bluuebunny/crossref_metadata_2025 huggingface dataset:
GaiaData Release 3
Authors: Rimoldini Lorenzo , Holl Berry , Gavras Panagiotis , Audard Marc , De Ridder Joris , Mowlavi Nami , Nienartowicz Krzysztof , Jevardat de Fombelle Grégory , Lecoeur-Taïbi Isabelle , Karbevska Lea , Evans Dafydd W. , Ábrahám Péter , Carnerero Maria I. , Clementini Gisella , Distefano Elisa , Garofalo Alessia , García-Lario Pedro , Gomel Roy , Klioner Sergei A. , Kruszyńska Katarzyna , Lanzafame Alessandro C. , Lebzelter Thomas , Marton Gábor , Mazeh Tsevi , Molinaro Roberto , Panahi Aviad , Raiteri Claudia M. , Ripepi Vincenzo , Szabados László , Teyssier David , Trabucchi Michele , Wyrzykowski Łukasz , Zucker Shay , Eyer Laurent
Published: January 2023

Context.GaiaDR3 contains 1.8 billion sources withG-band photometry, 1.5 billion of which withGBPandGRPphotometry, complemented by positions on the sky, parallax, and proper motion. The median number of field-of-view transits in the three photometric bands is between 40 and 44 measurements per source and covers 34 months of data collection.

Aims.We pursue a classification of Galactic and extra-galactic objects that are detected as variable byGaiaacross the whole sky.

Methods.Supervised machine learning (eXtreme Gradient Boosting and Random Forest) was employed to generate multi-class, binary, and meta-classifiers that classified variable objects with photometric time series in theG,GBP, andGRPbands.

Results.Classification results comprise 12.4 million sources (selected from a much larger set of potential variable objects) and include about 9 million variable stars classified into 22 variability types in the Milky Way and nearby galaxies such as the Magellanic Clouds and Andromeda, plus thousands of supernova explosions in distant galaxies, 1 million active galactic nuclei, and almost 2.5 million galaxies. The identification of galaxies was made possible by the artificial variability of extended objects as detected byGaia, so they were published in thegalaxy_candidatestable of theGaiaDR3 archive, separate from the classifications of genuine variability (in thevari_classifier_resulttable). The latter contains 24 variability classes or class groups of periodic and non-periodic variables (pulsating, eclipsing, rotating, eruptive, cataclysmic, stochastic, and microlensing), with amplitudes from a few milli-magnitudes to several magnitudes.
Experimental and computational study of triphenylamine dyes for photovoltaic cell applications
Authors: Aboulouard Abdelkhalk , Altunkum Dilara , Babur Şaş Emine , Bensemlali Meryem , Can Mustafa , Nasrellah Hamid , El Idrissi Mohammed
Published: January 2023

We investigate a new family of the triphenylamine dyes by the help of quantum physics computations relaying on density functional theory (DFT) including time dependent-density functional theory (TD-DFT) calculations. We examine the distributions of molecular orbitals, the light collection efficiency, the absorption properties, the oscillator forces, the electronic excitation energy, and the injection driving forces. Among others, we reveal that the organic dyes involve a narrow band gap and good optical behaviors. Moreover, we approach the photovoltaic features of such novel materials. We find that they exhibit the capacity to inject the electrons into the conduction band. We expect that the obtained results could support the applications of such materials in solar energy productions.
Utilization of steel plant waste and by-products in reactive coke making
Authors: Chandaliya Vimal Kumar , Trivedy Saibal , Tiwary Avinash , Suresh Asaithambi , Dash Pratik Swarup , Sahoo Abanti
Published: January 2023

Coke is used in the blast furnace as a fuel. To produce the coke, metallurgical coals are blended in the coal blend. But the reserves of the coking coals are limited in India. Hence, there is a need to use the non-coking coals in the blast furnace. However, there is a limitation for use of non-coking coals in the coal blend for coke making. So, an attempt was made in this study to increase the amount of non-coking coals in the coal blends. In the present work, briquetting technique was used for producing briquettes having non-coking coal up to 40%, and rest is slightly coking coal along with reactive materials and binders. Those samples were compressed in a hydraulic press to form briquettes which were then carbonized. The strength and reactivity tests of those coal briquettes were carried out to determine the optimum addition proportion of reactive materials and binders. It was found that 10% of reactive material was optimum for briquette making. The use of coal tar pitch and petroleum pitch binders were also studied, and their optimum values were obtained as 3%. It was also found that coal briquettes comprising of LD (Linz-Donawitz) slag and iron oxide exhibited higher reactivity as compared to other reactive materials.
Équipe mobile de crise intrafamiliale : un dispositif d’évaluation et d’accès aux soins pour les enfants exposés aux violences conjugales en partenariat avec la Gendarmerie nationale
Authors: Tordjman Sylvie , Oriol Cécile , Charrier Annaëlle
Published: January 2023

