bluuebunny/crossref_metadata_2025 huggingface dataset:
Separation of metals using in situ formation of DES–DES biphasic systems
Authors: Nogueira André , Vallejos-Michea Camila , Fateixa Sara , Jimenez Yecid P. , Coutinho João A. P. , Schaeffer Nicolas
Published: December 2024

The in situ formation of a biphasic system based on DES components is characterised and applied for enhanced metal separation.
Two-dimensional Cu-phenylalanine nanoflakes for efficient and robust CO2 electroreduction to C2+ products
Authors: Zhou Wenda , Chen Mingyue , Luo Xingfang , Yuan Cailei , Liu Shoujie , Lei Wen , Wang Shouguo
Published: December 2024

The moderate oxidation state of Cu stabilized by carboxylic ligands and Cu–N coordination promotes efficient and stable C–C coupling.
Competition between C–H⋯S and S–H⋯Cl H-bonds in a CHCl3–H2S complex: a combined matrix isolation IR spectroscopic and quantum chemical investigation
Authors: Oram Binod Kumar , Monu  , Kothari Ankita , Bandyopadhyay Biman
Published: December 2024

CHCl3 and H2S act as both H-bond donor and acceptor to form two binary complexes separated by very low barrier. Yet interconversion is restricted in a cold and solid argon matrix resulting in the formation and identification of both complexes.
Adsorption hierarchy of surfactants and polymers to a damaged hair model: effect of composition, order and polymer size
Authors: Cozzolino Serena , Gutfreund Philipp , Vorobiev Alexei , Welbourn Rebecca J. L. , Greaves Andrew , Zuttion Francesca , Rutland Mark W. , Luengo Gustavo S.
Published: December 2024

A partially damaged hair surface is mimicked by a mixture of hydrophobic and sulphonate-terminated thiols. Chitosan adsorbs on it as separate aggregates. SDS forms different structures when adsorbed after chitosans of different molecular weight.
Recent advances in atmospheric water harvesting technology and its development
Authors: Xiang Tianyi , Xie Shangzhen , Chen Guopeng , Zhang Congji , Guo Zhiguang
Published: December 2024

This article provides an overview of the advancements in atmospheric water collection driven by solar energy. The roles of materials, surfaces, equipment, and systems in enhancing water collection efficiency are discussed.
Progress in the discovery and development of anticancer agents from marine cyanobacteria
Authors: Luesch Hendrik , Ellis Emma K. , Chen Qi-Yin , Ratnayake Ranjala
Published: December 2024

We describe the pipeline of anticancer agents from marine cyanobacteria, highlighting critical steps from discovery towards development, including the identification of the molecular target and mechanism of action, and solving the supply problem.
Unveiling the role of surface iodine vacancies in CsPbI3 perovskite: carrier recombination dynamics and defect passivation mechanisms
Authors: Wang Jing , Duan Xiang-Mei
Published: December 2024

Surface iodine vacancies in a CsPbI3 perovskite accelerate carrier recombination, while Lewis base groups, such as HCOO−, significantly enhance carrier lifetime and device efficiency.
Hybrid nanostructures of urchin-like MnCo2O4.5 micro flowers on N, B co-doped rGO for electrochemical determination of paracetamol
Authors: Yavari Nazanin , Ghanbari Khadijeh
Published: December 2024

An electrochemical sensor based on a MnCo2O4.5/BN-rGO nanocomposite was developed for selective and sensitive determination of paracetamol.
Experimental design of (Cs,Rb)2Sn(Bi)Cl6 blue phosphors by cation-substitution-induced lattice strain
Authors: Stroyuk Oleksandr , Raievska Oleksandra , Daum Manuel , Kupfer Christian , Osvet Andres , Hauch Jens , Brabec Christoph J.
Published: December 2024

Blue self-trapped-exciton photoluminescence of (CsxRb1−x)2SnyBi1−yCl6 perovskites is affected by lattice strain from Cs/Rb and Sn/Bi substitutions, the emission intensity and dynamics correlating with the strain magnitude.
The open to closed D-loop conformational switch determines length in filopodia-like actin bundles
Authors: Gadsby Jonathan R. , Ioannou Pantelis Savvas , Butler Richard , Mason Julia , Smith Alison J. , Dobramysl Ulrich , Chin Stacey E. , Dobson Claire , Gallop Jennifer L.
Published: December 2024

Filopodia, microspikes and cytonemes are implicated in sensing the environment and in dissemination of morphogens, organelles and pathogens across tissues. Their major structural component is parallel bundles of actin filaments that assemble from the cell membrane. Whilst the length of filopodia is central to their function, it is not known how their lengths are determined by actin bundle dynamics. Here, we identified a set of monoclonal antibodies that lengthen filopodia-like structures formed in a cell-free reconstitution system, and used them to uncover a key molecular switch governing length regulation. Using immunolabelling, enzyme-linked immunosorbent assays, immunoprecipitation and immunoblock experiments, we identified four antibodies that lengthen actin bundles by selectively binding the open DNase 1-binding loop (D-loop) of actin filaments. The antibodies inhibit actin disassembly and their effects can be alleviated by providing additional actin or cofilin. This work indicates that maintaining an open state of the actin filament D-loop is a mechanism of generating long filopodia-like actin bundles.
Tweaking the redox properties of PpcA from Geobacter metallireducens with protein engineering
Authors: Portela Pilar C. , Silva Marta A. , Almeida Alexandre , Damas Gonçalo F. , Salgueiro Carlos A.
Published: December 2024

