bluuebunny/crossref_metadata_2025 huggingface dataset:
Promotion of cooperation in a structured population with environmental feedbacks
Authors: Lyu Ding , Liu Hanxiao , Deng Chuang , Wang Xiaofan
Published: December 2024

Cooperation is a representative altruistic behavior in which individuals contribute public goods to benefit their neighborhoods and even larger communities in social networks. The defective behavior is more likely to bring higher payoffs than the cooperative behavior, which makes the cooperative behavior hard to maintain and sustain. Many mechanisms were proposed to promote cooperation within a social dilemma, in which some recent studies introduced the impact of dynamically changing environments on players’ payoffs and strategies in social-ecological systems, and evolutionary-ecological systems. However, degree heterogeneity, an important structural property of many real-world complex networks such as social networks, academic collaboration networks, and communication networks, is rarely explored and studied in such eco-evolutionary games. In this research, we propose a Public Goods Game model on social networks with environmental feedback and analyze how the environmental factor and network structure affect the evolution of cooperation. It is found that as the initial environmental factors and the cooperation-enhancement defection-degradation ratio increase, the steady cooperation level of the social network significantly increases, and the dynamic environment will eventually evolve into a high-return environment; On the other hand, even if the initial environmental benefit coefficient is high, when the cooperation-enhancement defection-degradation ratio is less than a threshold, the dynamic environment will gradually degrade into a low-return environment. The steady cooperation level of the social network first gradually increases as the network structure becomes more heterogeneous, but it will decrease once the heterogeneity of the social network exceeds a certain threshold.
Self-adaptive weighted physics-informed neural networks for inferring bubble motion in two-phase flow
Authors: Dai Min , Tao Jiping , Zhao Yi , Xing Fei
Published: December 2024

Modeling complex fluid flow using machine learning is increasingly recognized as a valuable approach for revealing multiphase fluid phenomena. Bubble dynamics represent a classical two-phase flow problem that plays a crucial role in various engineering domains. In this paper, physics-informed neural networks (PINNs) are applied to facilitate incompressible two-phase bubble motion modeling by integrating governing equations and interface evolution equations. The loss function of PINNs consists of multiple loss terms, including initial and boundary conditions constraints, partial differential equations residuals, and volume fraction constraints. The performance of PINNs is influenced by the competing effects of these loss terms. Therefore, we introduce a heuristic adaptive weights approach to automatically adjust loss weights for each training point, avoiding manual tuning and improving the accuracy of PINNs. We investigate typical bubble motion cases, specifically focusing on bubble rising and breakup, to showcase the capabilities of the proposed method. We explore the impact of weights and present the results in comparison to the baselines. Through the bubble breakup case, we illustrate that our model shows superior performance even with more complex scenarios. Then we further discuss the generalization and robustness of our model, showing their indispensability over traditional solvers in gas–liquid two-phase systems. Specifically, we accelerate computation speed in transfer learning without the need to modify the original model. We also show that our method effectively solves ill-posed problems, such as those without initial data or with incomplete or noisy boundary conditions.
Behavior of sodium dodecyl sulfate at the gas–liquid interface based on the coupling of temperature and calcium chloride concentration
Authors: Yang Yurun , Guo Zhiguo , Lu Yi , Zhou Lingjian , Zheng Biaohua , Ye Wenhao
Published: December 2024

Coal spontaneous combustion disasters frequently occur during deep coal mining, resulting in significant losses. Water-based foam has been shown to effectively inhibit coal spontaneous combustion disasters. The temperature of coal seam depths is a key factor influencing the stability and water retention capacity of foam. Inorganic salts, as a foam additive, have a notable impact on the structure of the bubble film. Here, the influence of temperature and calcium chloride concentration on the gas–liquid interface of sodium dodecyl sulfate (SDS) was further investigated using molecular dynamic simulations. The results indicate that calcium chloride strengthens the interfacial adsorption barrier and decreases the diffusion coefficient of water, which improves foam stability. Meanwhile, Ca2+ is concentrated in the outer Helmholtz plane of the Stern layer, while Na+ is concentrated in the inner Helmholtz plane. The preferential coordination of Ca2+ further induces the expulsion of Na+. The hydration environment of Na+ is weakened by the electrostatic shielding effect of the Ca2+ layer. Furthermore, temperature and CaCl2 concentration exhibit a synergistic effect, influencing the adsorption structure of SDS at the interface. Temperature and CaCl2 cause the SDS head group to orient more perpendicularly to the interface. Therefore, the two-dimensional distribution of SDS in the XY plane exhibits regions of aggregation, diffusion, and vacant sites. With changes in temperature and Ca2+ concentration, the proportion and number density of vacant sites gradually stabilize. SDS forms highly ordered aggregates at the air–liquid interface, which in turn enhances the stability of the foam film.
Experimental study of flow dynamics in a dual-stage annular swirling jet
Authors: Zhou Yuyang , Rinoshika Akira
Published: December 2024