Les enfants exposés aux violences conjugales constituent une population vulnérable en possible souffrance psychique et à risque de développer ultérieurement des conduites d’agression ou de victimisation. La difficulté pour les équipes soignantes est de pouvoir accéder précocement à ces enfants car la plupart des familles concernées ne viennent pas consulter spontanément. Il est donc important d’aller à la rencontre des enfants exposés aux violences conjugales et de leurs familles grâce à des équipes mobiles de pédopsychiatrie pour évaluer les possibles difficultés psychiques. Ces équipes mobiles sont alertées par des professionnels de première ligne qui ont connaissance de ces situations (comme par exemple, les gendarmes, policiers, travailleurs sociaux, pédiatres, médecins généralistes, professionnels de l’Éducation nationale, etc.). L’efficacité de l’accès aux soins psychiques pour ces enfants dépend de la réactivité de la prise en charge (dans les 72 heures qui suivent l’intervention des professionnels de première ligne, ici la Gendarmerie nationale) et de la nécessité de pouvoir se déplacer au domicile de ces familles (les premiers rendez-vous ont lieu, à la demande des parents, tout d’abord chez eux).
Temporalité psychique et traitement de l’affect dans un cas de schizophrénie
Authors: Feugas Valentine , Azoulay Catherine
Published: January 2023

En France, les politiques de santé publique en psychiatrie visent à l’inclusion sociale et à la mise en place de projet pour les patients souffrant de troubles psychotiques. La possibilité de s’inscrire dans des projets dépend de la capacité à investir de la temporalité psychique. Elle suppose d’investir le temps chronométrique qui doit pouvoir se lier à une représentation subjective et affectée du temps. Néanmoins, chez les patients psychotiques, les capacités de liaison apparaissent particulièrement mises à mal par les processus de déliaison. Ainsi, nous nous interrogeons sur la nature de l’investissement du temps chez ces patients. Nous proposons en premier lieu un aperçu de la littérature psychanalytique et psychiatrique sur le concept de temporalité psychique. La littérature montre que si certains patients inhibés ont une représentation figée du temps, d’autres patients investissent une représentation confuse ou désorganisée de la temporalité. Afin d’illustrer nos propos nous avons souhaité étudier l’investissement de la temporalité dans le protocolede Rorschach et de TAT d’Élise, une patiente schizophrène. Chez cette patiente, l’utilisation des processus primaires semble lui permettre d’investir une temporalité dynamique et vivante. D’une part, ils organisent une rythmicité entre l’organisation et la désorganisation de la pensée. D’autre part, ils lui permettent une alternance entre un passé lié à des affects mélancoliques et un futur marqué par les mouvements maniaques. Enfin les processus primaires semblent avoir permis l’inscription en souvenir d’une idée délirante.
Grundlagen ethischer Entscheidungen im OP – eine Annäherung
Authors: Michalsen Andrej , Elbe Christian
Published: January 2023

Bei schwer verletzten oder erheblich vorerkrankten Patienten im OP muss das Behandlungsteam gelegentlich schwerwiegende und folgenreiche Entscheidungen im Hinblick auf Therapie, Therapieumfang und Therapieziel treffen. Welche ethischen Grundsätze und Prinzipien dabei zu beachten sind, erfahren Sie im CNE Schwerpunkt.
Fallbeispiel: Perioperative ethische Entscheidungsfindung
Authors: Elbe Christian , Marton Klaudia , Michalsen Andrej
Published: January 2023

Wenn es perioperativ erforderlich ist, von einem kurativen zu einem palliativen Therapieziel zu wechseln, sollte diese gravierende Entscheidung grundsätzlich auf ethischen Prinzipien basieren. Hierbei ist es sinnvoll, das gesamte multiprofessionelle Team einzubeziehen. Anhand eines Fallbeispiels werden klinisch-ethische Entscheidungen im Operationssaal während der perioperativen Behandlungsphase erläutert.
The Effect of Cycloplegia on the Biometer for Optical Low-coherence Reflectometry
Authors: Yakar Konuralp
Published: January 2023

Purpose The aim of this study was to compare the biometric measurements and different formulas for calculating intraocular lens (IOL) power by using the Lenstar LS900 biometer for optical low-coherence reflectometry before and after induction of cycloplegia in the adult population.

Materials and Methods In this cross-sectional study, 168 eyes of 168 healthy volunteers aged 40 – 86 years (59.22 ± 11.57) were included. Biometric measurements, including axial length (AL), anterior chamber depth (ACD), keratometry (K1 and K2), and white-to-white (WTW) were compared using a Lenstar LS900 optical biometer before and after induction of cycloplegia with 1% cyclopentolate. The IOL power was also compared using six different formulas (Barrett Universal II, Haigis, SRK/T, Hoffer Q, Holladay, and SRK-II) for the AcrySof MA60AC IOL before and after induction of cycloplegia.

Results There were no statistically significant differences in AL, K1 and K2, or WTW measurements before and after induction of cycloplegia. There was a significant increase only in ACD from the biometric parameters after the induction of cycloplegia (p < 0.05). Despite this change, there were no significant changes in IOL power calculations using the six different formulas before and after induction of cycloplegia.