Geobacter’s unique ability to perform extracellular electron transfer (EET) to electrodes in microbial fuel cells (MFCs) has sparked the implementation of sustainable production of electrical energy. However, the electrochemical performance of Geobacter’s biofilms in MFCs remains challenging to implement industrially. Multiple approaches are being investigated to enhance MFC technologies. Protein engineering of multihaem cytochromes, key components of Geobacter’s EET pathways, can, conceivably, be pursued to improve the EET chain. The periplasmic cytochrome PpcA bridges ET from the inner to the outer membrane and its deletion impairs this crucial step. The functional characterisation of PpcA homologues from Geobacter sulfurreducens (Gs) and Geobacter metallireducens (Gm) revealed a significantly different redox behaviour even though they only differ by thirteen amino acids. In a previous study, we found that the single replacement of a tryptophan residue by methionine (W45M) in PpcAGm shifted the reduction potential value 33% towards that of PpcAGs. In this work, we expanded our investigation to include other non-conserved residues by conducting five mutation rounds. We identified the most relevant residues controlling the redox properties of PpcAGm. With just four mutations (K19, G25, N26, W45) the reduction potential value of PpcAGm was shifted 71% toward that of PpcAGs. Additionally, in the quadruple mutant, it was possible to replicate the haem oxidation order and the functional mechanisms of PpcAGs, which differ from those in PpcAGm. Overall, the mutants exhibit diverse redox and functional mechanisms that could be explored as a library for the future design of minimal, synthetic, ET chains in Geobacter.
Penser l’éducation thérapeutique de demain : les apports de la santé communautaire et de l’éducation populaire
Authors: Denoual Hélène , Astier Camille , Guével Marie-Renée
Published: December 2024

Si les démarches d’éducation thérapeutique du patient (ETP) tendent à se démocratiser, les professionnels de l’ETP restent cependant confrontés à un certain nombre de questionnements qui les interpellent dans leurs pratiques quotidiennes : Comment faire venir les personnes à l’ETP ou comment rendre accessible cette dernière au plus grand nombre ? Comment aller vers ceux qui bénéficieraient de cette démarche ? Comment prendre en compte l’environnement des patients accompagnés quand celui-ci n’est pas favorable à l’adoption de nouvelles habitudes de vie ? Quels sont les leviers d’action ? Tous ces questionnements ne sont pas nouveaux mais demandent à être posés pour penser l’ETP de demain. Cet article propose d’explorer des pistes de réponse en s’appuyant sur un retour d’expérience suite à la mise en place de l’expérimentation Les Semeurs de Santé, portée par la plateforme territoriale d’ETP de Lorient-Quimperlé en Bretagne. Les Semeurs de Santé est une intervention ancrée dans le champ de la promotion de la santé croisant ETP, santé communautaire et éducation populaire. Cet article revient sur les évolutions insufflées par ce croisement dans les pratiques d’accompagnement des professionnelles de la plateforme territoriale d’ETP tant en termes de valeurs, de méthodologie que de posture professionnelle.
Singular limit and dynamics of the Timoshenko system with second sound and past history
Authors: Cui Xiaona , Yao Shaokui , Zhang Lingrui
Published: December 2024

This paper is concerned with the Timoshenko system with second sound and past history. We first prove that the Timoshenko system is the singular limit of the system we considered as δ → 0. Then by showing that the system is dissipative, asymptotically compact, and quasi stable, we establish the existence of the global attractor Aδ with finite fractal dimension. Through deep analysis, we also get the further regularity of the attractors, the existence of the generalized exponential attractor. Finally, we prove that the global attractor Aδ is supper-semicontinuous.
A systematic approach for synthesizing 3D-printable all-dielectric devices
Authors: Passia Maria-Thaleia , Cummer Steven A.
Published: December 2024

We present a systematic approach for synthesizing 3D-printable all-dielectric devices. Inverse design approaches yield, in many cases, configurations with a continuous range of dielectric constant values. However, 3D printer resins usually provide a very limited set of such values; commonly, a single resin and air are the only available materials. We propose a methodology for transforming a device with a continuous range of material properties to a manufacturable one, while preserving the device’s performance as close as possible to the continuous case. We develop an algorithm that takes the continuous range of dielectric constant profile as input and generates a binary and connected device that can be 3D-printed using a single resin. Our methodology advances state-of-the-art algorithms by using manufacturable configurations of prescribed local air/resin composition to realize each designed dielectric material instead of being limited to a predetermined shape. The additional degrees of freedom provided by our approach may be particularly useful in devices of conformal complex-shaped dielectric constant profiles. We demonstrate the proposed methodology by designing a 3D-printable wide-angle refraction metagrating with performance very close to the inversely designed device of a continuous dielectric constant profile. The approach can be adapted to accommodate three-dimensional devices and other applications.
Phase transition in a kinetic mean-field game model of inertial self-propelled agents
Authors: Grover Piyush , Huo Mandy
Published: December 2024

