bluuebunny/crossref_metadata_2025_split huggingface dataset:
Noncovalent Interactions in Crowded Benzene Systems: How Much Strain Is Too Much? Attractions Overcome Repulsions!
Authors: Verevkin Sergey P. , Samarov Artemiy A. , Zherikova Kseniya V. 
Published: February 2023

AbstractIn molecular design, large alkyl groups are used to introduce bulk and steric crowding of the catalytic center to improve catalytic efficiency and selectivity. The bulky groups are highly polarizable, increasing their ability to participate in stabilizing noncovalent interactions. The rationalization of noncovalent interaction trends is of both fundamental and practical interest as it provides new design concepts for catalysis and synthesis. Highly congested molecules always present challenges to chemists. Crowded benzene systems are an important class of compounds with well-established thermodynamic properties. The latter were used in this work to develop tools to quantify the degree of stabilization or destabilization in benzene systems crowded with bulky isopropyl and tert-butyl substituents. The basic idea was to quantify the delicate balance between repulsive and attractive interactions inherent in crowded benzene systems. The ensemble of experimental thermodynamic data and DFT-D3 calculations enabled the development of quantitative scales of the dispersion contributions and their understanding at the molecular level.
Self-assembled Patterns Formed in Evaporating Droplets to Analyze Bi-component Homeopathic Preparations in the Low Dilution Range
Authors: Kokornaczyk Maria Olga , Würtenberger Sandra , Baumgartner Stephan 
Published: February 2023

AbstractBackground Homeopathic complex remedies, composed of several homeopathic medicines in the low potency range, are frequently used in the treatment of a number of common disorders. At the same time, they represent an almost unexplored area of research. Are complex remedies just additive mixtures of the components, or are there interactions between the latter leading to new properties of the complex?Methods In the present study, we analyzed as an example the simple bi-component complex, Luffa 4x – Mercurius bijodatus 9x, by means of patterns from evaporated droplets and tested what influences the complex's single compounds have upon the patterns and if there are any interactions. For this purpose, we compared in a series of five experiments patterns from evaporated droplets of the complex, Luffa 4x – Mercurius bijodatus 9x, and three comparison samples in which one or both of the complex's compounds were replaced by potentized solute. The patterns were photographed and evaluated for their gray-level distribution and texture using the software ImageJ. The experimental set-up's stability was tested by means of systematic control experiments.Results We found that Mercurius bijodatus 9x significantly influenced the patterns of Luffa 4x, increasing their homogeneity; at the same time, the patterns of Mercurius bijodatus 9x combined with solvent were more heterogeneous than those obtained from a control consisting of two pure solvents.Conclusion In this phenomenological assay, the complex Luffa 4x – Mercurius bijodatus 9x does not correspond to a simple addition of the components. The exact nature of the underlying interaction needs to be elucidated in further investigations.
Standing Surgical Management of Splint Bone Fractures in 13 Horses: A Comparison to Management Under General Anaesthesia
Authors: Auffret Vincent , Bonilla Alvaro G. 
Published: February 2023

AbstractObjective The aim of this article was to describe the technique and outcomes of standing surgical management of splint bone fractures and to compare outcome variables and hospitalization cost to a group with similar fractures treated under general anaesthesia.Study Design It is a single-institution retrospective study. Surgical technique, surgical time, hospitalization cost and complications were retrieved from the medical records of horses treated surgically for splint bone fractures (2008–2020). Owner telephone follow-up provided data about athletic outcome, client satisfaction and cosmetic appearance.Results Forty-nine horses (13 standing, 36 under general anaesthesia) with 57 fractures (18 contaminated and 39 non-contaminated) were included. Seven fractures were in the proximal third (4 standing, 3 under general anaesthesia), 18 in the middle third (5 standing, 13 under general anaesthesia) and 30 were distal (4 standing, 26 under general anaesthesia). No significant difference between groups in surgical time was found (p= 0.8). Average total cost was 522 CAN$ lower for the standing group for non-contaminated fractures (p= 0.02). Three horses of the general anaesthesia group demonstrated postoperative colic signs and one case of the standing group was re-operated due to sequestration. Based on follow-up information (range: 3.8-151.2 months), no significant differences in cosmetic and athletic outcomes were found between groups.Conclusion Surgical management of splint bone fractures in the standing horse is a valuable alternative for horses selected based on behaviour. When compared to general anaesthesia, standing management of splint bone fractures did not alter the surgical time or outcome variables and avoided general anaesthesia-associated risks.
Social trust, social capital, and subjective well-being of rural residents: micro-empirical evidence based on the Chinese General Social Survey (CGSS)
Authors: Xu Haiping , Zhang Chuqiao , Huang Yawen 
Published: February 2023