Conclusions This study demonstrated that IOL power measurements using the Lenstar LS900 can be performed after cycloplegia.
Iodine-Catalyzed One-Pot Multicomponent Synthesis of Pyrrolo/indolo[1,2-a]quinoxalines Substituted with ortho-Carbonyl Alkyl Benzoates/Benzoic Acids via Spirocyclic Ring Opening
Authors: Raghunadh Akula , Simhachalam Gorle , Rao L. Vaikunta , Samsonu Dasi
Published: January 2023

An efficient iodine-catalyzed cascade coupling protocol was developed for the synthesis of tetracyclic and pentacyclic pyrrolo[1,2-a]quinoxaline and indolo[1,2-a]quinoxaline derivatives via the iodine-mediated oxidative Pictet–Spengler reaction of 2-(1H-pyrrol-1-yl)aniline or 2-(1H-indol-1-yl)aniline with ninhydrin followed by spirocyclic ring opening with alcohol/water. The target compounds were obtained in good-to-excellent yields with a broad substrate scope.
A Comparative Evaluation of Malocclusion and Associated Risk Factors in Patients Suffering with Temporomandibular Disorders: A Systematic Review and Meta-analysis of Observational Studies
Authors: Trivedi Anshul , Agarwal Saumya , Gupta Ishita , Goswami Roma , Mowar Apoorva
Published: January 2023

An association of malocclusion as potent risk factor to temporomandibular disorders (TMDs) has been under question since ages. A systematic review and meta-analysis of case–control and cohort studies was performed following the PRISMA (Preferred Reporting Items for Systematic Reviews and Meta-analyses)guidelines to compare the prevalence of TMDs in subjects with malocclusion to patients with normocclusion. The study was registered on the PROSPERO database (identifier: CRD42022315863). An elaborate electronic database (PubMed, DOAJ, and Google Scholar) and manual search resulted in 325 articles, among which 7 and 3 articles were shortlisted for qualitative and quantitative review, respectively, for articles published from January 2000 until December 2021. A total of 4,183 participants were included in this review with age range of 5 to 75 years. New–Castle Ottawa tool was employed for quality assessment, while I 2 statistical value for meta-analysis was interpreted in accordance with the Cochrane Handbook for Systematic Reviews of Interventions. Fixed effect model was applied as, I 2 = 0. Pooled odds ratio with 95% confidence interval for all three studies was 14.64 [4.43, 48.36] suggesting that TMDs were 14.64 times more associated in patients with malocclusion (cases) than patients without malocclusion (controls). Within the limitations and fair quality of evidence of the current review and analysis, TMDs and associated symptoms are more prevalent in patients with malocclusion with or without more associated factors.
Blow-up solutions for a class of divergence Schrödinger equations with intercritical inhomogeneous nonlinearity
Authors: Zheng Bowen , Ozawa Tohru , Zhai Jian
Published: January 2023

In this article, we study a class of divergence Schrödinger equations with intercritical inhomogeneous nonlinearity i∂tu+∇⋅(|x|b∇u)=−|x|c|u|pu,(x,t)∈Rn×R, where 2 − n < b < 2, c ≥ b − 2, and 2(2 − b) − bp < np − 2c < (2 − b)(p + 2). We prove the blow-up of radial solutions for the negative energy by using a virial-type estimate. In addition, we derive a generalized Gagliardo–Nirenberg inequality and use it to establish the general blow-up criteria for radial solutions with non-negative energy.
Simulating structured fluids with tensorial viscoelasticity
Authors: Floyd Carlos , Vaikuntanathan Suriyanarayanan , Dinner Aaron R.
Published: January 2023

We consider an immersed elastic body that is actively driven through a structured fluid by a motor or an external force. The behavior of such a system generally cannot be solved analytically, necessitating the use of numerical methods. However, current numerical methods omit important details of the microscopic structure and dynamics of the fluid, which can modulate the magnitudes and directions of viscoelastic restoring forces. To address this issue, we develop a simulation platform for modeling viscoelastic media with tensorial elasticity. We build on the lattice Boltzmann algorithm and incorporate viscoelastic forces, elastic immersed objects, a microscopic orientation field, and coupling between viscoelasticity and the orientation field. We demonstrate our method by characterizing how the viscoelastic restoring force on a driven immersed object depends on various key parameters as well as the tensorial character of the elastic response. We find that the restoring force depends non-monotonically on the rate of diffusion of the stress and the size of the object. We further show how the restoring force depends on the relative orientation of the microscopic structure and the pulling direction. These results imply that accounting for previously neglected physical features, such as stress diffusion and the microscopic orientation field, can improve the realism of viscoelastic simulations. We discuss possible applications and extensions to the method.
Alignment and use of microbeam with full-field x-ray microscopes
Authors: Shibazaki Yuki , Wakabayashi Daisuke , Suzuki Yoshio , Nishimura Ryutaro , Hirano Keiichi , Sugiyama Hiroshi , Igarashi Noriyuki , Funamori Nobumasa
Published: January 2023

Demonstration tests of the alignment of Fresnel zone plate focusing optics using a full-field x-ray microscope and microbeam x-ray diffraction measurements combined with the full-field x-ray microscope were performed. It was confirmed that the full-field x-ray microscope enables direct two-dimensional observation of a microbeam with sub-micrometer spatial resolution. This allowed visualization of the misalignment of the focusing optics, resulting in accurate alignment of the optics within a short time. In addition, the microscope could be used to observe the sample as well as the microbeam, which enabled clarification of the position and two-dimensional shape of the microbeam on the sample. This realized a measurement procedure that a 100-μm-size sample was imaged with sub-micrometer spatial resolution, and then, microbeam-use measurements were performed for only the region of interest determined by the microscope, which has been difficult with conventional microbeam applications. The combination of observations by a full-field x-ray microscope and measurements using a microbeam is expected to open a new style of measurement.
Fast Fourier transform Ångström method for fast thermal measurements of microfibers
Authors: Chen Yulin , Lv You , Jiang Xinyue , Huang Haotian , Zhu Yuan
Published: January 2023