In this study, three-dimensional flow structures at a Reynolds number of 16 000 are measured by stereoscopic particle image velocimetry to reveal the dynamic structures of a dual-stage co-rotating annular swirling jet with a blunt separating wall. The swirler number of the outer swirling jet is fixed at around 0.5 and that of the inner swirling jet is varied from 0 to 0.7. Spectral proper orthogonal decomposition is used for extracting organized structures and the topological evolution from a spatiotemporal flow field. The evolution of mean-flow topography is initially depicted as the flow transition from the center body wake to the presence of a central recirculation zone, with an increase in the inner swirl number varying from 0 to 0.7. Two precessing vortex cores (PVCs) with different frequencies are observed in the presence of a central recirculation zone, and the temporal independence of the two PVCs is identified. A transition region exists between the two PVCs because of the different dominant axial regions of the two PVCs, which is located between the central recirculation induced by inner swirling and that by the merged swirling flow. The conservation of circulation for both PVCs was confirmed in the transition region, and the two PVCs exhibited independent single-helical modes. Furthermore, the main frequencies of the two PVCs are proportional to the inner swirl number; however, they are higher than those of the corresponding single swirling jet. As predicted by the Landau equation, both PVCs had the same critical swirl number, suggesting that the two structures occurred simultaneously.
Advancing hyperspectral imaging and machine learning tools toward clinical adoption in tissue diagnostics: A comprehensive review
Authors: Lai Chun-Liang , Karmakar Riya , Mukundan Arvind , Natarajan Ragul Kumar , Lu Song-Cun , Wang Cheng-Yi , Wang Hsiang-Chen
Published: December 2024

Hyperspectral imaging (HSI) has become an evident transformative apparatus in medical diagnostics. The review aims to appraise the present advancement and challenges in HSI for medical applications. It features a variety of medical applications namely diagnosing diabetic retinopathy, neurodegenerative diseases like Parkinson's and Alzheimer's, which illustrates its effectiveness in early diagnosis, early caries detection in periodontal disease, and dermatology by detecting skin cancer. Regardless of these advances, the challenges exist within every aspect that limits its broader clinical adoption. It has various constraints including difficulties with technology related to the complexity of the HSI system and needing specialist training, which may act as a drawback to its clinical settings. This article pertains to potential challenges expressed in medical applications and probable solutions to overcome these constraints. Successful companies that perform advanced solutions with HSI in terms of medical applications are being emphasized in this study to signal the high level of interest in medical diagnosis for systems to incorporate machine learning ML and artificial intelligence AI to foster precision diagnosis and standardized clinical workflow. This advancement signifies progressive possibilities of HSI in real-time clinical assessments. In conclusion despite HSI has been presented as a significant advanced medical imaging tool, addressing its limitations and probable solutions is for broader clinical adoption.
Transient flow characteristics of single and twin circular impinging jets using particle image velocimetry and proper orthogonal decomposition
Authors: Chen Jiaqi , Wang Mengcheng , Wang Xikun
Published: December 2024

This study experimentally investigated the transient flow characteristics of single and twin parallel circular impinging jets using Particle Image Velocimetry (PIV) and Proper Orthogonal Decomposition (POD). High spatiotemporal resolution data were collected to analyze and visualize the distribution and interactions of multi-scale vortex structures. The experimental data were evaluated for PIV uncertainty and statistical convergence. The flow field distribution of the fountain that may occur in the twin impinging jets was also discussed. The results revealed that, for the oblique single jet, high-energy large-scale structures primarily concentrate in downhill regions and gradually decompose into smaller-scale structures. In the combination of twin jets, vortices in the shear layers merge in an alternating pattern. The frequencies of the inner and outer shear layers are sensitive to jet spacing with different characteristic interaction patterns repeatedly observed based on varying spacings. Three distinct cases are defined based on the interaction of the twin jets with the impingement plate. Additionally, three distinct flow field structures of fountain are defined to facilitate, indicating the degree of combination as well. The velocity profiles of the fountain are similar and adhere to a Gaussian distribution. Furthermore, a semi-empirical equation was developed to describe the centerline velocity of the fountain.
New permeability model considering multiscale migration mechanism of deep coalbed methane and its application
Authors: Yi Zhibin , Sheng Guanglong , Sun Junyi , Liu Yuyang , Shi Jialin , Zhang Mingyu
Published: December 2024

Deep coalbed methane (CBM) flow exhibits various transportation mechanisms within the multiscale pore structures of reservoirs, including continuous flow, Knudsen diffusion, and surface diffusion. Current research predominantly emphasizes the effects of individual or partial flow mechanisms and single-factor influences on the multiscale migration of CBM. We proposed a new apparent permeability model that integrates multiple flow mechanisms to enhance our understanding of the factors governing CBM flow in complex fractured networks. This model accounted for stress sensitivity, adsorbed gas desorption, and matrix shrinkage. By assigning appropriate weights to different flow mechanisms, the model yielded a more accurate representation of the deep CBM apparent permeability, avoiding the overestimation resulting from the linear superposition of diverse migration mechanisms. Our findings indicated that the apparent permeability was positively correlated with compressibility and negatively correlated with the tortuosity and Poisson's ratio. In the presence of the adsorbed gas, the apparent permeability of organic matter showed heightened sensitivity to formation pressure, rock compressibility, and tortuosity. However, the impacts of these factors became less pronounced when the pressure differential was small. The proposed model was applied to the flow simulations for a multi-fractured horizontal well within a deep coal reservoir characterized by a complex fracture network. The simulation results agreed well with the production data. We found that continuous flow was the dominant contributor to the apparent permeability of organic and inorganic matter within the coal rock, followed by Knudsen diffusion and surface diffusion. This study provided insights into the evolution of apparent permeability of CBM during development and offered valuable guidance for the analysis of CBM production dynamics, productivity forecasting, and production system design.
Vortex structure and control in a lid-driven cavity with magnetic field
Authors: Verma Prakash , Das Manab Kumar
Published: December 2024

