bluuebunny/crossref_metadata_2025 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

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

A 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

Primary 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.
Feature importance in multi-dimensional tissue-engineering datasets: Random forest assisted optimization of experimental variables for collagen scaffolds
Authors: Nair Malavika , Bica Ioana , Best Serena M. , Cameron Ruth E.
Published: October 2021

Ice-templated collagen-based tissue-engineering scaffolds are ideal for controlled tissue regeneration since they mimic the micro-environment experienced in vivo. The structure and properties of scaffolds are fine-tuned during fabrication by controlling a number of experimental parameters. However, this parameter space is large and complex, rendering the interpretation of results and selection of optimal parameters to be challenging in practice. This paper investigates the impact of a cross section of this parameter space (drying conditions and solute environment) on the scaffold microstructure. Qualitative assessment revealed the previously unreported impact of drying temperature and pressure on pore wall roughness, and confirmed the influence of collagen concentration, solvent type, and solute addition on pore morphology. For quantitative comparison, we demonstrate the novel application of random forest regression to analyze multi-dimensional biomaterials datasets, and predict microstructural attributes for a scaffold. Using these regression models, we assessed the relative importance of the input experimental parameters on quantitative pore measurements. Collagen concentration and pH were found to be the largest factors in determining pore size and connectivity. Furthermore, circular dichroism peak intensities were also revealed to be a good predictor for structural variations, which is a parameter that has not previously been investigated for its effect on a scaffold microstructure. Thus, this paper demonstrates the potential for predictive models such as random forest regressors to discover novel relationships in biomaterials datasets. These relationships between parameters (such as circular dichroism spectra and pore connectivity) can therefore also be used to identify and design further avenues of investigation within biomaterials.
Reflection of a dust acoustic solitary wave in a dusty plasma
Authors: Kumar Krishan , Bandyopadhyay P. , Singh Swarnima , Arora Garima , Sen A.
Published: October 2021

We report the first experimental observations of the reflection of a dust acoustic solitary wave from a potential barrier in a dusty plasma medium. The experiments have been carried out in an inverted Π-shaped dusty plasma experimental (DPEx) device in a DC glow discharge plasma environment. The dust acoustic solitary wave is excited by modulating the plasma with a short negative Gaussian pulse that is superimposed over the discharge voltage. The solitary wave structure is seen to move toward a potential barrier, created by the sheath around a biased wire, and turn back after reflecting off the barrier. The amplitude, width, and velocity of the soliton are recorded as a function of time. The experiment is repeated for different strengths of the potential barrier and for different initial amplitudes of the solitary wave. It is found that the distance of the closest approach of the solitary wave to the center of the barrier increases with the increase in the strength of the potential barrier and with the decrease in the initial wave amplitude. An emissive probe is used to measure the sheath potential and its thickness by measuring the plasma potential profile in the axial direction over a range of resistances connected to the biased wire. A modified Korteweg–de Vries equation is derived and numerically solved to qualitatively understand the experimental findings.
High Curie temperature BiFeO3-BaTiO3 lead-free piezoelectric ceramics: Ga3+ doping and enhanced insulation properties
Authors: Peng Xiao-Yan , Tang Yu-Cheng , Zhang Bo-Ping , Zhu Li-Feng , Xun Bo-Wei , Yu Jing-Ru
Published: October 2021

BiFeO3-BaTiO3 is a promising high-temperature lead-free piezo-ceramics due to its high Curie temperature (TC > 500 °C) and excellent piezoelectric properties. However, a high leakage current was often detected in this system, which severely affects its applications. In this work, the 0.7BiFe(1−x)GaxO3-0.3BaTiO3 (BFGax-BT, 0.00 ≤ x ≤ 0.10) system was designed to reveal the reason of leakage-current density decreased by their leakage mechanism. Because of the suppression of generation of Fe2+ and oxygen vacancy (VO∙∙), the leakage mechanism from space charge limited conduction mechanism found in Ga-free BF-BT ceramics turns into Ohmic conduction and Schottky emission mechanism as Fe3+ was replaced with Ga3+. A good combination of piezoelectric properties (d33 = 174 pC N−1 and kp = 29%) and high Curie temperature (TC = 497 °C) was achieved in the BFGa0.06-BT ceramic owning the lowest leakage-current density. This work will provide the clues for preparing the high insulation and high piezoelectric performance BF-BT-based ceramics by suppressing the valence change of Fe3+ and VO∙∙ appearance.
Intrinsically shunted Josephson junctions with high characteristic voltage based on epitaxial NbN/TaN/NbN trilayer
Authors: Yan Kaixin , Zhang Lu , Wang Huiwu , Tao Yuanhe , Shi Jiasheng , Zhong Yulong , Jin Hua , Shi Weifeng , Chen Lei , Peng Wei , You Lixing , Wang Zhen
Published: October 2021