The Ångström method is a promising thermal diffusivity measurement method for microfibers. Based on the heat-loss Ångström method and micro-Ångström method, the FFT (Fast Fourier Transform) Ångström method can be used to shorten the testing time and enhance the testing robustness of thermal conductivity. The FFT Ångström uses multi-frequency superimposed input signals and then uses the FFT for frequency division analysis. Since different frequencies are input at the same time, the measuring time is greatly reduced. Moreover, because different frequencies are input in the same environment, the random and environmental perturbations of the frequencies are the same, enhancing the fitting robustness. In contrast, the single feeding strategy is relatively time-consuming, and its measurement homogeneity for different frequencies cannot be guaranteed. By comparing the measurement results from a multi-frequency input and separated single-frequency input, the FFT shows good feasibility and robustness. It may also have great potential in other types of thermal wave measurements.
Range-angle-dependent beamforming for FDA radar with Hamming interelement spacing and sinusoidal multicarrier approach
Authors: Tan Ming , Bao Lei , Zhu Hang , Song Wei , Wang Xinmei
Published: January 2023

By employing a tiny frequency offset across the array elements, a frequency diverse array (FDA) produces a beampattern with the property of being range-angle-dependent. However, the beampattern of a traditional FDA has many maxima at undesired range-angle couples, which is unfavorable for target localization and jamming suppression. In this paper, a novel FDA scheme with Hamming interelement spacing, namely, the HIS-FDA, is proposed. By adopting Hamming window weighted interelement spacing and frequency offsets optimized by the genetic algorithm, the HIS-FDA produces a dot-shaped well-performed beampattern, which has superior performance over the existing FDA systems, especially in the angle dimension. The multiple input multiple output technique and multiple matched filters are employed at the receiver to solve the time-varying problem. A new multicarrier (MC) technique termed the sinusoidal MC approach is also presented to improve the beampattern performance, especially in the range dimension. Our proposed scheme outperforms the existing FDA systems in terms of the mainlobe width in the range and angle profiles, the sidelobe level, and the range-angle spatial region of the mainlobe. Comparison results are provided to validate the superiority of the proposed scheme.
Paper-based evaporation concentrators: Comparison of linear and radial geometries
Authors: Syms Richard R. A. , Wright Steven
Published: January 2023

Paper-based evaporation concentrators with linear and radial geometries are compared. A new method of finding approximate analytic solutions of the advection–dispersion equation is proposed, based on the behavior of concentrators with infinite sources. Analytic approximations are compared with numerical solutions, and the advantage of radial concentration is highlighted: linear concentration rates scale with the square root of the Péclet number Pe while radial rates scale with Pe itself, leading to faster radial concentration beyond a critical value. Experiments are performed with Brilliant Blue FCF dye, using optical transmission and the Beer–Lambert law for quantitation. Dye concentrations are chosen for operation in the linear absorbance regime. Radial concentration is demonstrated under ambient conditions on filter paper disks with 60 mm diameter evaporation areas fed from a perimeter source, in a reverse of the well-known “coffee stain” experiment. Airflow enhanced concentration in strips and wedges is compared directly, using laser-patterned chromatography paper. The advantage of radial concentration is confirmed (and enhanced by diversion of concentrate to the corners of strips) and concentration factors greater than ∼500 (the dynamic range of measurement) are obtained in ∼2 h using 30 mm long columns.
The BKT transition and its dynamics in a spin fluid
Authors: Bissinger Thomas , Fuchs Matthias
Published: January 2023

We study the effect of particle mobility on phase transitions in a spin fluid in two dimensions. The presence of a phase transition of the BKT universality class is shown in an off-lattice model of particles with purely repulsive interaction employing computer simulations. A critical spin wave region 0 < T < TBKT is found with a nonuniversal exponent η(T) that follows the shape suggested by BKT theory, including a critical value consistent with ηBKT = 1/4. One can observe a transition from power-law decay to exponential decay in the static correlation functions at the transition temperature TBKT, which is supported by finite-size scaling analysis. A critical temperature TBKT = 0.17(1) is suggested. Investigations into the dynamic aspects of the phase transition are carried out. The short-time behavior of the incoherent spin autocorrelation function agrees with the Nelson–Fisher prediction, whereas the long-time behavior differs from the finite-size scaling known for the static XY model. Analysis of coherent spin wave dynamics shows that the spin wave peak is a propagating mode that can be reasonably well fitted by hydrodynamic theory. The mobility of the particles strongly enhances damping of the spin waves, but the model still lies within the dynamic universality class of the standard XY model.
Inertial particles in superfluid turbulence: Coflow and counterflow
Authors: Shukla Sanjay , Verma Akhilesh Kumar , Shukla Vishwanath , Bhatnagar Akshay , Pandit Rahul
Published: January 2023