Ferrofluids are magnetic field-sensitive colloidal solutions of ultra-fine, single-domain superpara-magnetic nanoparticles of metallic materials. An external magnetic field can be used to regulate the magnetic nanoparticles in the ferrofluid, which permits the fluid to flow and distribute within the domain in a predetermined way. This study examines the ferrofluid flow properties in a lid-driven cavity exposed to an external magnetic field. We investigate the impact of different aspect ratios, Reynolds number, and magnetic field strength on generation of vortices and their behavior. We have simulated aspect ratios of 1, 0.5, and 2 in this investigation, using Reynolds number values of 100, 400, and 1000 and magnetic field strength of 0, 1, and 4 tesla. Our results show that the introduction of magnetic fields greatly modifies the behavior of vortex, affecting the flow stability, and vorticity patterns inside the cavity. These findings have ramifications for actuation mechanisms, drug delivery systems, and microfluidic devices. In particular, we find that the flow patterns in the cavity evolve from basic recirculation to more intricate vortex structures. The commencement of these transitions is largely dependent on the Reynolds numbers. Along the sidewalls, secondary vortices form at higher Reynolds numbers. Practical applications can benefit from the enhanced mixing provided by these sidewall vortices. Additionally, we talk about how ferrofluids might improve fluid control and manipulation in constrained geometries. The interaction of magnetism and fluid dynamics creates opportunities for new types of actuation mechanisms in which the ferrofluid flow can be steered and controlled by magnetic fields. Our research opens up new avenues for creative applications in microfluidics and other fields by providing insightful information on ferrofluid behavior.
Identification of viscoelastic properties with fluid inertia in a parallel plate with effective mechanical system analyses
Authors: Gao Xuesi , Hwang Wook Ryol
Published: December 2024

Measurement of viscoelastic properties in small amplitude oscillatory shear (SAOS) can be affected by fluid inertia, especially at high frequencies. In this study, we introduce an effective mechanical system approach to address the effects of fluid inertia on the viscoelastic measurement with a SAOS test, employing a parallel plate geometry. In the effective mechanical system approach, viscous, elastic, and inertial properties of a fluid system are modeled systematically by a rotational drag coefficient, a torsional spring constant, and a second moment of inertia, respectively. In this way, we established the analytic solution for the linear viscoelastic behavior of a fluid in the presence of fluid inertia. The shear modulus on the frequency, obtained by the effective mechanical system, reveals that fluid inertia only affects the storage modulus and not the loss modulus. We investigate the behavior of the storage modulus as a function of the gap size, the oscillation frequency, and the disk radius, demonstrating the dependence on the gap size and the frequency. Comparison was made for the shear modulus from the effective mechanical system with viscoelastic flow simulation, employing two viscoelastic (Oldroyd-B and Giesekus) fluid models to validate the accuracy of this approach. The maximum error was found less than 3.3% over the frequency range from 1 to 100 rad/s.
Interaction of a Taylor bubble with the liquid–liquid interface in a notched tube
Authors: Patel Saurabh , Kumar Rohit , Kumar Parmod
Published: December 2024

Injection of air into stratified liquids for improved mixing and for the removal of oil droplets from water is some well-established applications for augmentation of heat and mass transfer and purification of water. The present study investigates the dynamics of a Taylor bubble passing through the liquid–liquid interface in a vertical tube provided with rounded notch of different radii using the Eulerian approach-based volume of fluid method. The complete bypass of the Taylor bubble across the liquid–liquid interface and the notch is observed for dimensionless notch radius, r* = 0.0388, whereas the Taylor bubble has bypassed in the form of smaller volumes periodically pinched-off near the notch for higher notch radius. The drag coefficient has significantly increased during the bypass of the bubble across the liquid–liquid interface, its peak has an order of magnitude ≅102 for r* = 0.0388, and it is ≅ 103 for a larger notch radius. This increase in the drag coefficient is also manifested in terms of significant increase in the wall shear stress and capillary pressure drop across the notch. The increase in liquid viscosity ratio has resulted in a slight increase in pinched-off bubble volumes and their surface oscillations.
Electrophoretic velocity of ion-releasing colloidal particles
Authors: Asmolov Evgeny S. , Vasileva Victoria A. , Vinogradova Olga I.
Published: December 2024

