bluuebunny/crossref_metadata_2025_split huggingface dataset:
Seroprävalenz von COVID-19 und psychosoziale Auswirkungen in
der Allgemeinbevölkerung: Ergebnisse des STAAB-COVID-One
Programms
Authors: Eichner Felizitas A , Gelbrich Götz , Weißbrich Benedikt , Dölken Lars , Kurzai Oliver , Deckert Jürgen , Ertl Georg , Barth Maria , Hein Grit , Neuhauser Hannelore , Morbach Caroline , Störk Stefan , Heuschmann Peter 
Published: October 2021

Zusammenfassung
Ziel der Studie Die aktuelle SARS-CoV-2 Forschung fokussiert sich bisher
weitgehend auf symptomatische Fälle. Die STAAB-COVID-Studie untersuchte
daher die Seroprävalenz von COVID-19 in der Allgemeinbevölkerung
und die psychosozialen Auswirkungen der Pandemie.
Methodik Von Juni-Oktober 2020 wurden im Rahmen des STAAB-COVID-Programms,
einer Unterstudie der „Häufigkeit und Einflussfaktoren auf
frühe STAdien A und B der Herzinsuffizienz in der Bevölkerung
(STAAB)“ Kohortenstudie, 4860 Probanden aus einer
repräsentativen altersstratifizierten Stichprobe Würzburger
Einwohner zur Blutabnahme und Fragebogenerhebung eingeladen. Alle Teilnehmenden
erhielten zudem das Angebot, an einer Punktprävalenzerhebung
(selbst-entnommener Nasenabstrich Anfang November 2020) teilzunehmen.
Ergebnisse Insgesamt nahmen 3034 Probanden am STAAB-COVID-Programm teil
(Antwortrate 62%). Bei 33 Teilnehmenden (1,1%; 95%
Konfidenzintervall 0,7–1,5%) wurden Antikörper gegen
SARS-CoV-2 nachgewiesen. Höhere Werte auf der GAD-7-Angstskala waren mit
niedrigeren Raten von SARS-CoV-2-Antikörpern assoziiert (Odds
Ratio=0,78 je+1 Punkt im GAD-7; 95% Konfidenzintervall
0,65–0,95). Innerhalb dieser eher ängstlichen Probandengruppe
war jedoch auch die Absagerate von medizinischen Terminen erhöht (Odds
Ratio=1,13 je+1 Punkt im GAD-7; 95% Konfidenzintervall
1,10–1,16). Bei sechs von insgesamt 2451 Teilnehmenden der
Punktprävalenzerhebung (0,24%; 95% Konfidenzintervall
0,09–0,53%) wurde eine akute Infektion nachgewiesen.
Schlussfolgerung Zwischen der ersten und zweiten COVID-19 Welle fanden wir
in Würzburg eine geringe Durchseuchung mit SARS-CoV-2. Eine
ängstlichere Persönlichkeit war dabei mit einer geringeren
Seroprävalenz assoziiert. Die Studiendurchführung wurde durch
die bereits bestehende Kohortenstudie entscheidend erleichtert.
Synthesis of Ruthenium Catalysts with a Chiral Arene Ligand Derived from Natural Camphor
Authors: Perekalin Dmitry S. , Pototskiy Roman A. , Boym Mikhail A. , Nelyubina Yulia V. 
Published: October 2021

AbstractA ruthenium complex with a chiral arene ligand [(camphor–arene)RuCl2]2 was synthesized by the reaction of RuCl3·nH2O with a chiral diene which was obtained from natural camphor in three steps. This complex catalyzed the asymmetric hydrogenation of acetophenone (64–85% ee), but decomposed in catalytic reactions involving C–H activation of 2-phenylpyridine or benzoic acid derivatives.
Paucicellular Fibroma of the Ascending Aorta
Authors: Pupovac Stevan S. , Koss Elana , Albanese James , Saba Shahryar G. , Hartman Alan R. , Palazzo Robert 
Published: October 2021

AbstractPrimary tumors of the aorta are extremely rare. To the best of our knowledge, herein, we present the first case in the literature of a paucicellular fibroma originating from the aortic wall.
Enhanced Li-ion diffusion and electrochemical performance in strained-manganese–iron oxide core–shell nanoparticles
Authors: Bhargava Anuj , Elbaz Yuval , Sam Quynh , Smeaton Michelle A. , Kourkoutis Lena F. , Caspary Toroker Maytal , Robinson Richard D. 
Published: October 2021

