ≤ T ≤ 873 K)(Oxford [u.a.] : Wiley-Blackwell, 2021) Redhammer, Günther J.; Meven, Martin; Ganschow, Steffen; Tippelt, Gerold; Rettenwander, DanielLarge single crystals of garnet-type Li6La3ZrTaO12 (LLZTO) were grown by the Czochralski method and analysed using neutron diffraction between 2.5 and 873 K in order to fully characterize the Li atom distribution, and possible Li ion mobility in this class of potential candidates for solid-state electrolyte battery material. LLZTO retains its cubic symmetry (space group Ia 3 d) over the complete temperature range. When compared to other sites, the octahedral sites behave as the most rigid unit and show the smallest increase in atomic displacement parameters and bond length. The La and Li sites show similar thermal expansion in their bond lengths with temperature, and the anisotropic and equivalent atomic displacement parameters exhibit a distinctly larger increase at temperatures above 400 K. Detailed inspection of nuclear densities at the Li1 site reveal a small but significant displacement from the 24d position to the typical 96h position, which cannot, however, be resolved from the single-crystal X-ray diffraction data. The site occupation of LiI ions on Li1 and Li2 sites remains constant, so there is no change in site occupation with temperature. © 2021 International Union of Crystallography. All rights reserved.
- ItemBlind Super-Resolution Approach for Exploiting Illumination Variety in Optical-Lattice Illumination Microscopy(Washington, DC : ACS Publications, 2021) Samanta, Krishnendu; Sarkar, Swagato; Acuña, Sebastian; Joseph, Joby; Ahluwalia, Balpreet Singh; Agarwal, KrishnaOptical-lattice illumination patterns help in pushing high spatial frequency components of the sample into the optical transfer function of a collection microscope. However, exploiting these high-frequency components require precise knowledge of illumination if reconstruction approaches similar to structured illumination microscopy are employed. Here, we present an alternate blind reconstruction approach that can provide super-resolution without the requirement of extra frames. For this, the property of exploiting temporal fluctuations in the sample emissions using “multiple signal classification algorithm” is extended aptly toward using spatial fluctuation of phase-modulated lattice illuminations for super-resolution. The super-resolution ability is shown for sinusoidal and multiperiodic lattice with approximately 3- and 6-fold resolution enhancements, respectively, over the diffraction limit. © 2021 The Authors. Published by American Chemical Society
- ItemStrain Engineered Electrically Pumped SiGeSn Microring Lasers on Si(Washington, DC : ACS, 2022) Marzban, Bahareh; Seidel, Lukas; Liu, Teren; Wu, Kui; Kiyek, Vivien; Zoellner, Marvin Hartwig; Ikonic, Zoran; Schulze, Joerg; Grützmacher, Detlev; Capellini, Giovanni; Oehme, Michael; Witzens, Jeremy; Buca, DanSiGeSn holds great promise for enabling fully group-IV integrated photonics operating at wavelengths extending in the mid-infrared range. Here, we demonstrate an electrically pumped GeSn microring laser based on SiGeSn/GeSn heterostructures. The ring shape allows for enhanced strain relaxation, leading to enhanced optical properties, and better guiding of the carriers into the optically active region. We have engineered a partial undercut of the ring to further promote strain relaxation while maintaining adequate heat sinking. Lasing is measured up to 90 K, with a 75 K T0. Scaling of the threshold current density as the inverse of the outer circumference is linked to optical losses at the etched surface, limiting device performance. Modeling is consistent with experiments across the range of explored inner and outer radii. These results will guide additional device optimization, aiming at improving electrical injection and using stressors to increase the bandgap directness of the active material.
- ItemMineral dust in Central Asia: Combining lidar and other measurements during the Central Asian dust experiment (CADEX)(Les Ulis : EDP Sciences, 2018) Althausen, Dietrich; Hofer, Julian; Abdullaev, Sabur; Makhmudov, Abduvosit; Baars, Holger; Engelmann, Ronny; Wadinga Fomba, Khanneh; Müller, Konrad; Schettler, Georg; Klüser, Lars; Kandler, Konrad; Nicolae, D.; Makoto, A.; Vassilis, A.; Balis, D.; Behrendt, A.; Comeron, A.; Gibert, F.; Landulfo, E.; McCormick, M.P.; Senff, C.; Veselovskii, I.; Wandinger, U.Mineral dust needs to be characterized comprehensively since it contributes to the climate change in Tajikistan / Central Asia. Lidar results from the measurements of mineral dust during CADEX are compared with results of sun photometer measurements, satellite-based measurements, and chemical analysis of ground samples. Although the dust is often advected from far-range sources, it impacts on the local conditions considerably.