AbstractDespite a recent line of research highlighting trust as an important determinant of residents’ happiness in Western countries, empirical evidence regarding the strength of these linkages in the developing world needs to be more comprehensive and conclusive. This paper contributes to this literature by performing a deeper examination into the trust-based explanation of happiness and, particularly, exploring the mediating role of social capital in rural China, where rapid economic growth coexists with gradual and fundamental social changes. Using data from the nationally representative cross-sectional Chinese General Social Survey (CGSS) in 2012, 2013, and 2015, we indicate that trust positively affects the happiness of rural residents and social capital. Our findings support the role of social capital in mediating happiness prediction. Furthermore, additional tests suggest heterogeneous social capital for different ages and degrees of regional market competition. Specifically, the mediating effect of social capital on rural residents over 30 years old (inclusive) and living in high-market competition areas is significant. These findings provide a valuable direction for the government that producing an environment that enhances social networks and facilitates the exchange of social support holds promise for improving the life satisfaction of the rural Chinese population. Trust can significantly improve rural residents’ happiness through increasing social capital. The government should effectively manage the rural social trust crisis and help rural residents build social capital in multiple ways, improving the life satisfaction of rural residents.
Realization of an advanced super-mirror solid-state neutron polarizer for the instrument PF1B at the Institut Laue–Langevin
Authors: Petoukhov A. K. , Nesvizhevsky V. V. , Bigault T. , Courtois P. , Devishvili A. , Jullien D. , Soldner T. 
Published: February 2023

In this last of a series of three papers on the development of an advanced solid-state neutron polarizer, we present the final construction of the polarizer and the results of its commissioning. The polarizer uses spin-selective reflection of neutrons by interfaces coated with polarizing super-mirrors. The polarizer is built entirely in-house for the PF1B cold neutron beam facility at the Institut Max von Laue–Paul Langevin (ILL). It has been installed in the PF1B casemate and tested under real conditions. The average transmission for the “good” spin component is measured to be &gt;30%. The polarization averaged over the capture spectrum reaches a record value of Pn ≈ 0.997 for the full angular divergence in the neutron beam, delivered by the H113 neutron guide, and the full wavelength band λ of 0.3–2.0 nm. This unprecedented performance is due to a series of innovations in the design and fabrication in the following domains: choice of the substrate material, super-mirror and anti-reflecting multilayer coatings, magnetizing field, and assembling process. The polarizer is used for user experiments at PF1B since the last reactor cycle in 2020.
Electron pulse-dilation diagnostic instruments
Authors: Trosseille C. , Nagel S. R. , Hilsabeck T. J. 
Published: February 2023

During the past decade, a number of diagnostic instruments have been developed that utilize electron pulse-dilation to achieve temporal resolution in the 5–30 ps range. These development efforts were motivated by the need for advanced diagnostics for high-energy density physics experiments around the world. The new instruments include single- and multi-frame gated imagers and non-imaging detectors that record continuous data streams. Electron pulse-dilation provides high-speed detection capability by converting incoming signals into a free electron cloud and manipulating the electron signal with electric and magnetic fields. Here, we discuss design details and applications of these instruments along with issues and challenges associated with employing the electron pulse-dilation technique. Additionally, methods to characterize instrument performance and improve tolerance to gamma and neutron background radiation are discussed.
Integrating test device and method for creep failure and ultrasonic response of methane hydrate-bearing sediments
Authors: Hu Qiaobo , Li Yanlong , Sun Xiaofeng , Chen Mingtao , Bu Qingtao , Gong Bin 
Published: February 2023

Clarifying the creep behaviors of hydrate-bearing sediment (HBS) under long-term loading is crucial for evaluating reservoir stability during hydrate exploitation. Figuring out a way of characterizing deformation behaviors and their geophysical responses to HBS is the basis for modeling creep behaviors. In this study, we propose a novel device to test time-dependent deformation and the ultrasonic response of HBS under high-pressure and low-temperature. The experimental device consists of a high-pressure chamber, an axial-load control system, a confining pressure system, a pore pressure system, a back-pressure system, and a data collection system. This testing assembly allows temperature regulation and independent control of four pressures, e.g., confining pressure, pore pressure, back pressure, and axial loading. Columned artificial HBS samples, with a diameter of 39 mm and a height of 120 mm, can be synthesized in this device. Afterward, in situ creep experiments can be achieved by applying stable confining pressure and axial load, together with geophysical signals acquisition. During loading, the stress–strain relationships and ultrasonic data can be obtained simultaneously. Through analyzing the stress–strain relationship and ultrasonic data, the macroscopical failure and microcosmical creep deformation law of the samples can be figured out. Preliminary experiments verified the applicability of the device. The method provides some significance for field observation of reservoir failure via geophysical techniques during hydrate exploitation.
Swearing as a Leadership Tool
Authors: Wilson Nick , Wedlock Joshua 
Published: February 2023