Efforts to improve energy storage depend greatly on the development of efficient electrode materials. Recently, strain has been employed as an alternate approach to improve ion mobility. While lattice strain has been well-researched in catalytic applications, its effects on electrochemical energy storage are largely limited to computational studies due to complexities associated with strain control in nanomaterials as well as loss of strain due to the phase change of the active material during charging–discharging. In this work, we overcome these challenges and investigate the effects of strain on supercapacitor performance in Li-ion-based energy devices. We synthesize epitaxial Fe3O4@MnFe2O4 (core@shell) nanoparticles with varying shell thickness to control the lattice strain. A narrow voltage window for electrochemical testing is used to limit the storage mechanism to lithiation–delithiation, preventing a phase change and maintaining structural strain. Cyclic voltammetry reveals a pseudocapacitive behavior and similar levels of surface charge storage in both strained- and unstrained-MnFe2O4 samples; however, diffusive charge storage in the strained sample is twice as high as the unstrained sample. The strained-MnFe2O4 electrode exceeds the performance of the unstrained-MnFe2O4 electrode in energy density by ∼33%, power density by ∼28%, and specific capacitance by ∼48%. Density functional theory shows lower formation energies for Li-intercalation and lower activation barrier for Li-diffusion in strained-MnFe2O4, corresponding to a threefold increase in the diffusion coefficient. The enhanced Li-ion diffusion rate in the strained-electrodes is further confirmed using the galvanostatic intermittent titration technique. This work provides a starting point to using strain engineering as a novel approach for designing high performance energy storage devices.
2D-Raman-THz spectroscopy with single-shot THz detection
Authors: Duchi Marta , Shukla Saurabh , Shalit Andrey , Hamm Peter 
Published: October 2021

We present a 2D-Raman-terahertz (THz) setup with multichannel (single-shot) THz detection, utilizing two crossed echelons, in order to reduce the acquisition time of typical 2D-Raman-THz experiments from days to a few hours. This speed-up is obtained in combination with a high repetition rate (100 kHz) Yb-based femtosecond laser system and a correspondingly fast array detector. The wavelength of the Yb-laser (1030 nm) is advantageous, since it assures almost perfect phase matching in GaP for THz generation and detection and since the dispersion in the transmissive echelons is minimal. 2D-Raman-THz test measurements on liquid bromoform (CHBr3) are reported. An enhancement of a factor ∼5.8 in signal-to-noise ratio is obtained for single-shot detection when compared to conventional step-scanning measurements in the THz time domain, corresponding to a speed-up of acquisition time of ∼34.
Four-dimensional chromosome reconstruction elucidates the spatiotemporal reorganization of the mammalian X chromosome
Authors: Lappala Anna , Wang Chen-Yu , Kriz Andrea , Michalk Hunter , Tan Kevin , Lee Jeannie T. , Sanbonmatsu Karissa Y. 
Published: October 2021

Significance
Breakthrough technological advances such as Hi-C have enabled large-scale sequencing of pairwise genomic contacts. However, translating the 2D contacts to 3D spatial models remains challenging. Here we develop the “4DHiC” modeling method to infer 3D information from 2D datasets across time and construct a 3D model of the inactive X-chromosome (Xi). Our model not only demonstrates a spatial phase-separation between A/B and S1/S2 compartments to form “hemispheres,” but also reveals persistent smaller-scale structures hidden under the Xi superstructure. We also simulate Xist RNA spreading dynamics and deduce that the RNA spreads between hemispheres via both surface and core to establish the Xi. Our 4DHiC will serve a growing demand for data-driven methodologies that extract spatial information from biochemical interaction data.
Surface equilibration mechanism controls the molecular packing of glassy molecular semiconductors at organic interfaces
Authors: Fiori Marie E. , Bagchi Kushal , Toney Michael F. , Ediger M. D. 
Published: October 2021