The framework of mean-field games (MFGs) is used for modeling the collective dynamics of large populations of non-cooperative decision-making agents. We formulate and analyze a kinetic MFG model for an interacting system of non-cooperative motile agents with inertial dynamics and finite-range interactions, where each agent is minimizing a biologically inspired cost function. By analyzing the associated coupled forward–backward in a time system of nonlinear Fokker–Planck and Hamilton–Jacobi–Bellman equations, we obtain conditions for closed-loop linear stability of the spatially homogeneous MFG equilibrium that corresponds to an ordered state with non-zero mean speed. Using a combination of analysis and numerical simulations, we show that when energetic cost of control is reduced below a critical value, this equilibrium loses stability, and the system transitions to a traveling wave solution. Our work provides a game-theoretic perspective to the problem of collective motion in non-equilibrium biological and bio-inspired systems.
Impact of blockage ratio on the stability of premixed n-butane-air swirl flames
Authors: Raj Vishnu , Prathap Chockalingam
Published: December 2024

This study explores the impact of blockage ratio on the stability of swirl (axial swirl generator with S1.5) stabilized turbulent premixed n-butane/air flames at 1 bar, 300 K, and ϕ = 1.4 and ϕ = 0.8. Particle image velocimetry experiments and delayed detached eddy simulation simulations are employed to reveal the underlying mechanisms. Increasing the blockage ratio leads to (1) a single broader central recirculation zone (CRZ) to an elongated CRZ with a recirculation zone behind the bluff body and (2) higher turbulence and strain levels generated an intense and narrow flame (jet spread rate = 22°–15°). An adverse effect of enhanced strain rate with an increasing blockage ratio narrowed the measured lean blowoff limits (ϕ = 0.78–0.86). For a higher blockage ratio, the local equivalence ratio (ϕlocal) to the reaction side decreased due to (1) air entrainment and (2) diffusion of deficient species O2 toward the reaction zone. The entrainment of ambient air into the flame was quantified by estimating root mean square local equivalence ratio (ϕrms) from predictions, which showed a 12.1% increase at the outer shear layer of the burner having the highest blockage ratio. Furthermore, the Lewis number effect on a low blockage ratio burner revealed preferential diffusion of product species H2O ahead of CO2 toward the preheat zone for Le < 1 condition (ϕ = 1.4, Le = 0.93). However, based on the local equivalence ratio analysis, no preferential diffusion of the deficient reactant O2 was observed within this regime. The present study with premixed swirl n-butane-air unconfined flames indicated that a higher blockage ratio is beneficial to anchor a stable turbulent flame at ϕ = 1.4, which entrained a large amount of ambient air. In contrast, at lean mixture conditions, the air entrainment decreased the lean blowoff limits at a higher blockage ratio, and hence, a lower blockage ratio is preferable.
Propagation dynamics of dust acoustic modes in collisional multicomponent plasmas
Authors: Ahadi Amir Mohammad , Amvaee Zadeh Mehrnaz , Afshar Davood
Published: December 2024

A comprehensive understanding of the physics underlying the dust-based processes and the ability to control the evolution of structures are essential in the field of plasma physics. This knowledge provides the foundation for numerous advanced scientific applications including the study of celestial objects and the synthesis of nanostructures. In this research, we consider the linear propagation of dust acoustic (DA) and dust ion acoustic (DIA) modes in a collisional plasma in the presence of an electron beam. The obtained dispersion relation demonstrates that the collision parameter and the electron beam density have significant contributions to the mode dynamics. The interactions of cold charged particles with neutrals result in a damping effect in the mode dynamics, which subsequently leads to a typical cutoff in the propagation of dust acoustic modes. Furthermore, the electron beam density can control the damping rate at different conditions. An increase in the electron beam density results in an acceleration of the DA mode damping, while the effect on the DIA mode is the opposite. The influence of the electron beam on the dynamics of the modes is more pronounced in the presence of strong collisions. Our analysis also shows that the propagation dynamics of each mode is strongly related to the wave vector. The damping rate is more pronounced in small wave vectors. Numerical analysis indicates that mode propagation can be controlled by the collision parameters and electron beam density. Furthermore, as a general trend, increasing the wave vector causes a shift in the cutoff toward higher collisions.
Insights into polymer electrolyte stability and reaction pathways: A first-principle calculations study
Authors: Zhour Kazem , Heuer Andreas , Diddens Diddo
Published: December 2024

To identify suitable polymer candidates for electrolytes in solid-state batteries, this study investigates the electrochemical behavior and decomposition pathways of four monomers involving esters, ethers, and carbonates via first-principles calculations. In particular, we determine the oxidation and reduction potentials of these monomers near different ions (Li+, TFSI−, and [Li]+[TFSI]−) and the corresponding reorganization energies. The latter quantity is central to Marcus theory of electron transfer and, therefore, provides additional kinetic information. Our results reveal notable sensitivity of the monomers to reduction in a Li+-rich regime and to oxidation in a TFSI−-rich regime. Additionally, the reactivity and decomposition pathways of the monomers were investigated for various electrochemical environments, focusing on the quantification of gaseous and ionic products during the initial stage of formation of interphasial layers. Based on the electrochemical windows and spontaneous Ab initio molecular dynamics calculations, we observe that monomers containing carbonate groups exhibit greater stability against decomposition caused by reduction, especially in different regimes, when compared to monomers with ester and ether groups.
Epitaxial films and devices of transparent conducting oxides: La:BaSnO3
Authors: Ngabonziza Prosper , Nono Tchiomo Arnaud P.
Published: December 2024