- ItemLas Pailas geothermal field - Central America case study: Deciphering a volcanic geothermal play type through the combination of optimized geophysical exploration methods and classic geological conceptual models of volcano-tectonic systems(London [u.a.] : Institute of Physics, 2019) Salguero, Leonardo Solís; Rioseco, Ernesto MenesesSustainable exploitation strategies of high-enthalpy geothermal reservoirs in a volcanic geothermal play type require an accurate understanding of key geological structures such as faults, cap rock and caldera boundaries. Of same importance is the recognition of possible magmatic body intrusions and their morphology, whether they are tabular like dikes, layered like sills or domes. The relative value of those magmatic bodies, their age, shape and location rely on the role they play as possible local heat sources, hydraulic barriers between reservoir compartments, and their far-reaching effect on the geochemistry and dynamics of fluids. Obtaining detailed knowledge and a more complete understanding at the early stages of exploration through integrated geological, geophysical and geochemical methods is essential to determine promising geothermal drilling targets for optimized production/re-injection schemes and for the development of adequate exploitation programs. Valuable, extensive geophysical data gathered at Las Pailas high-enthalpy geothermal field at northwestern Costa Rica combined with detailed understanding of the geological structures in the underground may represent a sound basis for an in-depth geoscientific discussion on this topic. Currently, the German cooperation for the identification of geothermal resources in Central America, implemented by the Federal Institute for Geosciences and Natural Resources (BGR), supports an international and interdisciplinary effort, driven by the Instituto Costarricense de Electricidad (ICE) with different international and national research institutions, including the Leibniz Institute for Applied Geophysics (LIAG). The discussions and joint studies refer to the optimized utilization of geophysical and geological methods for geothermal exploration in the Central American region, using the example of Las Pailas Geothermal Field. The results should contribute to a better understanding of the most appropriate geothermal exploration concepts for complex volcanic field settings in Central America.
- ItemHierarchical fibrous guiding cues at different scales influence linear neurite extension([Amsterdam] : Elsevier, 2020) Omidinia-Anarkoli, Abdolrahman; Ephraim, John Wesley; Rimal, Rahul; De Laporte, LauraSurface topographies at micro- and nanoscales can influence different cellular behavior, such as their growth rate and directionality. While different techniques have been established to fabricate 2-dimensional flat substrates with nano- and microscale topographies, most of them are prone to high costs and long preparation times. The 2.5-dimensional fiber platform presented here provides knowledge on the effect of the combination of fiber alignment, inter-fiber distance (IFD), and fiber surface topography on contact guidance to direct neurite behavior from dorsal root ganglia (DRGs) or dissociated primary neurons. For the first time, the interplay of the micro-/nanoscale topography and IFD is studied to induce linear nerve growth, while controlling branching. The results demonstrate that grooved fibers promote a higher percentage of aligned neurite extension, compensating the adverse effect of increased IFD. Accordingly, maximum neurite extension from primary neurons is achieved on grooved fibers separated by an IFD of 30 μm, with a higher percentage of aligned neurons on grooved fibers at a large IFD compared to porous fibers with the smallest IFD of 10 µm. We further demonstrate that the neurite “decision-making” behavior on whether to cross a fiber or grow along it is not only dependent on the IFD but also on the fiber surface topography. In addition, axons growing in between the fibers seem to have a memory after leaving grooved fibers, resulting in higher linear growth and higher IFDs lead to more branching. Such information is of great importance for new material development for several tissue engineering applications. Statement of Significance: One of the key aspects of tissue engineering is controlling cell behavior using hierarchical structures. Compared to 2D surfaces, fibers are an important class of materials, which can emulate the native ECM architecture of tissues. Despite the importance of both fiber surface topography and alignment to direct growing neurons, the current state of the art did not yet study the synergy between both scales of guidance. To achieve this, we established a solvent assisted spinning process to combine these two crucial features and control neuron growth, alignment, and branching. Rational design of new platforms for various tissue engineering and drug discovery applications can benefit from such information as it allows for fabrication of functional materials, which selectively influence neurite behavior. © 2020
- ItemCrystal structure of bis{μ2-[(2-iminocyclopentylidene)methylidene]azanido-κ2 N:N'}bis[(η5-pentamethylcyclopentadienyl)zirconium(IV)] hexane monosolvate(Chester : International Union of Crystallography, 2015) Becker, Lisanne; Spannenberg, Anke; Arndt, Perdita; Rosenthal, UweThe title compound, [Zr2(C10H15)4(C6H6N2)2]·C6H14, was obtained by the stoichiometric reaction of adiponitrile with [Zr(C10H15)2([eta]2-Me3SiC2SiMe3)]. Intramolecular nitrile-nitrile couplings and deprotonation of the substrate produced the (1-imino-2-enimino)cyclopentane ligand, which functions as a five-membered bridge between the two metal atoms. The ZrIV atom exhibits a distorted tetrahedral coordination sphere defined by two pentamethylcyclopentadienyl ligands, by the imino unit of one (1-imino-2-enimino)cyclopentane and by the enimino unit of the second (1-imino-2-enimino)cyclopentane. The cyclopentane ring of the ligand shows an envelope conformation. The asymmetric unit contains one half of the complex and one half of the hexane solvent molecule, both being completed by the application of inversion symmetry. One of the pentamethylcyclopentadienyl ligands is disordered over two sets of sites with a refined occupancy ratio of 0.8111 (3):0.189 (3). In the crystal, the complex molecules are packed into rods extending along [100], with the solvent molecules located in between. The rods are arranged in a distorted hexagonal packing.