We use pseudospectral direct numerical simulations to solve the three-dimensional (3D) Hall–Vinen–Bekharevich–Khalatnikov (HVBK) model of superfluid helium. We then explore the statistical properties of inertial particles, in both coflow and counterflow superfluid turbulence (ST) in the 3D HVBK system; particle motion is governed by a generalization of the Maxey–Riley–Gatignol equations. We first characterize the anisotropy of counterflow ST by showing that there exist large vortical columns. The light particles show confined motion as they are attracted toward these columns, and they form large clusters; by contrast, heavy particles are expelled from these vortical regions. We characterize the statistics of such inertial particles in 3D HVBK ST: (1) The mean angle Θ(τ) between particle positions, separated by the time lag τ, exhibits two different scaling regions in (a) dissipation and (b) inertial ranges, for different values of the parameters in our model; in particular, the value of Θ(τ), at large τ, depends on the magnitude of Uns. (2) The irreversibility of 3D HVBK turbulence is quantified by computing the statistics of energy increments for inertial particles. (3) The probability distribution function (PDF) of energy increments is of direct relevance to recent experimental studies of irreversibility in superfluid turbulence; we find, in agreement with these experiments, that, for counterflow ST, the skewness of this PDF is less pronounced than its counterparts for coflow ST or for classical fluid turbulence.
Clustering and link prediction for mesoscopic COVID-19 transmission networks in Republic of Korea
Authors: Kwon Okyu , Jo Hang-Hyun
Published: January 2023

We analyze the dataset of confirmed cases of severe acute respiratory syndrome coronavirus 2 (COVID-19) in the Republic of Korea, which contains transmission information on who infected whom as well as temporal information regarding when the infection possibly occurred. We derive time series of mesoscopic transmission networks using the location and age of each individual in the dataset to see how the structure of these networks changes over time in terms of clustering and link prediction. We find that the networks are clustered to a large extent, while those without weak links could be seen as having a tree structure. It is also found that triad-based link predictability using the network structure could be improved when combined with additional information on mobility and age-stratified contact patterns. Abundant triangles in the networks can help us better understand mixing patterns of people with different locations and age groups, hence the spreading dynamics of infectious disease.
An efficient technique to approximate the nonlinear fractional Burgers–Fisher model in the Caputo sense
Authors: Mesgarani H. , Aghdam Y. Esmaeelzade , Jafari B.
Published: January 2023

The computation of the nonlinear fractional Burgers–Fisher problem stated in the Caputo sense is the topic of this paper. The model depicts the issue of biological invasion and can be found in a variety of fields, including ecology, physiology, and basic stage transition situations. To produce the time discretization, the suggested methodology employs a one-order correct expression in the first process. To generate the full-discretization in the second level, the spectral collocation method approach that relies on the Legendre basis is presented. The theoretical investigation confirms the temporal discretized formulation’s stability and convergence, which are examined in relation to the associated norm. Three test examples demonstrate the computing capability and efficiency of the approach. We can use the provided approach to resolve more engineering and physics models and can also increase the convergence order of the method.
TeraChem protocol buffers (TCPB): Accelerating QM and QM/MM simulations with a client–server model
Authors: Cruzeiro Vinícius Wilian D. , Wang Yuanheng , Pieri Elisa , Hohenstein Edward G. , Martínez Todd J.
Published: January 2023

The routine use of electronic structures in many chemical simulation applications calls for efficient and easy ways to access electronic structure programs. We describe how the graphics processing unit (GPU) accelerated electronic structure program TeraChem can be set up as an electronic structure server, to be easily accessed by third-party client programs. We exploit Google’s protocol buffer framework for data serialization and communication. The client interface, called TeraChem protocol buffers (TCPB), has been designed for ease of use and compatibility with multiple programming languages, such as C++, Fortran, and Python. To demonstrate the ease of coupling third-party programs with electronic structures using TCPB, we have incorporated the TCPB client into Amber for quantum mechanics/molecular mechanics (QM/MM) simulations. The TCPB interface saves time with GPU initialization and I/O operations, achieving a speedup of more than 2× compared to a prior file-based implementation for a QM region with ∼250 basis functions. We demonstrate the practical application of TCPB by computing the free energy profile of p-hydroxybenzylidene-2,3-dimethylimidazolinone (p-HBDI−)—a model chromophore in green fluorescent proteins—on the first excited singlet state using Hamiltonian replica exchange for enhanced sampling. All calculations in this work have been performed with the non-commercial freely-available version of TeraChem, which is sufficient for many QM region sizes in common use.
Polarization switching dynamics simulation by using the practical distribution of ferroelectric properties
Authors: Kim Cheol Jun , Lee Jae Yeob , Ku Minkyung , Lee Seung Won , Ahn Ji-Hoon , Kang Bo Soo
Published: January 2023

We investigated the internal bias field and coercive field in a typical ferroelectric thin-film capacitor and simulated polarization switching dynamics using Euler's method. The simulation results agreed well with the experimental results and reflected the well-known polarization domain switching model in which the polarization switching occurs on the order of nucleation, growth, and coalescence. The fit parameters (damping parameters affecting the polarization change rate) also followed a certain distribution. When the expected value was used instead of full distribution, the simulation results did not agree well with corresponding experimental results. The simulation results suggested no domain structure in the polarization switching dynamics, indicating that the polarization domain structure was affected by the distribution of the fit parameters. Our results demonstrate the possibility of simulation using realistic distribution of ferroelectric properties.
Effect of doped nano-SiO2, Al2O3, and polyhedral oligomeric sesquisiloxane on the thermodynamic properties of cellulose
Authors: Ding Can , Liu Luotian , Feng Lu
Published: January 2023