Significance
Because glasses are nonequilibrium materials, even a single-component system has an enormous number of distinct glass structures. Physical vapor deposition (PVD) is an important tool for preparing a wide range of these glasses. While the substrate can influence structure for hundreds of nanometers for crystalline and liquid crystalline systems, little is known about the structure of PVD glasses near an underlying substrate. This is important for organic electronics, as layers of PVD glasses as thin as 10 nm are used as active elements in organic light-emitting diodes, and molecular packing is vital to performance. We show that the free surface controls molecular packing of PVD glasses near a buried interface rather than the substrate, in sharp contrast with crystalline systems.
Utilization of n-dodecane as coupling layer for reusable acoustofluidic microchips
Authors: Chang Li-Yu , Liao Ting-Wei , Ye Ming-Lin , Juang Yi-Je 
Published: October 2021

Abstract
In this study, n-dodecane used as the coupling layer for reusable acoustofluidic microchips was investigated. n-dodecane has the similar viscosity to that of water. However, it possesses much lower surface tension and higher boiling point compared to water. When dispensing a droplet of n-dodecane on lithium niobate (LiNO3) substrate with interdigital transducers and placing the polydimethylsiloxane microchannel on top of it, n-dodecane can easily wick through and completely occupy the interstitial space. Moreover, it can be readily removed from the substrate without leaving residue. The experimental results showed that the reusable acoustofluidic microchips can be operated at higher input voltages and longer duration when applying n-dodecane as the coupling layer. Attenuation of the acoustic radiant force was observed through decrease of the particle velocity, which is in agreement with the literature results. Decreasing the thickness of the coupling layer can alleviate the attenuation effect and a linear relationship between particle velocity and thickness on a semi-log plot was obtained.
Statistical analysis of correlations in the x-ray induced Coulomb explosion of iodopyridine
Authors: Richard Benoît , Schäfer Julia M , Jurek Zoltan , Santra Robin , Inhester Ludger 
Published: October 2021

Abstract
Coulomb explosion imaging is a promising experimental tool to study individual molecules. In this work simulation data for the x-ray induced Coulomb explosion of 2-iodopyridine is analyzed and the involved fragmentation dynamics are described. It is found that particular final ion momenta show correlations that reflect a collision of two atoms during the explosion. Variations of the proton kinetic energies can be associated with variations in the charge build-up time. Covariances of the forces during the explosion can be utilized to simplify the description of the dynamics in reduced dimensionality using only four collective coordinates.
Electronic transport through a biphenyl system as a function of torsion angle with a complex absorbing potential to model the self-energy in a scattering approach
Authors: Moreira A C L , de Melo C P , Marques L S 
Published: October 2021

Abstract
In this work, we present a self-energy model based on the complex absorbing potential (CAP) method to calculate the transmission function through an extended molecule using scattering theory. Once the CAP mimics an infinite environment at the ends of a finite system, it can be used as a model for self-energy with a low computational cost. Moreover, the matrixes required for the transport calculation can be obtained from an ab initio calculation of some extended molecules in a single step using an adjustable model, thus taking into account changes in the electronic structure of the system. This approach was applied to study electron transport across a biphenyl molecular system for different torsion angles under an external applied electric field. The results obtained are in good agreement with the available theoretical and experimental results in the literature and provide an efficient approach, with a low computational cost method, for the interpretation of electrical transport at the molecular level.
Metal ion implantation into transparent dielectric slab: an effective route to high-stability localized surface plasmon resonance sensors
Authors: Wang Jun , Wang Gang , Liu Changlong , Wang Yimo , Qian Hui 
Published: October 2021

Abstract
Ag/SiO2 and Au/SiO2 samples were prepared by separately implanting 30 keV Ag and Au ions into 0.5-mm-thick SiO2 slabs at a fluence of 6 × 1016 ion·cm−2, and their optical and structural properties were studied in detail by using a fiber spectrometer and a transmission electron microscope, respectively. Our results showed that the two samples featured by their respective nanocomposite surface layers were asymmetrical in structure, and hence, their characteristic signals in the reflectance spectra excited by the lights incident from the rear surfaces were able to exhibit corresponding blueshifts when the overlays on the implanted surfaces were increased in refractive index with respect to air. Our results also showed that each of characteristic signals was strongly dependent on the localized surface plasmon resonance (LSPR) behavior of the involved Ag or Au nanoparticles (NPs), and it could not appear at a wavelength position smaller than or equal to that of the LSPR absorption peak since the involved Ag or Au NPs were quite small in size. These results meant that the two samples could be regarded as the LSPR sensors with a negative refractive index sensitivity (RIS), although their sensing abilities would lose when the overlays were very large in refractive index. Especially, the two samples were demonstrated to be relatively high in stability because the involved Ag and Au NPs were closely hugged and chemically protected by the matrices of SiO2, and consequently, they could have a chance to become prospective sensing devices in some special fields as long as their RISs and linearities could be improved in the future. The above findings substantially confirmed that the metal ion implantation into transparent dielectric slab was an effective route to the high-stability LSPR sensors.
Green synthesis of orange emissive carbon dots for the detection of Ag+ and their application via solid-phase sensing and security ink
Authors: Bai Haiyan , Chen Weixing , Yang Jin , Cao Yixin , Yu Jiajia , Zhao Huaqi , Zhou Hongwei , Jin Xilang 
Published: October 2021