We investigate the current–voltage characteristics and the interface properties of epitaxial NbN/TaN/NbN Josephson junctions in this study. The crystal structure and interface properties of the NbN/TaN/NbN junctions are determined using x-ray diffraction and cross-sectional scanning transmission electron microscopy, and the epitaxial growth of the NbN/TaN/NbN trilayer exhibited a smooth and clear interface. The characteristic voltage can be easily tuned over more than one or two orders of magnitude by precisely and independently controlling the barrier thickness and resistivity. For the barrier resistivity of 79 mΩ cm, the junctions show excellent Josephson properties with a characteristic voltage of 2.04 ± 0.08 mV at 4.2 K, corresponding to a large normal metal coherence length of 2.51 ± 0.03 nm and a fast diffusion rate of 24.9 ± 0.4 mm2/s. A high junction quality was also confirmed by the large characteristic voltage of 0.88 ± 0.03 mV at 10.0 K, making the intrinsically shunted NbN junctions promising for use in higher speed and temperature-superconducting devices and circuits.
1039 kA/cm2 peak tunneling current density in GaN-based resonant tunneling diode with a peak-to-valley current ratio of 1.23 at room temperature on sapphire substrate
Authors: Zhang HePeng , Xue JunShuai , Sun ZhiPeng , Li LanXing , Yao JiaJia , Liu Fang , Yang XueYan , Wu GuanLin , Li ZuMao , Fu YongRui , Liu ZhiHong , Zhang JinCheng , Hao Yue
Published: October 2021

In this Letter, we present the excellent negative differential resistance (NDR) characteristics of AlN/GaN double-barrier resonant tunneling diodes (RTDs) in which the active layers are grown by molecular beam epitaxy on thick GaN-on-sapphire templates manufactured by metal-organic chemical vapor deposition. Here, indium flux is introduced as surfactant to reduce the interface roughness and improve the sharpness of heterointerface during epitaxial growth of AlN/GaN/AlN quantum well. The processed device with a top collector diameter of 1 μm size demonstrates a record peak current density of 1039 kA/cm2 while simultaneously featuring a peak-to-valley current ratio of 1.23 at room temperature, excellent achievements among all the reported GaN-based RTDs on any substrates. In addition, no degradation of device performance together with free of hysteresis is observed for the 1000 times consecutive up-to-down voltage sweeps under forward bias. These remarkable achievements are attributed to the marked improvement in heterointerface quality of AlN/GaN/AlN double-barrier quantum well by adopting indium as surfactant during epitaxial growth as clarified by transmission electron microscopy analysis, which dramatically suppresses the interface roughness scattering and elements interdiffusion, thus significantly improving the NDR signatures in current–voltage curves. The obtained results in this work illustrate that indium-surfactant added epitaxy technique turns out to be a promising approach for the modulation of vertical electron resonant tunneling in III-nitride heterostructures and realization of highly reproducible and reliable AlN/GaN double-barrier RTDs, in favor of implementation for future high-power solid-state electronics operating in terahertz spectra.
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.
Multilevel switching in Mg-doped HfOx memristor through the mutual-ion effect
Authors: Li Li-Heng , Xue Kan-Hao , Zou Lan-Qing , Yuan Jun-Hui , Sun Huajun , Miao Xiangshui
Published: October 2021

HfOx memristor is one of the most promising candidates for nonvolatile memory and neuromorphic computing applications, but for the latter, its gradual conduction modulation and switching linearity still need improvement. In this work, uniform and multilevel resistance switching (RS) of HfOx memristors have been achieved through Mg doping, which is a distinct dopant other than previously used elements like Al and Gd. Moreover, the Mg-doped HfOx memristor exhibits excellent continuous conductance modulation characteristics under pulse voltage. First-principles calculations and conductive mechanism analysis show that Mg can migrate into the conductive filaments (CFs) by adjusting oxygen vacancy migration and defect states in the CFs, resulting in the improved RS performance of HfOx memristors. The reason why Mg doping rather than Ca doping could yield improved RS performances is clarified. Our work shows the unique functionality of Mg dopants in HfOx and provides a feasible way to improve RS performance of transition metal oxide memristors and its guiding principles.
Squirming in density-stratified fluids
Authors: Shaik Vaseem A. , Ardekani Arezoo M.
Published: October 2021