By means of a matched asymptotic expansions approach the electrophoretic velocity and zeta potential of a catalytic particle that uniformly releases ions have been investigated. Attention is focused on large, compared to diffuse layer, particles characterized by the surface potential Φs and Damköhler number Da. The latter represents the ratio of the surface reaction rate to the diffusive transfer one. For vanishing Da, we recover the classical Smoluchowski formula for the electrophoretic velocity, which states that the zeta potential of the particle is equal to Φs and that the migration direction is determined by its sign. For small values of Da we show that the migration velocity is controlled mostly by Φs and affected by an ion release only slightly. However, even small Da can induce the electrophoresis of electro-neutral particles that would be immobile if inert. For larger Da the direction of migration and the sign of zeta potential become independent of Φs and are solely determined by the difference in diffusivity of released cations and anions. Still, the surface potential affects the magnitude of the particle velocity.
Migration dynamics of molten droplets impacting on vertical solid surfaces
Authors: Huang Jieguang , Wang Qian , Zhang Jingru , Qi Lehua , Luo Jun
Published: December 2024

Droplet impact onto solid surfaces is a widespread phenomenon in various engineering applications, including metal droplet ejection three-dimensional (3D) printing, an innovative metal additive manufacturing technique. Despite extensive research on droplet behavior upon impact, the physics of molten droplets impacting on vertical or inclined substrates, particularly in the scenarios of omnidirectional deposition and conformal fabrication, remains understudied. This paper introduces a novel phenomenon termed “migration,” distinct from slipping and rolling, observed when a droplet impacts vertical surfaces. The study investigates the migration behavior of molten droplets on vertical substrates with varying roughness and wettability, elucidating the underlying mechanisms and influences of these surface properties on droplet migration. Meanwhile, the coupled effects of fluid dynamics and thermodynamics on the migration of the droplet are numerically analyzed. It was found that the migration results from the asymmetric spreading and receding along the longitudinal direction caused by gravity or gravity-induced lateral inertial forces. The migration distance of the droplet increases with the substrate's roughness and non-wettability, which resulting from a reduction in interfacial binding force. The migration dynamics depend on the interaction between the surface flow and rapid solidification, allowing control over the final form and migration displacement of droplets. These findings enhance our understanding of the minor migration phenomena in droplets impacting on the vertical substrates along the gravity direction, contributing valuable insights for practitioners aiming to minimize forming defects and improve the quality of metal droplet ejection 3D printing.
Optimized impeller hydraulic performance of submersible drainage pumps: An experimental study
Authors: Rakibuzzaman Md , Kim Hyoung-Ho , Islam Md Didarul , Suh Sang-Ho , Zhou Ling , Roshid Md Harun Or
Published: December 2024

Optimizing the hydraulic efficiency of submersible drainage pumps (SDPs) is crucial for energy conservation and performance enhancement, especially in emergency applications. Therefore, this study aims to develop an energy-efficient SDP by designing an optimized impeller model using a numerical scheme and introducing a flow balance block (FBB) as an alternative to modifying the pump casing, thereby reducing internal space and improving performance. Experimental validation of the optimized impeller and FBB was conducted by comparing their performance with the original pump model. The results demonstrated that the optimized impeller increased efficiency by 3.35% at a flow rate of 0.195 m3/min, with an overall average efficiency improvement of 2.33%. Additionally, when the optimized impeller and FBB were combined, the pump's efficiency was further enhanced by 5%, and the flow rate increased by approximately 10%. The study also proposed that the tap bolt method is more effective for installing the FBB than the silicone attaching method. This research provides a comprehensive experimental approach to improving SDP efficiency and offers valuable insights for future pump optimization.
Experimental study on the piezoresistive effect of Mn–Cu alloy under high temperature and pressure and its application
Authors: Liu Meiqi , Ren Dongsheng
Published: December 2024

Large volume presses are used to simulate extreme environments within the Earth, enabling the investigation of the physical properties of subsurface materials. However, existing pressure calibration methods do not facilitate in situ observation of continuously varying chamber pressures. The Mn–Cu alloy, known for its piezoresistive properties, has not been extensively studied under ultra-high temperatures. This study investigates the piezoresistive effect of a Mn–Cu alloy wire across a temperature range of room temperature to 1000 °C and pressures up to 4.5 GPa. The results demonstrate that the Mn–Cu alloy wire can be a reliable manometer for in situ pressure monitoring in large volume presses, providing accurate absolute pressure measurements.
Introduction to Focus Issue: Chimera states: From theory and experiments to technology and living systems
Authors: Davidsen Jörn , Maistrenko Yuri , Showalter Kenneth
Published: December 2024

One of the pillars of modern science is the concept of symmetries. Spontaneously breaking such symmetries gives rise to non-trivial states, which can explain a variety of phenomena around us. Chimera states, characterized by the coexistence of localized synchronized and unsynchronized dynamics, are a novel example. This Focus Issue covers recent developments in the study of chimera states, from both theoretical and experimental points of view, including an emphasis on prospective practical realization for application in technology and living systems.
Hapalindole Q suppresses autophagosome−lysosome fusion by promoting YAP1 degradation via chaperone-mediated autophagy
Authors: Wu Yali , Wang Shaonan , Guo Zhicong , Sun Min , Xu Zhen , Du Yu , Zhu Fahui , Su Yajuan , Xu Zhou , Xu Yi , Gong Xu , Fang Ruan , Hu Jiaojiao , Peng Yan , Ding Zhaowen , Liu Cong , Li Ang , He Weiwei
Published: December 2024