This paper reviews recent developments in materials science and device physics of high-quality epitaxial films of the transparent perovskite La-doped barium stannate, La:BaSnO3. It presents current efforts in the synthesis science of epitaxial La:BaSnO3 films for achieving reduced defect densities and high electron mobility at room temperature. We discuss the scattering mechanisms and the route toward engineering defect-free epitaxial La:BaSnO3 heterostructures. By combining chemical surface characterization and electronic transport studies, special emphasis is laid on the proper correlation between the transport properties and the electronic band structure of La:BaSnO3 films and heterostructures. For application purposes, interesting optical properties of La:BaSnO3 films are discussed. Finally, for their potential application in oxide electronics, an overview of current progress in the fabrication of La:BaSnO3-based thin-film field-effect transistors is presented together with recent progress in the fundamental realization of two-dimensional electron gases with high electron mobility in La:BaSnO3-based heterostructures. Future experimental studies to reveal the potential deployment of La:BaSnO3 films in optoelectronic and transparent electronics are also discussed.
Study on the influence of lamination density and perforation position on fracture height propagation and proppant distribution
Authors: Zhu Danyang , Mou Jianye , Zou Yushi , Zhang Shicheng , Yang Feng , Zhong Anhai , Lu Mingjing
Published: December 2024

In the Bonan block of the Jiyang Depression, the lacustrine shale exhibits various types of organic-rich laminar lithofacies with complex distributions in lamination density and thickness, showing clear cyclic variations vertically over scales of several meters or even centimeters. These variations in lamination density and depth significantly impact the effectiveness of fracturing treatments in well placement. This study utilized downhole cores from the Shahejie Formation in the Bonan block, and based on the development characteristics of the lamination, a sampling scheme was designed. Small-scale true triaxial hydraulic fracturing experiments were conducted in the laboratory, focusing on the relationship between lamination density and perforation locations. Post-experiment analyses using computed tomography and acoustic emission monitoring examined fracture morphology, width variations, and proppant migration and placement within the fractures. The results indicate that high lamination density influences the propagation path of hydraulic fractures, restricting their vertical penetration through layers. Fracture initiation points closer to the lamination result in lower fluid injection pressure rise rates, thereby reducing the efficiency of the fracturing fluid. Lamination activated at the same depth generally produces narrower fractures than the main hydraulic fractures. Proppants are predominantly distributed within the main hydraulic fractures, with limited vertical migration into the lamination, resulting in the propped volume accounting for less than 10% of the total fracture volume. This study provides new insights and optimization strategies for well placement and perforation positioning in the hydraulic fracturing of organic-rich laminar lithofacies shale reservoirs.
Influence of flow nonuniformities and real gas effects on cylindrical shock wave convergence
Authors: Bhardwaj Sourabh , Rojas Mata Sebastián , Apazidis Nicholas , Liverts Michael
Published: December 2024

Convergence of cylindrical shock in argon is studied both experimentally and numerically. Shock tube experiments are conducted, where a planar shock is first transformed to a cylindrical shape and then converged to its focal axis. Numerical simulations of the converging shock using equations of state for an ideal gas and a real gas (SESAME 5173 model) are conducted and compared. High temporal resolution data of cylindrical shock convergence is presented. When comparing the trajectories of the converging shock of initial shock Mach number (MS) of 4.63, the convergence exponent (α) in experiments is found to be 0.833. This α value in experiments is higher than the value obtained from computations with argon treated as an ideal gas but agrees well with the real gas computations. It is revealed that the form of convergence varies with different MS. An asymptotic approach of α toward the self-similar solution for high MS is attributed to an earlier transition of shock motion to self-similarity, while a significantly higher α observed at lower MS is attributed to the negative influence of upstream nonuniformities and weaker initiation of the shock. It is found that even before the shock reflection, real gas effects are significant enough to affect the convergence of the shock and limit the extreme conditions predicted by the ideal gas computations. For an MS of 4.63, the maximum temperature reached is 9250 K before reflection, leading to 0.12% of the argon gas undergoing the first stage of ionization.
Dynamic analysis of the air–water interface instability in a wind-wave flume: Initial conditions for wave generation
Authors: Zhang Qing-Hua , Ma Jian , Qu Yuanyuan , Chen Shuiming , Guo Xiao , Zhao Wei , Jiang Wenzheng , Ma Hongyu , Liu Zhanchi
Published: December 2024