In this work, we study the axisymmetric motion of a prototypical swimming organism, a spherical squirmer, in a linearly density-stratified fluid. We assume the inertia is negligible, the stratification is weak, and the swimmer is oriented either vertically upward or downward. The swimmer acts as a settling particle or a neutrally buoyant organism depending on the relative magnitude of its density and the ambient fluid density. While the stratification reduces the speed of a settling particle, it increases (respectively, reduces) the speed of a neutrally buoyant puller (respectively, pusher). The stratification only affects the flow far from the swimmer and this far-field flow due to a settling particle (respectively, neutrally buoyant organism) at low advection of density is same as the flow due to a point-force (respectively, force-dipole) placed in a stratified fluid. The swimmer mixes the surrounding fluid. The mixing caused by a settling particle scales as the ratio of the particle size to the stratification length scale but the mixing due to a neutrally buoyant organism scales as the ratio of the buoyancy to the viscous forces. The latter mixing estimate is much larger than the previous estimate based on the force-dipole model of an organism but still negligible compared to the oceanic mixing. These results are useful to understand the stratification effects on the motility of the organism and the induced mixing.
Convergent Richtmyer–Meshkov instability on a light gas layer with perturbed inner and outer surfaces
Authors: Ding Juchun , Deng Xiaoming , Luo Xisheng
Published: October 2021

The instability of an annular helium gas layer surrounded by air with sinusoidal inner and outer interfaces, formed by a novel soap-film technique, impacted by a cylindrically convergent shock is experimentally studied in a semi-annular shock tube. Detailed evolution of the interfaces and wave patterns is captured by a high-speed Schlieren system. The focus is placed on the influences of layer thickness and phase difference between the inner and outer interfaces on the instability development. It is found that the larger the layer thickness, the quicker the early stage development of the outer interface. This is because the layer thickness affects the arrival time of the reflected shock (RS) at the outer interface and further determines the direction of baroclinic vorticity deposited on the outer interface by RS; namely, RS inhibits or promotes the instability growth depending on the layer thickness. It is also found that phase difference between the inner and outer perturbations produces a negligible (an evident) influence on the early stage (late-stage) instability growth at the outer interface, whereas a considerable (weak) influence on the early stage (late-stage) instability growth at the inner interface. This finding suggests that the early stage development of the outer (inner) interface can be modulated by changing the layer thickness (perturbation phase difference). Empirical coefficient in the Charakhch'an model [J. Appl. Mech. 41, 23–31 (2000)] is calculated to be β=0.52 by comparing the prediction with the experimental results. The model with β=0.52 gives a reasonable prediction of the post-reshock growth rate for all the cases considered in this work.
Positive charging of grains in an afterglow plasma is enhanced by ions drifting in an electric field
Authors: Chaubey Neeraj , Goree J. , Lanham Steven J. , Kushner Mark J.
Published: October 2021

In a plasma, the polarity of a dust grain's charge is typically negative, but it can reverse and become positive in an afterglow, when the power sustaining the plasma is switched off. This positive charging, which occurs in the afterglow's first few milliseconds, is studied for grains much larger than a few nm. It is hypothesized that the positive charging is enhanced by the presence of a dc electric field, which causes ions to drift through the neutral gas. A larger value of the reduced electric field E/N leads to a larger ion kinetic energy and thus a greater collection of positive charge on a grain. The maximum possible positive charge is attained if the grain's surface potential rises to match the ion kinetic energy, at a time before ions have departed and the grain's charge becomes frozen. Thereafter, when vacuum conditions prevail, the grain will retain its positive residual charge. In an experiment, dust grains were electrically levitated in a capacitively coupled plasma until the power was abruptly turned off. In the afterglow, grains fell faster than expected due to gravity alone, indicating a downward electric force, in the presence of a remaining dc electric field. Acceleration measurements yielded repeatable results for the residual charge's value, which was of the order +104e and increased with E/N, supporting the hypothesis.
Wildland Fire Behaviour
Authors: Finney Mark , McAllister Sara , Grumstrup Torben , Forthofer Jason
Published: October 2021

Wildland fires have an irreplaceable role in sustaining many of our forests, shrublands and grasslands. They can be used as controlled burns or occur as free-burning wildfires, and can sometimes be dangerous and destructive to fauna, human communities and natural resources. Through scientific understanding of their behaviour, we can develop the tools to reliably use and manage fires across landscapes in ways that are compatible with the constraints of modern society while benefiting the ecosystems.