Autophagy is a conserved catabolic process crucial for maintaining cellular homeostasis and has emerged as a promising therapeutic target for many diseases. Mechanistically novel small-molecule autophagy regulators are highly desirable from a pharmacological point of view. Here, we report the macroautophagy-inhibitory effect of hapalindole Q, a member of the structurally intriguing but biologically understudied hapalindole family of indole terpenoids. This compound promotes the noncanonical degradation of Yes-associated protein 1 (YAP1), the downstream effector of the Hippo signaling pathway, via chaperone-mediated autophagy, disrupting proper distribution of Rab7 and suppressing autophagosome−lysosome fusion in macroautophagy. Its binding to YAP1 is further confirmed by using biophysical techniques. A preliminary structure−activity relationship study reveals that the hapalindole Q scaffold, rather than the isothiocyanate group, is essential for YAP1 binding and degradation. This work not only identifies a macroautophagy inhibitor with a distinct mechanism of action but also provided a molecular scaffold for direct targeting of YAP1, which may benefit the development of therapeutics for both autophagy-related and Hippo−YAP-related diseases.
gwforge: a user-friendly package to generate gravitational-wave mock data
Authors: Chandra Koustav
Published: December 2024

Next-generation gravitational-wave detectors, with their improved sensitivity and wider frequency bandwidth, will be capable of observing almost every compact binary coalescence signal from epochs before the first stars began to form, increasing the number of detectable binaries to hundreds of thousands annually. This will enable us to observe compact objects through cosmic time, probe extreme matter phenomena, do precision cosmology, study gravity in strong field dynamical regimes and potentially allow observation of fundamental physics beyond the standard model. However, the richer data sets produced by these detectors will pose new computational, physical and astrophysical challenges, necessitating the development of novel algorithms and data analysis strategies. To aid in these efforts, this paper introduces gwforge, a user-friendly, lightweight Python package, to generate mock data for next-generation detectors. gwforge allows users to seamlessly simulate data while abstracting away technical complexities, enabling more efficient testing and development of analysis pipelines. Additionally, the package’s data generation process is optimized using high-throughput systems like HTCondor, significantly speeding up the simulation of large populations of gravitational-wave events. We demonstrate the package’s capabilities through data simulation examples and highlight a few potential applications: performance loss due to foreground noise, bright-siren cosmology and impact of waveform systematics on binary parameter estimation.
GEO 600 beam splitter thermal compensation system: new design and commissioning
Authors: Nadji Séverin , Wittel Holger , Mukund Nikhil , Lough James , Affeldt Christoph , Bergamin Fabio , Brinkmann Marc , Kringel Volker , Lück Harald , Weinert Michael , Danzmann Karsten
Published: December 2024

Gravitational waves (GW) have revolutionised the field of astronomy by providing scientists with a new way to observe the Universe and gain a better understanding of exotic objects like black holes. Several large-scale laser interferometric GW detectors have been constructed worldwide, with a focus on achieving the best possible sensitivity. However, in order for a detector to operate at its intended sensitivity, its optics must be free from imperfections such as thermal lensing effects. In the GEO 600 GW detector, the beam splitter experiences a significant thermal lensing effect due to the high power build-up in the power recycling cavity combined with a very small beam waist. This causes the fundamental mode to be converted into higher order modes, subsequently impacting the detector’s performance. To address this issue, the GEO 600 detector is equipped with a thermal compensation system (TCS) applied to the beam splitter. This involves projecting a spatially tunable heating pattern through an optical system onto the beam splitter. The main objective of the TCS is to counteract the thermal lens at the beam splitter and restore the detector to its ideal operating condition. This paper presents the new beam splitter TCS in GEO 600, its commissioning and its effect on strain sensitivity. It also outlines the planned upgrade to further enhance the performance of the TCS.
Surface plasmon resonance excitation and imaging in circular gratings: a study of non-polarized, radial and azimuthal polarization effects
Authors: Dawson Eoin , Novikova Alexandra , Bdour Yazan , Sabat Ribal Georges
Published: December 2024

This study explores the effects of various polarization states on surface plasmon resonance (SPR) in circular gratings, emphasizing their potential in sensing technologies. We present a mathematical modeling framework alongside experimental investigations involving the fabrication and characterization of circular gratings using linearly polarized, radially polarized, and non-polarized light. Our findings demonstrate stable SPR responses across multiple polarization angles, with strong signals achievable even with non-polarized light, minimizing reliance on polarizers. Additionally, we analyze spatial intensity responses and the influence of polarization on excitation patterns, enhancing our understanding of plasmonic interactions. Through Surface Plasmon Resonance imaging (SPRi), we highlight the capability to capture topographical information, further contributing to advancements in plasmonics and the development of improved sensing devices.
Quasi-one-dimensional alternating spin-1/2 antiferromagnetism in perovskite metal formate framework [(NH2)2CH]Cu(HCOO)3
Authors: Li Ying , Wang Jie , Li Yuke , Guo Hanjie , Xu Xing-Liang , Li Xing’ao
Published: December 2024