Cellulose insulation paper is an essential part of the transformer oil-paper insulation system, and many types of nano-modified insulating paper are available. For studying the effects of various nano-modified molecules on cellulose and the differences in performance, the pure cellulose model and polyoctaaminophenylsesquioxane and grafted 3-aminopropyltriethoxysilane (KH550) SiO2 and Al2O3 cellulose models were developed using molecular dynamics methods, and the mechanical properties and thermally stability were calculated and compared. The findings show that, in general, all three nano-modification models improved the thermal stability and mechanical properties, with nano-SiO2-KH550 cellulose having the best overall modification effect. In terms of mechanical properties, the nano-SiO2-KH550 cellulose showed the largest increase in compressive strength, with an 18.1% improvement. In terms of thermal stability, the KH550 grafted nano-silica/cellulose composite model showed the best modification effect, as evidenced by the smaller cohesive energy density and free volume region compressing the space between cellulose molecules, making the modified cellulose more compact internally, thus achieving the effect of inhibiting the movement of cellulose chains.
Large eddy simulations of turbulent flow based on a removal of energy production through nonlinear interactions
Authors: Sun Guangrui , Yang Lele
Published: January 2023

In large eddy simulations (LES), nonlinear dispersive subgrid scale (SGS) models are usually found to be not sufficiently dissipative. In this work, a new model is proposed to directly remove the unphysical energy accumulation due to the nonlinear terms. The model can be obtained from two approaches, either based on the energy transfer in multi-level scales or derived from the kinetic energy equation. Moreover, a gradient-type modification is included to ensure Galilean invariance and generate extra dissipative effect, which is found to have negligible impact on the ideal energy removal. We compare the present model with other structural models and regularization techniques both theoretically and numerically. We show that because of the reduction of energy production at desired scales, the collective effect of our new model was able to provide sufficient SGS transfer in energy cascade without the help of extra dissipative terms. The scale separation is facilitated by a smooth low-pass filter, which becomes increasingly more active for higher wavenumbers. Since filtering already takes the grid size into account, the model is capable of consistently produce accurate results for all the test cases of wall-bounded turbulence. We believe our results further emphasized the importance of attenuating the energy pileup in LES and showed that it is possible to overcome the issue through a simple but effective modification of the nonlinear term.
Physicochemical, volatile compounds, oxidative and sensory profiles of the Longissimus muscle of six South African sheep breeds
Authors: Olagbegi Bosede R. , Chikwanha Obert C. , Katiyatiya Chenaimoyo L. F. , Marais Jeannine , Molotsi Annelin H. , Dzama Kennedy , Mapiye Cletos
Published: January 2023

Context The scarcity of water and feed for sheep is a characteristic feature in the dryland areas of South Africa, and adversely affects meat production and quality. To address this challenge, breeds with high water, feed and production efficiencies must be used to produce meat of desirable quality. Aim The study aimed to compare physicochemical, volatile compounds, oxidative and sensory profiles of the Longissimus muscle from selected South African sheep breeds raised under intensive feeding conditions. Methods Physicochemical, oxidative, volatile compounds and sensory profiles of the Longissimus muscle from lambs of indigenous (Damara, n = 10; Pedi, n = 8), indigenous composite (Dorper, n = 10; Meatmaster, n = 9) and exotic composite (Dohne Merino, n = 10; South African Merino, n = 10) breeds that were penned individually and fed a lamb-finishing diet ad libitum over a 42-day test period were evaluated. Results Dohne Merino had the highest intramuscular fat content, whereas Damara and Pedi had the lowest (P ≤ 0.05). Meat lightness increased over time, with Pedi having the highest values on Day 7 of retail display at 4°C, followed by the Merinos (P ≤ 0.05). On Day 7, meat from the Merinos had the highest lipid oxidation values, whereas Damara and Pedi had the lowest (P ≤ 0.05). The lowest meat protein oxidation values on Day 7 were recorded for the Meatmaster, followed by Dohne Merino (P ≤ 0.05). Relative to the other breeds, Dohne Merino had the greatest concentrations of alcohols, aldehydes and acidic volatile compounds, and the lowest concentrations of esters (P ≤ 0.05). In addition, the Merinos had meat that was slightly more tender and juicy (P ≤ 0.05) than that of Damara and Dorper. Conclusions Even though indigenous breeds produced meat with comparable oxidative shelf-life and sensory quality attributes to composite breeds under intensive feeding conditions, they had leaner meat than the later breeds. Implications The observed variations in meat physicochemical and oxidative shelf-life parameters allow producers to select breeds that are best suited to their production systems, resources and market requirements.
Chaperone-assisted selective autophagy targets filovirus VP40 as a client and restricts egress of virus particles
Authors: Liang Jingjing , Djurkovic Marija A. , Shtanko Olena , Harty Ronald N.
Published: January 2023