This paper aims to investigate the dynamic mechanism for a previously calm water surface under a background wind field, which would lose stability due to minor perturbations. When spatial distribution and growth rate of the shear wind field satisfy a certain relationship, an Orr–Sommerfeld equation can be derived from linearized Navier–Stokes equations, for the amplitude of perturbation waves at the air–water interface. After transforming its coordinates to a finite interval, this fourth-order linear ordinary differential equation with variable coefficients can turn into a linear singular differential equation. It is solved under the background flow fields of air and water using the corrected Fourier method that we previously developed, to yield two sets of four analytical solutions with physical significance. The perturbation flow at the air–water interface must satisfy the kinematic and dynamic matching conditions (continuity of velocity and smooth transition of shear stress), which results in a fourth-order homogeneous linear algebraic equation for four undetermined constants. Setting various parameters in accordance with measured data with a wind-wave flume, the corresponding perturbation waves solution is identified. Our calculation densely distributes the most unstable and readily growing waves among perturbation waves with small phase speeds, consistent with the experimental results. Our perturbation solutions over a flat air–water interface are only applicable to the short period after instability onset, which provides an initial condition for wave generation. The consequent interaction between small-amplitude waves and wind field is beyond the scope of our linear theory, which has indeed been sufficiently addressed in the literature.
Suppressing impact intensity of cavitation collapse by micro-protrusions on the cylinder surface
Authors: Wang Feilin , Zhu Bing , Zhang Huabing , Zhang Wei
Published: December 2024

Under specific cavitating flow conditions, the collapse of cavitation structures near the bluff body surface can trigger intense pressure pulsations, resulting in severe vibration and noise. To effectively control the damage caused by the collapse of cavitation structures, this study investigates the cavitation flow field around a cylinder using a compressible numerical simulation method based on implicit large eddy simulation. This work is the first to examine the cavitation control effects of placing micro-protrusions on the surface of a cylinder. The results show that the wall-attached cavitation collapse near the separation point on the cylinder surface is the main cause of induced vibrations and noise. The height and location of the micro-protrusions are key factors in controlling the wall-attached cavitation in the cylinder's shear layer. It is recommended to position the protrusions approximately 5° upstream of the separation point, with the protrusion height entering at least the logarithmic region of the boundary layer. Appropriately placed micro-protrusions can block the reverse flow, reducing the cavitation volume involved in the collapse and the overall collapse intensity, thereby diminishing the load impact on the cylinder surface.
Collective motions of microorganisms in geometric confinement
Authors: Zhang Minkang , Yu Zhaosheng , Xia Yan , Ouyang Zhenyu , Chen Sheng , Lin Zhaowu
Published: December 2024

The ways in which microorganisms behave in their confined environment remain unclear. To understand the dynamics of microorganisms swimming in geometric confinement, a fictitious domain method is applied to study the collective motions of squirmers in viscoelastic fluids confined by circular chambers at low Reynolds numbers. It is observed that both pushers and pullers accumulate near the walls, which is enhanced by fluid elasticity. The results show that wall accumulations slow down their swimming speeds. At high concentrations, the pullers not only form significant multilayer structures near the boundary but also aggregate into clusters in the central area. It seems both behaviors compete with each other. Upon further analysis, it is found that the squirmer orientations incline toward the walls, strengthened by fluid elasticity. It is believed that this is connected with the wall accumulations.
Experimental investigation of unsteady nature of shock waves induced by various ramps
Authors: Gan Tian , Wang Qiong
Published: December 2024

The ramp induced shock wave boundary layer interaction (RI-SWBLI) has been investigated experimentally at different ramp angles in a Ma = 3 flow. The shock unsteady nature has been examined in detail by using a semi-quantitative processing of Schlieren images. The shock-wave locations are extracted to allow spectral analysis of the shock-wave oscillations. Results show that the shock motion is associated with the state of separation, which has been categorized into three classifications based on semi-quantitative Schlieren measurements, namely, unseparated, initially separated, and fully separated. The statistical analysis of the shock oscillation illustrates that the probability distribution function and power spectral density (PSD) along two locations of a certain height follow almost the same principles in the time–frequency domain. The PSD results show that significant variations of shock motion of lower location occur at 30° ramp interaction flow according to the PSD, which is characterized by a lower energy, wide range, and uniformly distributed motion. The probability of the reattachment shock events first rises at 24° ramp interaction flow. With increase in ramp angle, the axial position at the peak of the probability of shock events slowly transfers to upstream positions. Moreover, a conceptual model of the shock motion is proposed to preliminarily reveal the unsteady nature of shock induced by a RI-SWBLI, including three scenarios: In nonseparating interaction flows, the shock motion is mainly affected by the upstream turbulent boundary layer and the shear layer on the ramp. During the initial separation process, the shock wave motion is mainly affected by the pulsations of separation bubble. With full separation, impact movement is primarily controlled by newly designed aerodynamic ramp.
Research on performance curve prediction of centrifugal pump based on improved whale optimization algorithm and characteristic deformation method
Authors: Chen Yuhao , Zhang Fan , Chen Ke , Zhu Lufeng , Yuan Shouqi
Published: December 2024