The formamidinium copper formate [(NH2)2CH]Cu(HCOO)3 (FMD-Cu) with a perovskite-like structure based on a nonporous metal–organic framework (MOF), is presented for its synthesis and magnetic properties. The magnetic properties and their couplings to the structure are derived from detailed magnetic susceptibility and heat capacity measurements. We also discuss the spin exchange couplings based on density functional theory (DFT) calculations. As a result, FMD-Cu exhibits the unusual quasi-one-dimensional antiferromagnetic (AFM) characteristics with the Néel temperature T
N = 12.0 K and an intrachain coupling constant J/k
B ≈ 76.3 K. We also estimate the effective interchain coupling J
*/k
B ≈ 4.24 K, suggesting that FMD-Cu is close to an ideal candidate for one-dimensional magnet. Furthermore, the heat capacity shows a transition to an antiferromagnetic ordering state appears around T
N. Besides, the nonzero parameter γ = 0.089 J mol−1 K−1 obtained from the linear relationship, γT, to the low temperature-dependent zero-field heat capacity data, can be associated with the magnetic excitations in insulating quasi-one-dimensional AFM Heisenberg spin-1/2 chains. The experimental estimate and DFT calculations are entirely consistent with a model of FMD-Cu in which AFM exchange interactions originating from Jahn–Teller distortion of the Cu2+ (3d
9) ions, leaving a sublattice of coupled ferromagnetic (FM) chains. Hence, FMD-Cu is proposed as a canonical model of a quasi-one-dimensional Heisenberg spin-1/2 antiferromagnetic material.
Topological states in finite graphene nanoribbons tuned by electric fields
Authors: T Kuo David M
Published: December 2024

In this comprehensive study, we conduct a theoretical investigation into the Stark shift of topological states (TSs) in finite armchair graphene nanoribbons (AGNRs) and heterostructures under transverse electric fields. Our focus centers on the multiple end zigzag edge states of AGNRs and the interface states of

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AGNR heterostructures. For the formal TSs, we observe a distinctive blue Stark shift in energy levels relative to the electric field within a range where the energy levels of TSs do not merge into the energy levels of bulk states. Conversely, for the latter TSs, we identify an oscillatory Stark shift in energy levels around the Fermi level. Simultaneously, we reveal the impact of the Stark effect on the transmission coefficients for both types of TSs. Notably, we uncover intriguing spectra in the multiple end zigzag edge states. In the case of finite

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AGNR heterostructures, the spectra of transmission coefficient reveal that the coupling strength between the topological interface states can be well controlled by the transverse electric fields. The outcomes of this research not only contribute to a deeper understanding of the electronic property in graphene-based materials but also pave the way for innovations in next-generation electronic devices and quantum technologies.
Accurate computation of gas binding in the nanoscale porous organic cage CC3 via coupled cluster theory
Authors: Lao Ka Un
Published: December 2024

This study investigates the binding of seven gas molecules—N2, CH4, C2H2, CO2, H2O, SF6, and CHCl3-within the central cavity of the nanoscale porous organic cage CC3, using a high-level local coupled cluster method that accounts for single, double, and perturbative triple excitations, extrapolated to the complete basis set limit. This results in the formation of the CC3@7 dataset, which presents unique challenges due to the need for accurate descriptions of confinement effects and many-body interactions that contribute to binding. The CC3@7 dataset is used to evaluate a variety of lower-cost computational approaches. Among the methods tested for accurately predicting the binding order for all seven gas molecules, the recommended MP2-based approach is MP2+aiD(CCD), which achieves a mean absolute error (MAE) of 0.4 kcal mol−1. For density functional theory (DFT) methods, B97M-V+E
ABC, B97M-V, M06-L-D3, B97M-rV+E
ABC, PBE0+D4, and PBE+D4 are recommended, with MAEs ranging from 0.3 to 0.4 kcal mol−1. Additionally, r2SCAN-3c and ωB97X-3c are identified as low-cost options, with MAEs of approximately 1 kcal mol−1. Considering both accuracy and stability, PBE0+D4 is recommended for investigating nanoscale host–guest bindings when only DFT methods are feasible. Furthermore, PBE0+D4 has been successfully applied to study the binding of additional atoms and hindered solvent molecules, demonstrating the flexibility of the CC3 cage to accommodate larger molecules that exceed its cavity size.
Dependence of plasma dynamics on the strength of spatiotemporal-changing magnetic field in an RF plasma thruster using rotating magnetic field acceleration method
Authors: Furukawa Takeru , Kuwahara Daisuke , Shinohara Shunjiro
Published: December 2024

The rotating magnetic field (RMF) acceleration method is a newly proposed approach to enhance the performance of electrodeless radio frequency (RF) plasma thruster. In the previous study, electron current drive in the azimuthal direction was observed using the RMF method, which resulted in the electromagnetic force in the presence of a magnetic nozzle. To further optimize the acceleration effect with the RMF method, we investigated the dependence of spatial profiles of plasma parameters and the driven current density on the RMF field strength. We observed a higher azimuthal-current density in plasma compared to the previous campaign. According to spatial electrostatic probe measurements, the ion Mach number spatially increases with the increase in RMF strength. The ion acceleration on the z-axis can result from the presence of spatial convergence of electron pressure due to radial electron transport. Total thrust composed of a static pressure term and electromagnetic force increases with higher RMF strength under the full penetration condition of the RMF. We clarified the strengthening RMF field contributes to the enhancement of the azimuthal current and spatial ion acceleration effect, leading to the thrust increment. These findings, although the thrust performance is not yet at a practical level, hold significant potential for the future optimization of the RMF acceleration method applied to electrodeless RF plasma thrusters.
Moderate Influence of Halo Spin on Stellar Mass Distributions in Dwarf and Massive Galaxies
Authors: Rong Yu , Hua Zichen , Hu Huijie
Published: December 2024