The science of wildland fire is incomplete, however. Even the simplest fire behaviours – how fast they spread, how long they burn and how large they get – arise from a dynamical system of physical processes interacting in unexplored ways with heterogeneous biological, ecological and meteorological factors across many scales of time and space. The physics of heat transfer, combustion and ignition, for example, operate in all fires at millimetre and millisecond scales but wildfires can become conflagrations that burn for months and exceed millions of hectares.

Wildland Fire Behaviour: Dynamics, Principles and Processes examines what is known and unknown about wildfire behaviours. The authors introduce fire as a dynamical system along with traditional steady-state concepts. They then break down the system into its primary physical components, describe how they depend upon environmental factors, and explore system dynamics by constructing and exercising a nonlinear model. The limits of modelling and knowledge are discussed throughout but emphasised by review of large fire behaviours. Advancing knowledge of fire behaviours will require a multidisciplinary approach and rely on quality measurements from experimental research, as covered in the final chapters.
Potential for dietary competition between the threatened black-flanked rock-wallaby and sympatric western grey kangaroo
Authors: White Julia L. , Fleming Patricia A.
Published: October 2021

An overabundance of western grey kangaroo (Macropus fuliginosus) can detrimentally impact agriculture and compete with threatened fauna for food resources. In Paruna Wildlife Sanctuary, south-western Western Australia, kangaroos are common and widespread. By contrast, the endangered black-flanked rock-wallaby (Petrogale lateralis lateralis) are spatially constrained to rock refuges. We investigated the potential for dietary competition between these two species by measuring the overlap in their diets, spatial overlap in their foraging patches, and comparing their diets with food resource availability. A combination of scat analysis, passive IR camera trapping and vegetation surveys were employed around rock outcrops used by rock-wallabies within the sanctuary. Rock-wallaby diets were dominated by forbs, overlapping 56% with kangaroo diet, which included mostly browse and forbs. Some of their shared preferred food resources were spatially and/or temporally limited, suggesting potential competition for these food plants. There was also a 33% spatial overlap of foraging patches between the two species. The dietary and spatial overlap detected between rock-wallabies and kangaroos suggest there is potential for resource competition, which may be exacerbated if kangaroo numbers increase. Future conservation actions include monitoring western grey kangaroo densities and food plant availability. Population control for kangaroos may be required, particularly for increasingly hot and dry years, as predicted under climate change.
Greater glider (
Authors: Gracanin Ana , Pearce Andrew , Hofman Maaike , Knipler Monica , Mikac Katarina M.
Published: October 2021

The greater glider (Petauroides volans) is a difficult species to study because they are arboreal, spending the majority of their time in the canopy. Here we review methods used to capture greater gliders and describe methods that are more effective in capturing greater gliders while decreasing risks to animal welfare. The routine uses (1) detection surveys (three methods trialled) to identify hollows occupied by greater gliders, and (2) tree climbing of identified den trees by a qualified tree climber who extracts the greater glider by hand from the hollow if it is shallow enough or waits up to 60 min for the animal to emerge and then catches it by hand. Detection of gliders residing inside a hollow was most efficient by tracking gliders 2 h before dawn, when compared to stationary stag watching and spotlighting along short transects at last light. Once located, success rate for capturing greater gliders from a den by tree climbing and hand capture was 76% (22/29 attempted captures) compared to zero captures from a long-pole-and-net method. Detailed guidelines on the climb and catch method are provided.
Historical abundance and distribution of the native flat oyster (
Authors: Cook P. A. , Warnock B. , Gillies C. L. , Hams A. B.
Published: October 2021

Reefs of the flat oyster (Ostrea angasi) were once common along the southern coasts of Australia. Historical and current literature relating to O. angasi was used to identify bays and estuaries where this species once existed. In many estuaries of Western Australia, current populations are significantly lower than historical levels, including in Princess Royal Harbour and Oyster Harbour, near Albany. The main causes of the declines included overfishing, combined with the use of destructive fishing methods, such as dredging. Other factors, such as sedimentation, increased nutrient input and loss of seagrass, may have contributed to the loss of oyster reefs, and may have inhibited effective recovery. The possible impact of the protozoan pathogen Bonamia exitiosa is uncertain, although it is known to have severely affected flat oyster populations in other parts of the world. The fact that O. angasi reefs in Oyster Harbour did not recover after the fishery ceased suggests that restoration activities, aimed at restarting the ecosystem services that the oyster reefs once provided, should be undertaken. This paper suggests that the historical presence of O. angasi could be an effective starting point for prioritising potential restoration sites and details the prioritisation protocol that was used in recent restoration activities.
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