This article proposes an improved hybrid method combining whale optimization algorithm (IMWOA) and the characteristic deformation method (CDM) to predict the performance curve of centrifugal pumps. The traditional whale optimization algorithm (WOA) is enhanced by introducing chaos mapping, adaptive weight, nonlinear convergence factor strategies, and mutation concept from the genetic algorithm. These improvements make IMWOA significantly superior to the traditional WOA in the basic criterion test functions. To address the limitations of sample set size and differences in data characteristics in practical applications, this paper also introduces CDM strategies, including dynamic parameter adjustment strategy and mixed standardization strategy. Comparative analysis shows that the IMWOA-CDM method achieves better results in various performance evaluation indicators. The final experimental results validated the high accuracy and reliability of the IMWOA-CDM method in predicting the performance curve of centrifugal pumps, with a maximum absolute error of 1.21 m for head and 1.08% for efficiency.
The comparison of pump flow field via decomposition mode dynamic and proper orthogonal decomposition: An analysis of gappy proper orthogonal decomposition
Authors: Peng Wenjie , Pei Ji , Wang Wenjie , Yuan Shouqi , Chen Jia , Gan Xingcheng , Deng Qifan
Published: December 2024

To meet the real-time requirements of digital twin and enhance computational efficiency, this paper explores the application of modal decomposition techniques, proper orthogonal decomposition (POD) and dynamic mode decomposition (DMD), in the field of pump fluid dynamics instead of traditional numerical simulation, which is limited by the complexity of the Navier–Stokes equations. Before decomposition, transient flow field of pump impeller and volute needs to be calculated under 0.6Q and 1.0Q, with significant differences. The results show that the first five modes capture most of the flow field's energy, with errors remaining below 10−2 even at 30 modes. However, the flow at off-design conditions is more unstable, with higher reconstruction errors using POD and more fragmented flow features in the DMD analysis. More importantly, to address potential incomplete data, gappy-POD was used to reconstruct data from single and multiple snapshots with varying levels of data loss. For single snapshots, reconstruction error is minimally affected by data sparsity, with errors below 0.0005 at 20 modes. For multiple snapshots, reconstruction accuracy is more sensitive to the iteration count and sparsity level, with a negative correlation between the sparsity level and the number of modes. Especially, when the sparsity level is less than or equal to 50%, the error does not significantly decrease after 10 iterations. At an 80% sparsity level, the iteration count significantly impacts the data repairing, with the first ten modes being more beneficial for repairing in missing data after 15 iterations.
Pressure characteristics and force analysis of pump turbine in variable-pressure outlet pump mode
Authors: Li Xin , Li Zhenggui , Xu Lixin , Wang Ye , Cai Lin , Zhao Yi
Published: December 2024

A nonstationary numerical simulation was performed on the outlet pressure stabilization and periodic variable-pressure condition of a pump turbine model in the pumping condition. The objective was to dissect the flow mechanism and force characteristics of components within the outlet variable-pressure pumping condition of the pump turbine and to probe into the stability of the pump turbine under such working conditions. Additionally, the alterations in the runner state, pressure distribution, pressure pulsation, as well as the forces exerted on the runner and top cover during this process were analyzed. The results demonstrated that the internal pressure and flow pattern of the pump turbine under variable-pressure conditions fluctuated periodically in accordance with the outlet pressure. An augmented frequency of the outlet pressure variation led to an elevation in the amplitude of the internal pressure change. Nevertheless, a hysteresis difference was observed in the changes of the flow channel pressure and flow pattern. The pressure pulsation in the runner area was influenced by the runner rotation, static and dynamic interferences in the lobe-free area, and the unsteady flow induced by the alterations in the outlet pressure.
Effect of single and multiple acoustic frequencies on the atomization of a spray
Authors: Kureshee Aadil , Jha N. K. , Singh Vikram , Hota R. N. , Narayanan S. , Mandal Deepak Kumar
Published: December 2024

A comprehensive investigation on the behavior of methanol and diesel sprays when subjected to single and multiple-frequency acoustic fields is provided. For all acoustic frequencies, the cone angle and penetration length rise while the Sauter mean diameter (SMD) reduces, indicating an atomization improvement in an acoustic field. Furthermore, the rise in cone angle/penetration length and decline in SMD are observed to be higher at lower frequencies, showing a significant enhancement in the atomization compared to the higher frequencies. Particle image velocimetry is employed to understand the spray dynamics in single/multiple frequency acoustic fields. The velocity vectors show a higher magnitude at lower frequencies compared to the higher ones, indicating the presence of higher acoustic streaming at lower frequencies. The presence of an acoustic source at the bottom of the sprays shows the formation of strong recirculation zones in the sprays, enhancing the mixing due to higher air entrainment because of intense streaming. The streaming is significant at lower frequencies compared to the higher ones. Furthermore, the data predicted using the Rosin–Rammler distribution model show good agreement with the measured one. Empirical relations are developed for the cone angle/penetration length/SMD. The smaller drops' number in the spray is determined to quantify the acoustic frequency's influence on the atomization. The presence of many smaller drops in acoustics is observed, and the number increases at lower and combined acoustic frequencies. Thus, the study unequivocally demonstrates that the presence of low/combined acoustic frequencies is essential for achieving an atomization enhancement.
Falls on an inpatient brain injury rehabilitation unit … What are the consequences?
Authors: Marshall Kathryn , Griffin Janelle , Knowles Joshua , Galletly Shannon , Patterson Freyr , Bell Ryan
Published: December 2024