We estimate halo spins for H i-rich galaxies in the Arecibo Legacy Fast ALFA survey using a semi-analytic approach, examining the relationship between halo spin and stellar surface density. Our findings reveal an inverse correlation in both low- and high-mass galaxy samples, with stellar surface density decreasing as halo spin increases. This trend highlights the pivotal role of halo spin in galaxy evolution and suggests a universal formation scenario: high-spin halos, accompanied by high-spin accreted gas, retain angular momentum, preventing gas from efficiently condensing in the galactic center and thus suppressing star formation. Consequently, weak feedback redistributes gas to the halo outskirts without significant expulsion. The shallower central gravitational potential in high-spin halos promotes outward stellar migration, leading to more extended stellar distributions and lower stellar surface densities.
Mu down regulation EEG-neurofeedback training combined to motor imagery facilitates early consolidation in a sequential finger tapping task
Authors: Hanna Mira , Kobaïter Maarrawi Sandra , Abdul Malak Rami , Bou Merhy Rose Mery , Maarrawi Joseph
Published: December 2024

Objective. Motor imagery (MI) has demonstrated positive effects on motor performance and triggers activation in the motor cortex (MC). EEG-Neurofeedback (EEG-NF) is a neuromodulation technique that provides real-time feedback on one’s brain activity, enabling self-regulation of brain states. While there is increasing evidence of humans controlling the activity of various brain networks, including the MC, through EEG-NF, the tangible benefits of this self-regulation on motor performance remain uncertain. This study investigates the potential benefits of EEG-NF training in explicit learning of a sequential movement, in comparison to MI training and to a combined EEG-NF and MI training. Approach. Ninety-one right-handed healthy adults were randomly assigned to one of four groups (a)NF(n = 24), (b)MI(n = 22), (c)MI + NF(n = 23) and (d)control(n = 22). Participants performed a sequential finger tapping task before and after (immediately, 20 min and 24 h) a single 30 min training session. Motor performance, movement speed and event related desynchronization data were analyzed. Main results. MI training led to a better motor performance compared to control condition immediately after training that was sustained at the 20 min retest time point (p = 0.02 and 0.05). In contrast, EEG-NF training alone did not yield better motor performance compared to control condition at any time-point (p > .05). Remarkably, only the combination of both trainings led to superior motor performance 24 h after training in comparison to control group (p = 0.02). Additionally, all experimental groups successfully decreased mu rhythm amplitude throughout most of the training. Significance. Combined EEG-NF and MI training appears particularly promising for enhancing motor consolidation holding the potential to advance rehabilitation approaches.
Development of a machine learning tool to predict deep inspiration breath hold requirement for locoregional right-sided breast radiation therapy patients
Authors: Barrett Fletcher , Quirk Sarah , Stenhouse Kailyn , Long Karen , Roumeliotis Michael , Lee Sangjune , Souza Roberto , McGeachy Philip
Published: December 2024

Background and purpose. This study presents machine learning (ML) models that predict if deep inspiration breath hold (DIBH) is needed based on lung dose in right-sided breast cancer patients during the initial computed tomography (CT) appointment. Materials and methods. Anatomic distances were extracted from a single-institution dataset of free breathing (FB) CT scans from locoregional right-sided breast cancer patients. Models were developed using combinations of anatomic distances and ML classification algorithms (gradient boosting, k-nearest neighbors, logistic regression, random forest, and support vector machine) and optimized over 100 iterations using stratified 5-fold cross-validation. Models were grouped by the number of anatomic distances used during development; those with the highest validation accuracy were selected as final models. Final models were compared based on their predictive ability, measurement collection efficiency, and robustness to simulated user error during measurement collection. Results. This retrospective study included 238 patients treated between 2016 and 2021. Model development ended once eight anatomic distances were included, and the validation accuracy plateaued. The best performing model used logistic regression with four anatomic distances achieving 80.5% average testing accuracy, with minimal false negatives and positives (<27%). The anatomic distances required for prediction were collected within 3 min and were robust to simulated user error during measurement collection, changing accuracy by <5%. Conclusion. Our logistic regression model using four anatomic distances provided the best balance between efficiency, robustness, and ability to predict if DIBH was needed for locoregional right-sided breast cancer patients.
Insights to the formation of Zr-based metal–organic frameworks from in situ powder x-ray diffraction
Authors: Petersen E Eja , Main Russell M , Magdysyuk Oxana V , Kelly Nicole L , Borthwick Emma A L , Naden Aaron B , Ashbrook Sharon E , Morris Russell E , Ettlinger Romy
Published: December 2024