Abstract
Although swearing is often perceived as intrinsically offensive language, it is how swearing use is indexed
against a person’s understanding of local social norms that constructs swearing as offensive. This paper presents an analysis of
swearing within a social context where high frequency swearing is a norm: a male rugby team in New Zealand. Drawing upon a dataset
collected from ethnographically collected authentic interactions, an analysis of the frequency of swear words and a comparison
with other English corpora is presented, followed by an interactional sociolinguistic analysis of how swearing is used in
interactions. The aim of the paper is to demonstrate not only how swearing can be used to engender solidarity, but that a range of
socio-pragmatic functions of swearing such as intensifying and indexing a vernacular identity, can be used in performing
leadership.
A ferroelectric memristor with a capacitor-like structure for neuromorphic computing
Authors: Xie Donggang , Sun Qinchao , Geng Qianyi , Su Jie , Li Qiang , Ni Hao 
Published: February 2023

Abstract
This paper presents a ferroelectric memristor-based synaptic device with a capacitor-like structure and nonvolatile multilevel conductance. Conductance modulation can be achieved by manipulating the barrier height through polarization inversion and the mimicking of the important synaptic functions, such as long-term plasticity and spike-timing-dependent plasticity, have been implemented. By extracting device parameters, a simulated artificial neural network is constructed for image recognition, and it can achieve 91.2% recognition accuracy for Modified National Institute of Standards and Technology images. These results show the potential of this device in building brain-like computing systems and further enrich the research of ferroelectric materials in realizing artificial synapses.
Concept of the generalized reduced-order particle-in-cell scheme and verification in an axial-azimuthal Hall thruster configuration
Authors: Reza Maryam , Faraji Farbod , Knoll Aaron 
Published: February 2023

Abstract
The reduced-order particle-in-cell (PIC) scheme is a novel modeling approach that enables computationally efficient electrostatic kinetic simulations of plasma. In our previous publications, we demonstrated that a proof-of-concept implementation of this novel PIC scheme resolves the multi-dimensional plasma processes and their interactions in a Hall thruster in a manner close to traditional electrostatic PIC codes. In this work, we extend our efforts on this topic and present a mathematically mature formulation for the dimensionality reduction of Poisson’s equation in the Vlasov–Poisson system, which enables the generalized reduced-order ‘quasi-multi-dimensional’ PIC scheme. The applicability of the dimensionality-reduction approach to solve general 2D Poisson problems is numerically verified. Next, we present several reduced-order quasi-2D (Q2D) simulations of a well-defined axial-azimuthal simulation case from the literature using approximation orders of the 2D problem whose computational costs are 2%–15% of a full-2D simulation. It is shown that these reduced-order simulations allow us to recover the same characteristics, behaviors and effects reported in the literature regarding the azimuthal instabilities in Hall thrusters. Moreover, in terms of the time-averaged plasma properties, it was found that, when increasing the approximation order, the error associated with the Q2D simulations’ predictions decreases from 15% to 4% for the electric field and from 20% to 2% for the ion number density. We have additionally discussed a series of sensitivity analysis results, including the influence of the initial number of macroparticles per cell on the predictions of the Q2D simulations. According to the detailed results and analyses presented, we conclude that the generalized reduced-order PIC scheme serves as a rigorous foundation for eventual cost-effective and comprehensive three-dimensional kinetic studies of the physics in Hall thrusters and similar electrostatic plasma technologies.
Photoinduced spin-polarized transport and controllable valley-triplet pairing states in a silicene-superconductor junction
Authors: Huang Chuan-Shuai 
Published: February 2023

Abstract
We theoretically investigate the spin-polarized subgap transport and valley-triplet pairing states in a silicene-superconductor junction. By using the nonequilibrium Green’s function, it is found that the subgap conductance is strongly affected by the spin polarization induced by an off-resonant circularly polarized light. More importantly, the presence of valley-mixing scattering at the interface could result in a valley-triplet Andreev reflection (AR) process, where the incident electrons and reflected holes come from the same valley. We also find that the amplitude of the valley-triplet AR is controllable by tuning the intensity of the light, the position of the Fermi level, and even the interface coupling strength. Particularly, the fully valley-polarized conductance spectrum shows distinctive behaviors, which is beneficial for us to verify and detect the possible valley-triplet pairing states as well as the spin/valley polarizations in silicene. Our results may pave the way for the applications of silicene in spin-valleytronics.
Local structural investigation of non-crystalline materials at high pressure: the case of GeO2 glass
Authors: Hong Xinguo , Newville Matt , Ding Yang 
Published: February 2023