Abstract
Fluorescent carbon dots (CDs) have attracted considerable interest due to their superior optical properties and facile preparation. In this work, O-phenylenediamine and melamine were used as precursors for the one-step hydrothermal synthesis of novel orange emissive CDs (O-CDs) in an aqueous solution. The fluorescence intensity (580 nm) of the O-CDs exhibited a good linear relationship with Ag+ in the range of 0.0–50.0 μM with the detection limit of 0.289 μM. Moreover, the O-CDs were successfully used to determine Ag+ in biological samples (Hela cells) because of their low cytotoxicity, and good biocompatibility. Besides, the O-CDs-doped solid-phase detection materials (test paper and hydrogel) were employed to monitor Ag+ qualitatively and quantitatively, indicated that the O-CDs had a great capacity for the detection of Ag+ in biological and environmental areas. Based on their extraordinary fluorescence property, the O-CDs could also be used as security ink. Overall, based on their excellent fluorescent performance, the CDs in this study have significant potential for practical application toward solid-phase sensing and security ink.
Optimizing surface residual alkali and enhancing electrochemical performance of LiNi0.8Co0.15Al0.05O2 cathode by LiH2PO4
Authors: Cheng Wendong , Hao Shuai , Ji Yuyao , Li Lei , Liu Ling , Xiao Yu , Wu Yuxuan , Huo Jinsheng , Tang Fan , Liu Xingquan 
Published: October 2021

Abstract
LiNi0.8Co0.15Al0.05O2 (NCA), a promising ternary cathode material of lithium-ion batteries, has widely attracted attention due to its high energy density and excellent cycling performance. However, the presence of residual alkali (LiOH and Li2CO3) on the surface will accelerate its reaction with HF from LiPF6, resulting in structural degradation and reduced safety. In this work, we develop a new coating material, LiH2PO4, which can effectively optimize the residual alkali on the surface of NCA to remove H2O and CO2 and form a coating layer with excellent ion conductivity. Under this strategy, the coated sample NCA@0.02Li3PO4 (P2-NCA) provides a capacity of 147.8 mAh g−1 at a high rate of 5 C, which is higher than the original sample (126.5 mAh g−1). Impressively, the cycling stabilities of P2-NCA under 0.5 C significantly improved from 85.2% and 81.9% of pristine-NCA cathode to 96.1% and 90.5% at 25 °C and 55 °C, respectively. These satisfied findings indicate that this surface modification method provides a feasible strategy toward improving the performance and applicability of nickel-rich cathode materials.
Reducing Kapitza resistance between graphene/water interface via interfacial superlattice structure
Authors: Peng Xiaoyi , Jiang Pengfei , Ouyang Yulou , Lu Shuang , Ren Weijun , Chen Jie 
Published: October 2021