This study sheds light on the kinetics of crystallisation of two Zr-based metal–organic frameworks (MOFs), namely Zr6-MOF-808 and Zr6-MOF-801, using in situ powder x-ray diffraction (PXRD). Once a room temperature synthesis for the two MOFs was designed for the very small scale, a successful series of in situ PXRD experiments over the range of 10 °C–40 °C yielded high quality quantitative information on the kinetics of crystallisation for both MOFs. These findings indicate the importance of the solubility of the linker and its connectivity: while the rate of nucleation and the resulting particle size of the MOF (Zr6-MOF-801), with the less soluble and lower connected linker, was strongly temperature dependent, the growth and particle size of Zr6-MOF-808 was hardly impacted by an increase in temperature. This work highlights the importance of careful preliminary research and helps to improve future MOF synthesis design to efficiently achieve the desired particle size distribution.
Stability-Indicating Liquid Chromatographic Method Development for the Simultaneous Determination of Amitriptyline Hydrochloride and Propranolol Hydrochloride in Tablet Dosage Form
Authors: Chabala Obi Reddy , Haque Md Simon , Thirumoorthy Durai Ananda Kumar
Published: December 2024

The combination of the tricyclic antidepressant amitriptyline hydrochloride (AMH) and the non-selective beta-adrenergic blocker propranolol hydrochloride (PPH) is used for migraine prophylaxis. Higher doses of AMH trigger cardiac arrhythmias, anxiety, tachycardia, convulsions, hyperglycemia and anticholinergic side effects. The combined dosage formulation of AMH and PPH leads to drug–drug interactions; causes sedation, xerostomia, dysuria, insomnia and bradycardia; and results in patient non-compliance. The quantification of AMH and PPN becomes essential, especially for combination formulations, in addition to regular quality control to avoid clinical issues. Considering these facts into account, the reverse-phase -high-performance liquid chromatography (RP-HPLC) method was developed in accordance with International Council for Harmonization of Technical Requirements for Pharmaceuticals for Human Use Q2(R1) guidelines for the simultaneous determination of AMH and PPH. The HPLC separation was performed on an HPLC system (Shimadzu, Japan, Prominence I series 2030C) using a Shimadzu Shim-Pack GIST C18 column (100 mm × 4.6 mm, 5 μ), which was equipped with an ultraviolet detector at the isosbestic point 238 nm. The mixture of acetonitrile and orthophosphoric acid (pH 3.5) in a ratio of 35:65 v/v with a flow rate of 0.75 mL/min was used as the mobile phase. The regression coefficients of AMH (r2 > 0.998) and PPH (r2 > 0.999) show good linearity between peak areas and drug concentration ranges. The limits of detection (AMH = 0.67 μg/mL, PPH = 0.67 μg/mL) and limits of quantification (AMH = 2.04 μg/mL, PPH = 2.05 μg/mL) demonstrated the higher detection sensitivity of the proposed method.
Imaging using diffusion-weighted whole-body imaging with background signal suppression for methotrexate-associated lymphoproliferative disorder: A case report
Authors: Mochizuki Takeshi , Otani Naoko , Ando Mari , Hiroshima Ryo , Yano Koichiro , Ikari Katsunori , Okazaki Ken
Published: December 2024

Patients with rheumatoid arthritis (RA) receiving immunosuppressive therapy including methotrexate (MTX) are at risk of developing lymphoproliferative disorder (LPD). Herein, we report the case of a 61-year-old man who has been treated with MTX and sulfasalazine for seropositive RA since the age of 52 years. He underwent diffusion-weighted whole-body imaging with background signal suppression (DWIBS), which revealed high-intensity lesions in the affected lymph nodes of the cervical, clavicular, and axillary regions. Follow-up DWIBS after MTX withdrawal showed the suppression or disappearance of the high-intensity lesions. This case demonstrates the potential of DWIBS as a new standard imaging modality for MTX-LPD in patients with RA in clinical practice.
Foot‐and‐mouth disease virus 2B protein antagonizes STING‐induced antiviral activity by targeting YTHDF2
Authors: Xue Qiao , Ma Ke , Yang Fan , Liu Huisheng , Cao Weijun , Liu Pengfei , Zhu Zixiang , Zheng Haixue
Published: December 2024

Foot‐and‐mouth disease virus (FMDV) infection modulates the retinoic acid‐inducible gene I (RIG‐I)‐like receptors (RLRs) pathways to inhibit the innate immune responses in the host. However, the mechanism by which FMDV antagonizes the DNA‐induced signaling pathway remains to be clarified. In this study, we determined that FMDV infection inhibited stimulator of interferon genes (STING) at the levels of both mRNA and protein expression, and FMDV 2B and 3Cpro proteins promoted STING decline. FMDV 3Cpro induced the decrease in STING depending on its protease activity. FMDV 2B reduced STING expression by disrupting its mRNA level. Mechanistically, 2B inhibited the mRNA of STING by recruiting YTH m6A RNA‐binding protein 2 (YTHDF2) to bind to STING mRNA, repressing the generation of FMDV‐induced type‐I interferon and facilitating virus replication. This effect was triggered by residue 105 of 2B. The 2B K105A mutant FMDV was successfully rescued, and further studies showed that the pathogenicity was attenuated by mutation at site K105 of FMDV 2B. YTHDF2 also promoted FMDV replication through interferon‐dependent and interferon‐independent pathways. Moreover, YTHDF2‐deficient mice showed stronger resistance to FMDV infection. Our study reveals a potential mechanism for FMDV 2B negatively modulating innate immunity at transcriptional levels, promoting the understanding of immune evasion and YTHDF2 function in the FMDV infection process.