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

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

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

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

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

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

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

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

Marine 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.
Local Langlands correspondence for unitary groups via theta lifts
Authors: Chen Rui , Zou Jialiang
Published: October 2021

Using the theta correspondence, we extend the classification of irreducible representations of quasi-split unitary groups (the so-called local Langlands correspondence, which is due to Mok) to non quasi-split unitary groups. We also prove that our classification satisfies some good properties, which characterize it uniquely. In particular, this paper provides an alternative approach to the works of Kaletha-Mínguez-Shin-White and Mœglin-Renard.
A legal shot? Police Gun Violence and Individual Accountability in Miami
Authors: Jeursen Thijs
Published: October 2021

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.
1263 Does Multimorbidity Influence the Likelihood of Receiving A Total Hip Replacement for Osteoarthritis?
Authors: Ferguson R , Prieto-Alhambra D , Peat G , Jordan K , Valderas J , Yu D , Glyn-Jones  , Silman A
Published: October 2021

Introduction

Limited data are available on the influence of multimorbidity on the outcomes of total hip replacement for patients with hip osteoarthritis. Thus, patients with multimorbidity and their clinicians across the UK are making decisions on whether or not to proceed with total hip replacement without clear information available on the potential risks and benefits. It is not known how such patients are currently managed. The aim of this study was to investigate the influence of multimorbidity on the likelihood of receiving total hip replacement in patients with hip osteoarthritis in the UK.

Method

A cohort study was performed, with cohort comprised of all patients over 65 years with a diagnosis of hip osteoarthritis recorded in Clinical Practice Research Datalink. Severity of multimorbidity burden was measured using four different scores (Charlson Comorbidity Index, Electronic Frailty Index, count of drugs prescribed, count of primary care interactions). The outcome was total hip replacement, evaluated using Kaplan-Meier survival and competing-risk analyses.

Results

28,025 patients were included. 10,948 patients underwent total hip replacement. Increased multimorbidity burden was associated with decreased likelihood of undergoing surgery, irrespective of the method of scoring multimorbidity. Electronic Frailty Index had the largest difference between categories. Adjusted hazard ratio (‘severe multimorbidity versus ‘fit’) was 0.34 (95% CI 0.22, 0.51).

Conclusions

Patients with hip osteoarthritis and concurrent multimorbidity were up to two thirds less likely to undergo total hip replacement. Whether this difference in healthcare management is appropriate depends on to what extent multimorbidity influences the outcomes of total hip replacement.
Primary neural leprosy: clinical, neurophysiological and pathological presentation and progression
Authors: Tomaselli Pedro J , dos Santos Diogo F , dos Santos André C J , Antunes Douglas E , Marques Vanessa D , Foss Norma T , Moreira Carolina L , Nogueira Patrícia T B , Nascimento Osvaldo J M , Neder Luciano , Barreira Amilton A , Frade Marco A , Goulart Isabela M B , Marques Wilson
Published: October 2021

Disability in leprosy is a direct consequence of damage to the peripheral nervous system which is usually worse in patients with no skin manifestations, an underdiagnosed subtype of leprosy known as primary neural leprosy. We evaluated clinical, neurophysiological and laboratory findings of 164 patients with definite and probable primary neural leprosy diagnoses. To better understand the disease progression and to improve primary neural leprosy clinical recognition we compared the characteristics of patients with short (≤12 months) and long (>12 months) disease duration.

Positive and negative symptoms mediated by small-fibres were frequent at presentation (∼95%), and symptoms tend to manifest first in the upper limbs (∼68%). There is a consistent phenotypic variability between the aforementioned groups. Deep sensory modalities were spared in patients evaluated within the first 12 months of the disease, and were only affected in patients with longer disease duration (∼12%). Deep tendon reflexes abnormalities were most frequent in patients with longer disease duration (P < 0.001), as well as motor deficits (P = 0.002). Damage to large fibres (sensory and motor) is a latter event in primary neural leprosy. Grade-2 disability and nerve thickening was also more frequent in cases with long disease duration (P < 0.001). Primary neural leprosy progresses over time and there is a marked difference in clinical phenotype between patients with short and long disease duration. Patients assessed within the first 12 months of symptom onset had a non-length-dependent predominant small-fibre sensory neuropathy, whilst patients with chronic disease presented an asymmetrical all diameter sensory-motor neuropathy and patchily decreased/absent deep tendon reflexes.