Abstract
The control of thermal transport across solid/liquid interface has attracted great interests for efficient thermal management in the integrated devices. Based on molecular dynamics simulations, we study the effect of interfacial superlattice structure on the Kapitza resistance between graphene/water interface. Compared to the original interface, introducing interfacial superlattice structure can result in an obvious reduction of Kapitza resistance by as large as 40%, exhibiting a decreasing trend of Kapitza resistance with the decrease of superlattice period. Surprisingly, by analyzing the structure of water block and atomic vibration characteristics on both sides of the interface, we find the interfacial superlattice structure has a minor effect on the water structure and overlap in the vibrational spectrum, suggesting that the improved interfacial heat transfer is not mainly originated from the liquid block. Instead, the spectral energy density analysis reveals that phonon scattering rate in the interfacial graphene layer is significantly enhanced after superlattice decoration, giving rise to the increased thermal resistance between the interfacial graphene layer and its nearest neighboring layer. As this thermal resistance is coupled to the Kapitza resistance due to the local nature of interfacial superlattice decoration, the enhanced thermal resistance in the solid segment indirectly reduces the Kapitza resistance between graphene/water interface, which is supported by the enhancement of the spectral interfacial thermal conductance upon superlattce decoration at microscopic level. Our study uncovers the physical mechanism for controlling heat transfer across solid/liquid interface via interfacial superlattice structure, which might provide valuable insights for designing efficient thermal interfaces.
A reversible bistate joint nimply optical logic gate using photonic crystals
Authors: Rajesh A , Viswanathan B , Nafisa N 
Published: October 2021

Abstract
In this work an optical reversible bistate joint NIMPLY (BJN) logic gate was designed using two-dimensional photonic crystals. The gate was designed using an asymmetrical waveguide with reference to a point defect introduced at the center of the structure. The desired logic functions were obtained in the forward and reverse state using the principle of interference of light. The defect rod radius and length of the waveguide using a line defect were chosen to introduce constructive and destructive interference of light. The BJN gate has a low footprint of 40.83 µm2 and the resonant wavelength was designed to be 1550 nm. The finite-difference time-domain method was used to attain the wave propagation and photonic bandgap for the proposed structure. The maximum contrast ratio of the reversible optical BJN gate in the forward and reverse states was found to be 25.11 dB and 24.86 dB, respectively.
Mechanical and corrosion behavior of SiC/Graphite/ZrO2hybrid reinforced aluminum-based composites for marine environment
Authors: Yadav Sukriti , Gangwar Swati , Yadav Prabhat Chand , Pathak Vimal Kumar , Sahu Sandeep 
Published: October 2021

AbstractMarine conditions are highly contentious for most materials manifested by the decayed condition of old ships and wrecks (made up of steel/wood). This work investigates the mechanical and corrosion behavior of aluminum-based composites reinforced with 3, 6, and 9 wt% of hybrid reinforcements (SiC, graphite, and ZrO2). It was observed that 3 wt% reinforcement composite had the optimum mechanical properties along with minimum corrosion rate. This composition had the least void contents, and its micro-hardness increased by 27.5% (42.6 VHN) in comparison to that of the unreinforced Al (33.3 VHN). Impact strength of the composite increased by 27.2% for 6 wt% hybrid reinforcement (247.1 J) and then started decreasing, whereas tensile strength of the composite increased by 8% for 9 wt% hybrid reinforcement (124.0 MPa) with respect to that of pure Al. The flexural strength of the pure Al reduced with the addition of hard reinforcing particles. The corrosion behavior of the composite was analyzed in 3.5% NaCl solution (simulating the seawater condition) at room temperature with the help of Tafel polarization curve and scanning electron microscopy (SEM) micrographs. It revealed that the 3% reinforced composite had the minimum corrosion current density (0.4μA) and corrosion rate (0.23 mpy) compared to those of pure Al. The surface morphology of corrosion tested samples indicated the pitting corrosion mechanism.
A legal shot? Police Gun Violence and Individual Accountability in Miami
Authors: Jeursen Thijs 
Published: October 2021

Abstract
In light of police violence and injustice, criminologists tend to focus on masculine and violent police cultures, the lack of democratic oversight and on social processes of dehumanization. Yet much less attention, however, is given to the objects commonly used in violent and lethal police encounters: guns. Drawing on long-term ethnographic fieldwork with police officers in Miami, I suggest that police officers tend to re-contextualize police gun violence in terms of individual liability and legal culpability—as a question of what constitutes a legal shot. While a legal framing might protect police officers from prosecution, the legal shot first and foremost enables state institutions to explain police brutality as “incidents”: as unintentional and exceptional outcomes of an otherwise warranted form of policing. Recognizing how the legal shot attunes our attention to individual misconduct and legal solutions to systemic and racialized police violence, I suggest, is an important step in exploring the possibilities to disarm the police, and to organize around the question of how to imagine and push for a more inclusive form of public safety.