Background and objectives Falls research has explored the characteristics of patients with a brain injury who experienced falls and the nature of these falls. However, the characteristics of falls with consequence have not yet been investigated. This study aimed to explore the consequences of patient falls in inpatient brain injury rehabilitation. Method Data were retrospectively analysed from incident reports and patient medical charts. Participants were included who had fallen during brain injury rehabilitation at a metropolitan hospital between January 2017 and December 2021. Falls with a reported consequence including pain, laceration, soft tissue injury, fracture and traumatic brain injury (consequential falls) were compared to falls that did not have a consequence. Significant patient and fall variables for a fall with consequence were explored. Results Over the 5-year study period 855 patients were admitted and 161 patients (64% male) experienced 276 falls. Of the 161 patients, 90 (56%) experienced a consequence from one or more falls, with 119 (43%) of falls having consequences. The odds of a consequential fall increased 1.03 times for each year increase in age. The odds of a consequential fall in autumn, winter, and spring were two to three times higher than in summer and were 3.6 times higher when the fall was unwitnessed by staff. Conclusions More falls with consequence occurred with increasing age and when unwitnessed by staff. This knowledge supports the need for older persons to have additional supervision and assistance during inpatient brain injury rehabilitation to reduce harm from falls.
Hierarchical population genetic structure and signatures of adaptation in Lates calcarifer
Authors: Campbell Matthew A. , Becker Joy A.
Published: December 2024

Context Lates calcarifer is a widespread Indo-Pacific fish that is important in aquaculture, recreational and commercial fisheries. Genetic divergences from different data sources and sampling schemes have been reported. Aims To conduct phylogenetic and population genetic analyses from a geographically and phylogenetically representative data set to identify hierarchical divisions within L. calcarifer. We further test the evolutionary significance of genetic units in terms of signatures of adaptation. Methods Using a whole-genome sequence data set of 61 fish, including an outgroup, we conducted phylogenetic and population genetic analyses. We also generated measures of fixation index (Fst), nucleotide diversity (π) and Tajima’s D (D). Key results We identified three main lineages of L. calcarifer, corresponding to the Indian subcontinent, South-east Asia and Australasia. Subdivision within each of the three main lineages was also identified and characterised. Adaptively significant differences are indicated within and among the three main lineages. Conclusions L. calcarifer exhibits genetic divergences at different levels that originate before and during the Pleistocene. These divergences are associated with adaptive divergence but unclear phenotypic changes. Implications This study has highlighted the need for comprehensive sampling and integrative study of genotypes and phenotypes across the range of L. calcarifer.
Addressing the 2050 demand for terrestrial animal source food
Authors: Van Eenennaam Alison L.
Published: December 2024

The high emissions intensity of terrestrial animal source food (TASF) and projected increasing demand in low- and middle-income countries (LMIC) have spurred interest in the development of animal-free alternatives and manufactured food items that aim to substitute for meat, milk, and eggs with the promise of reduced environmental impact of producing food. The developing world is the source of 75% of global emissions from ruminants and will house 86% of the world’s human population by 2050. The adoption of cost-effective, genetic, feed and nutrition practices, and improving livestock health in LMIC are seen as the most promising interventions to reduce emissions resulting from projected increased TASF demand though 2050. Genetic improvement is a particularly attractive approach to productivity enhancements, as such improvements are permanent and cumulative. Alternative proteins may play a role in addressing demand for affordable sources of nutrient-dense foods, however, price will be a major factor influencing adoption given 3.1 billion people globally (42%) were currently unable to afford a healthy diet in 2021. Additionally, there is currently a mismatch between the location of alternative protein companies, and both projected increased TASF demand and emissions. To date, the vast majority (>81%) of these companies are based in high-income countries. The sustainability implications of replacing TASF with alternative proteins at scale needs to consider not only environmental metrics but also the wider economic and social sustainability impacts, given the essential role that livestock play in the livelihoods and food security of approximately 1.3 billion people.
Very broad distribution of β sheet registries of the HIV gp41 fusion peptide supports mutational robustness for fusion and infection
Authors: Zhang Yijin , Schmick Scott D. , Xie Li , Ghosh Ujjayini , Weliky David P.
Published: December 2024

HIV, like other membrane-enveloped viruses, has protein spikes that include a fusion peptide (Fp) segment that binds the host cell membrane and plays a critical role in fusion (joining) viral and cell membranes. The HIV Fp is the ~23 N-terminal residues of the gp41 spike protein. Fp adopts intermolecular antiparallel β sheet structure when lipid fraction cholesterol ≈0.3, which is comparable to host cells. Rotational-echo double-resonance NMR was applied to probe the registries (alignments) of adjacent Fp molecules in membrane-bound sheets. The data were fitted to determine quantitative populations, f(t)’s, of individual antiparallel registries indexed by t, the number of residues in the registry. Both wild-type (WT) and fusion-defective V2E Fp sheets have broad but very different registry distributions, each with at least eight populated registries with f(t) > 0.02, and

t

WT

=
16.1

and ⟨t⟩
V2E
= 18.5. The broad WT distribution likely improves mutational robustness for HIV, as Fp is a neutralization epitope of the immune system, and Fp mutations are required for immune evasion during chronic HIV infection. V2E fusion is reduced because longer Fp sheets increase separation between initially apposed membranes. The f(t)
WT
were well-fitted to free energies that were sums of contributions from sheet length, aligned leucines, and sidechain membrane insertion. The f(t)
V2E
’s were similarly well-fitted except there wasn’t the insertion contribution. Relative to V2E, WT fusion is enhanced by deeper membrane insertion of Fp with accompanying greater dislocation of neighboring lipids. This study provides a rare quantitative determination of broad molecular structural distributions by experiment.
Mitigating methane emissions in grazing beef cattle with a seaweed-based feed additive: Implications for climate-smart agriculture
Authors: Meo-Filho Paulo , Ramirez-Agudelo John F. , Kebreab Ermias
Published: December 2024