The filovirus VP40 protein directs virion egress, which is regulated either positively or negatively by select VP40–host interactions. We demonstrate that host BAG3 and HSP70 recognize VP40 as a client and inhibit the egress of VP40 virus-like particles (VLPs) by promoting degradation of VP40 via Chaperone-assisted selective autophagy (CASA). Pharmacological inhibition of either the early stage formation of the VP40/BAG3/HSP70 tripartite complex, or late stage formation of autolysosomes, rescued VP40 VLP egress back to WT levels. The mechanistic target of rapamycin complex 1 (mTORC1) is a master regulator of autophagy, and we found that surface expression of EBOV GP on either VLPs or an infectious VSV recombinant virus, activated mTORC1. Notably, pharmacological suppression of mTORC1 signaling by rapamycin activated CASA in a BAG3-dependent manner to restrict the egress of both VLPs and infectious EBOV in Huh7 cells. In sum, our findings highlight the involvement of the mTORC1/CASA axis in regulating filovirus egress.
Transformation of acoustic information to sensory decision variables in the parietal cortex
Authors: Yao Justin D. , Zemlianova Klavdia O. , Hocker David L. , Savin Cristina , Constantinople Christine M. , Chung SueYeon , Sanes Dan H.
Published: January 2023

The process by which sensory evidence contributes to perceptual choices requires an understanding of its transformation into decision variables. Here, we address this issue by evaluating the neural representation of acoustic information in the auditory cortex-recipient parietal cortex, while gerbils either performed a two-alternative forced-choice auditory discrimination task or while they passively listened to identical acoustic stimuli. During task engagement, stimulus identity decoding performance from simultaneously recorded parietal neurons significantly correlated with psychometric sensitivity. In contrast, decoding performance during passive listening was significantly reduced. Principal component and geometric analyses revealed the emergence of low-dimensional encoding of linearly separable manifolds with respect to stimulus identity and decision, but only during task engagement. These findings confirm that the parietal cortex mediates a transition of acoustic representations into decision-related variables. Finally, using a clustering analysis, we identified three functionally distinct subpopulations of neurons that each encoded task-relevant information during separate temporal segments of a trial. Taken together, our findings demonstrate how parietal cortex neurons integrate and transform encoded auditory information to guide sound-driven perceptual decisions.
Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2
Authors: Gahbauer Stefan , Correy Galen J. , Schuller Marion , Ferla Matteo P. , Doruk Yagmur Umay , Rachman Moira , Wu Taiasean , Diolaiti Morgan , Wang Siyi , Neitz R. Jeffrey , Fearon Daren , Radchenko Dmytro S. , Moroz Yurii S. , Irwin John J. , Renslo Adam R. , Taylor Jenny C. , Gestwicki Jason E. , von Delft Frank , Ashworth Alan , Ahel Ivan , Shoichet Brian K. , Fraser James S.
Published: January 2023

The nonstructural protein 3 (NSP3) of the severe acute respiratory syndrome-coronavirus-2 (SARS-CoV-2) contains a conserved macrodomain enzyme (Mac1) that is critical for pathogenesis and lethality. While small-molecule inhibitors of Mac1 have great therapeutic potential, at the outset of the COVID-19 pandemic, there were no well-validated inhibitors for this protein nor, indeed, the macrodomain enzyme family, making this target a pharmacological orphan. Here, we report the structure-based discovery and development of several different chemical scaffolds exhibiting low- to sub-micromolar affinity for Mac1 through iterations of computer-aided design, structural characterization by ultra-high-resolution protein crystallography, and binding evaluation. Potent scaffolds were designed with in silico fragment linkage and by ultra-large library docking of over 450 million molecules. Both techniques leverage the computational exploration of tangible chemical space and are applicable to other pharmacological orphans. Overall, 160 ligands in 119 different scaffolds were discovered, and 153 Mac1-ligand complex crystal structures were determined, typically to 1 Å resolution or better. Our analyses discovered selective and cell-permeable molecules, unexpected ligand-mediated conformational changes within the active site, and key inhibitor motifs that will template future drug development against Mac1.
Calibration of angle standards
Authors: Gastaldi B , Vieira L , Yshikawa F Huerta , Faust B , Eves B
Published: January 2023

Main text

Optical polygons and angle gauge blocks are the primary artifacts for disseminating the unit of angle to industry. The Consulative Committee for Length (CCL) has designated the calibration of such angle artifacts as a key comparison topic area in order to ensure world-wide traceability and equivalence of angle measurements at the lowest measurement uncertainties. This report describes the key comparison in the topic area of angle metrology for the SIM region. An optical polygon and six angle gauge blocks were measured by five national metrology institutes (NMI). The comparison was successful and the results of the participants are reported. One NMI reported values that were initially inconsistent with the key comparison reference value for the optical polygon.

To reach the main text of this paper, click on Final Report. Note that this text is that which appears in Appendix B of the BIPM key comparison database https://www.bipm.org/kcdb/.