Abstract
Local structures play a crucial role in the structural polyamorphism and novel electronic properties of amorphous materials, but their accurate measurement at high pressure remains a formidable challenge. In this article, we use the local structure of network-forming GeO2 glass as an example, to present our recent approaches and advances in high-energy x-ray diffraction, high-pressure x-ray absorption fine structure, and ab initio first-principles density functional theory calculations and simulations. Although GeO2 glass is one of the best studied materials in the field of high pressure research due to its importance in glass theory and geophysical significance, there are still some long-standing puzzles, such as the existence of appreciable distinct fivefold [5]Ge coordination at low pressure and the sixfold-plus [6+]Ge coordination at ultrahigh pressure. Our work sheds light on the origin of pressure-induced polyamorphism of GeO2 glass, and the [5]Ge polyhedral units may be the dominant species in the densification mechanism of network-forming glasses from tetrahedral to octahedral amorphous structures.
An ab initio study of catechol sensing in pristine and transition metal decorated γ-graphyne
Authors: Dewangan Juhee , Mahamiya Vikram , Shukla Alok , Chakraborty Brahmananda 
Published: February 2023

Abstract
Catechol is a toxic biomolecule due to its low degradability to the ecosystem and unpredictable impact on human health. In this work, we have investigated the catechol sensing properties of pristine and transition metal (Ag, Au, Pd, and Ti) decorated γ-graphyne (GY) systems by employing the density functional theory and first-principles molecular dynamics approach. Simulation results revealed that Pd and Ti atom is more suitable than Ag and Au atom for the decoration of the GY structure with a large charge transfer of 0.29e and 1.54e from valence d-orbitals of the Pd/Ti atom to the carbon-2p orbitals of GY. The GY + Ti system offers excellent electrochemical sensing towards catechol with charge donation of 0.14e from catechol O-p orbitals to Ti-d orbitals, while the catechol molecule is physisorbed to pristine GY with only 0.04e of charge transfer. There exists an energy barrier of 5.19 eV for the diffusion of the Ti atom, which prevents the system from metal–metal clustering. To verify the thermal stability of the sensing material, we have conducted the molecular dynamics simulations at 300 K. We have reported feasible recovery times of 2.05 × 10−5 s and 4.7 × 102 s for sensing substrate GY + Pd and GY + Ti, respectively, at 500 K of UV light.
The rotational rocket
Authors: Mungan Carl E 
Published: February 2023

Abstract
A rotational rocket is the angular analogue of the familiar translational rocket. It spins about an axis fixed in position, as a result of the ejection of matter (typically in the form of one or more fluid jets) tangentially from its rim. Examples include a rotary lawn sprinkler, Hero’s engine, or a carousel off of which balls are thrown. The thrust equation is developed starting from Newton’s second law for rotations. Special cases that could be used in class or homework in an introductory mechanics course are discussed.
The role of laser chirp in relativistic electron acceleration using multi-electron gas targets
Authors: Grigoriadis A , Andrianaki G , Tatarakis M , Benis E P , Papadogiannis N A 
Published: February 2023

Abstract
The role of multi-10 TW chirped laser pulses interacting with N2 gas jet targets, as a test case for multi-electron targets, is experimentally examined. Complementary measurements using He gas jet targets, which are fully ionized well before the laser pulse peak, are also presented for comparison with the measurements for the multi-electron N2 targets. It is found that for both gases positively chirped laser pulses accelerate electrons more efficiently compared to the Fourier transform-limited and negatively chirped pulses. Furthermore, multi-electron targets offer additional electron injection mechanisms for efficient electron acceleration as a function of the chirp, due to the dynamic ionization of inner-shell electrons near the peak of the laser pulse. Finally, we show that the background plasma density value plays a critical role in the efficient acceleration of positively chirped pulses as well as in the tuning of the positive chirp value for maximizing the electron energy. We clearly observe that larger plasma density values require higher positive chirp values for efficient electron acceleration.
A novel multigranulation roughness of bipolar fuzzy set over dual universes and its applications
Authors: Mubarak Asad , Shabir Muhammad , Mahmood Waqas 
Published: February 2023

Abstract
In the world, multigranulation rough sets and bipolar fuzzy sets are the practical tools for dealing with the uncertainty, vagueness, and imperfection that frequently arise in decision making problems. The goal of multigranulation rough sets is to characterize uncertain situations in various granularity spaces, whereas bipolar fuzzy sets (BFSs) have the capacity to handle uncertainty as well as informational bipolarity in a variety of contexts. This article examines the optimistic multigranulation rough approximation of a BFS in the light of multi-soft binary relations across two different universes. We investigate some algebraic properties of our newly constructed optimistic multigranulation rough set scheme. Measures of accuracy and roughness are also covered in this paper. Finally, two decision algorithms are designed with respect to aftersets and foresets that are applied to a decision making problem in disease diagnoses, and the applicability of the method is illustrated by a numerical example.