The ruminant livestock sector considerably contributes to global greenhouse gas emissions. This study investigates the effectiveness of pelleted bromoform-containing seaweed (
Asparagopsis taxiformis
) (Brominata) as an enteric methane (CH
4
) inhibitor in grazing beef cattle. The primary objective was to assess the impact of this antimethanogenic additive on enteric CH
4
emissions under real-world farm conditions. Twenty-four beef steers, crossbreeds of Wagyu and Angus, with an average liveweight of 399 ± 21.7 kg, were allocated to two treatment groups: Control and Brominata. These animals underwent regular weigh-ins every 14 d, and measurements of CH
4
, carbon dioxide (CO
2
), and hydrogen (H
2
) emissions were conducted using the GreenFeed system. Statistical analysis was conducted using SAS 9.4, wherein the model incorporated fixed effects for treatment, time, their interaction, and a covariate, while accounting for animal variations as a random effect within each phase. Three phases of bromoform intake were identified: a 3-wk ramp-up phase, a 3-wk optimal phase, and a 2-wk decreasing phase. No differences were observed between the weekly initial and final liveweight, average daily gain, and predicted dry matter intake. During optimal and decreasing phases, average enteric CH
4
emissions were significantly reduced in steers that received Brominata supplementation compared to those without supplementation (115 vs. 185 g/d, respectively). Additionally, both groups had similar CO
2
emissions (6.8 vs. 7.2 kg/d), while H
2
emissions were lower in the control group (3.4 vs. 1.8 g/d). The findings suggest that pelleted bromoform-containing feed additive has the potential to reduce enteric CH
4
emissions from grazing beef cattle.
Dynamics and mechanism of DNA repair by a bifunctional cryptochrome
Authors: Yan Luyao , Cao Xiaodan , Wang Lijuan , Chen Jie , Sancar Aziz , Zhong Dongping
Published: December 2024

Photolyase and cryptochrome belong to a group of structurally similar flavoproteins but with two distinct functions of DNA repair as a photoenzyme and signal transduction as a photoreceptor, respectively, under blue-light illumination. Here, we studied a recently discovered bifunctional
Chlamydomonas reinhardtii
cryptochrome (CraCRY) with focus on its repair of UV-induced pyrimidine-pyrimidone (6-4) photoproduct (6-4PP). We used femtosecond spectroscopy and site-directed mutagenesis to map out the critical elementary steps by following the dynamics of initial reactants, various intermediates, and final products. We observed initial direct ultrafast electron tunneling from the hydroquinone flavin cofactor to 6-4PP in 300 ps through an intervening adenine as a mediator, minimizing the electron bifurcation of a two-step hopping pathway bridged also by the adenine as an intermediate. The subsequent proton transfer (PT) from the neighboring histidine to anionic 6-4PP in 2 ns is critical and competes with the futile back electron transfer in 151 ps. Mutations of either of two histidines in the active site nearly abolish repair, indicating their essential role on repair reactivity and structural integrity. These results elucidate the electron-coupled PT mechanism and the repair photocycle of this bifunctional cryptochrome at the molecular level, further supporting that the hydroquinone flavin is the active state in vivo for dual functions or one of the two functions is excessive.
Improving the position accuracy via merged line and point features for GNSS/SINS/Vision integration in a degradation environment
Authors: Ye Tong , Liu Wanke , Hu Jie , Lei Weihao
Published: December 2024

In complex urban environments, the GNSS/INS integration diverges over time when severe GNSS degradation occurs due to the harsh environment. Based on visual point features, the visual-inertial odometry system has been integrated with the GNSS to solve this problem. However, the accuracy of this system decreases when the GNSS and visual point features degrade simultaneously in the GNSS harsh environments and low-texture scenes. The artificial structures in complex urban environments render line features more reliable than point features. To further improve the positioning accuracy of the point-based fusion system, we propose a GNSS/INS/Vision integration method based on point and line features, where visual measurements in a sliding window and the GNSS position are used to reduce or eliminate the cumulative errors of the IMU state in the back end. In addition, visual features are merged at the front end via an adaptive threshold based on the line feature length. Two urban infield experiments are used to evaluate the effectiveness of the proposed method through improvements in the time consumption of line feature matching and position accuracy. The analysis demonstrates that the average time consumption is reduced by 50.03% and 82.19%, and the maximum position error is reduced by 42.56% and 55.48%, respectively in the two scenarios. Additional evaluations based on KAIST Urban 38 public datasets indicate that our proposed system achieves a better positioning accuracy than that of VINS-Fusion, which is a state-of-the-art GNSS/INS/Vision integration system that uses only point features.