The final report has been peer-reviewed and approved for publication by the CCL, according to the provisions of the CIPM Mutual Recognition Arrangement (CIPM MRA).
Local recovery of a piecewise constant anisotropic conductivity in EIT on domains with exposed corners
Authors: de Hoop Maarten V , Furuya Takashi , Lin Ching-Lung , Nakamura Gen , Vashisth Manmohan
Published: January 2023

We study the local recovery of an unknown piecewise constant anisotropic conductivity in electric impedance tomography on certain bounded Lipschitz domains Ω in

R

2

with corners. The measurement is conducted on a connected open subset of the boundary

∂
Ω

of Ω containing corners and is given as a localized Neumann-to-Dirichlet map. The above unknown conductivity is defined via a decomposition of Ω into polygonal cells. Specifically, we consider a parallelogram-based decomposition and a trapezoid-based decomposition. We assume that the decomposition is known, but the conductivity on each cell is unknown. We prove that the local recovery is almost surely true near a known piecewise constant anisotropic conductivity γ
0. We do so by proving that the injectivity of the Fréchet derivative

F

′

(

γ
0

)

of the forward map F, say, at γ
0 is almost surely true. The proof presented, here, involves defining different classes of decompositions for γ
0 and a perturbation or contrast H in a proper way so that we can find in the interior of a cell for γ
0 exposed single or double corners of a cell of suppH for the former decomposition and latter decomposition, respectively. Then, by adapting the usual proof near such corners, we establish the aforementioned injectivity.
Comparison of a hybrid model and experimental measurements for a dielectric-coated coaxial ECR thruster
Authors: Sánchez-Villar Álvaro , Boni Federico , Désangles Victor , Jarrige Julien , Packan Denis , Ahedo Eduardo , Merino Mario
Published: January 2023

Electrostatic probe and thrust balance measurements of a coaxial electron-cyclotron-resonance plasma thruster with magnetic nozzle are compared against numerical simulations of the device that solve self-consistently the plasma transport problem with a hybrid particle-in-cell/fluid approach and the microwave electromagnetic fields using mixed finite elements. A simple phenomenological anomalous transport model similar to those used in Hall thruster modeling is applied. Reasonable average relative errors are reported on the ion current density (8.7%) and plasma density (12.8%) profiles along the plume. Good agreement is found in terms of relative errors on thruster performance parameters as the 90%-current divergence angle (0%–3%), utilization efficiency (3%–10%), peak ion energy (9%–15%), and energy efficiency (2%–17%). The comparison suggests that enhanced cross-field diffusion is present in the plasma. Differences in the experimental and numerical behavior of electron temperature point to the areas of the model that could be improved. These include the electron heat flux closure relation, which must correctly account for the axial electron cooling observed.
Non-Gaussian displacement distributions in models of heterogeneous active particle dynamics
Authors: Lemaitre Elisabeth , Sokolov Igor M , Metzler Ralf , Chechkin Aleksei V
Published: January 2023

We study the effect of randomly distributed diffusivities and speeds in two models for active particle dynamics with active and passive fluctuations. We demonstrate how non-Gaussian displacement distributions emerge in these models in the long time limit, including Cauchy-type and exponential (Laplace) shapes. Notably the asymptotic behaviours of such Cauchy shapes are universal and do not depend on the precise diffusivity distributions. Moreover, the resulting shapes of the displacement distributions with distributed diffusivities for the active models considered here are in striking contrast to passive diffusion models. For the active motion models our discussion points out the differences between active- and passive-noise. Specifically, we demonstrate that the case with active-noise is in nice agreement with measured data for the displacement distribution of social amoeba.
Refractive index sensing performance demonstration of reflective microfiber long taper elaborated by silver and silicon nanoparticles using seawater samples
Authors: Dang Hongtao , Wang Jianfeng , Wang Dewen , Li Jin
Published: January 2023

A refractive index fiber probe has been proposed based on a long-tapered microfiber, which was obtained from a long single-mode microfiber by the oxyhydrogen-flame-scanning and stretching method using a multifunctional fiber tapering machine. This microfiber probe was used to detect the refractive index of seawater samples with different concentrations by demodulating the intensity of reflected light. The refractive index sensing performance of the long-tapered microfibers elaborated by the low refractive index UV glue distributing silver nanoparticles and silicon nanoparticles were experimentally demonstrated, compared and analyzed. More stable spectra and sensing performance was obtained for the silicon nanoparticles compared to that of silver nanoparticles. Although a high average refractive index sensitivity of 13.047 dBm R−1IU−1 was obtained for the long-tapered microfiber coated by two layers of silver nanoparticle UV films. However, the quality of the corresponding spectra was severely damaged, and the amplitude of light intensity at different wavelengths varied greatly. These problems can be well avoided for the silicon nanoparticle-decorated microfiber tapers, where the overall monotonic variation of the interference spectral intensity will greatly simplify the signal demodulation process and improve the reliability of the measurement results.
Constraining disformal couplings with Redshift Space Distortion
Authors: Dusoye Avishek , de la Cruz-Dombriz Álvaro , Dunsby Peter , Nunes Nelson J.
Published: January 2023

We study a quintessence model for which the scalar field is disformally coupled to dark matter. The background mimics the ΛCDM cosmological evolution and the quintessence potential is not specified. A disformal effect due to the quintessential mass is seen in the growth rate of the cosmological structure on large scales. The disformal parameter renders no appreciable effect on the evolution of the total matter perturbation. An analysis of the conformal parameter and quintessential mass is investigated using the Redshift Space Distortion data to find the best-fit values that might explain the well-known σ
8 tension.