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This paper is dedicated to the quantum chemical package Jaguar, which is commercial software developed and distributed by Schrödinger, Inc. We discuss Jaguar's scientific features that are relevant to chemical research as well as describe those aspects of the program that are pertinent to the user interface, the organization of the computer code, and its maintenance and testing. Among the scientific topics that feature prominently in this paper are the quantum chemical methods grounded in the pseudospectral approach. A number of multistep workflows dependent on Jaguar are covered: prediction of protonation equilibria in aqueous solutions (particularly calculations of tautomeric stability and pKa), reactivity predictions based on automated transition state search, assembly of Boltzmann-averaged spectra such as vibrational and electronic circular dichroism, as well as nuclear magnetic resonance. Discussed also are quantum chemical calculations that are oriented toward materials science applications, in particular, prediction of properties of optoelectronic materials and organic semiconductors, and molecular catalyst design. The topic of treatment of conformations inevitably comes up in real world research projects and is considered as part of all the workflows mentioned above. In addition, we examine the role of machine learning methods in quantum chemical calculations performed by Jaguar, from auxiliary functions that return the approximate calculation runtime in a user interface, to prediction of actual molecular properties. The current work is second in a series of reviews of Jaguar, the first having been published more than ten years ago. Thus, this paper serves as a rare milestone on the path that is being traversed by Jaguar's development in more than thirty years of its existence. [ABSTRACT FROM AUTHOR]

There exists a controversy in the literature concerning the values of coercive and bias fields in antidots magnetic structures formed by a hexagonal network of nanoholes. The coercive fields (H C) and the exchange bias fields (∣ H E X C ∣) for antidots (deposited on ultrathin anodic aluminum oxide, namely, AAO) are either increased or diminished by comparison with the same magnetic nanostructures grown on continuous substrates (namely, CML). We propose to elucidate these debates by showing the importance of the easy axis of the magnetization, the direction of the applied magnetic field, the thicknesses of the layers, and the 3D-topology of nanoholes, as well as the magnetic and thermal history of the magnetic measurements. Here, biased Ta(5 nm)/Pt(5 nm)/Co(0.6 nm)/Fe 50 Mn 50 (X)/Ta(5 nm) antidots are investigated by extraordinary Hall effect measurements at 5 K, where X varies in the (0–5.5) nm range. The substrate consists in a hexagonal array of holes, described by the pair of (p , d) values, respectively, the period as the distance from center to center of two consecutive holes and the hole diameter. The dimensions of antidots are (p ≈ 100 and d ≈ 40 nm) for X = (2–5.5) nm, (p ≈ 150 and d ≈ 60 nm) for X = 3.5 nm, and (p ≈ 100 and d ≈ 60 nm) for X = 0. A continuous stack using Si/SiO 2 (100 nm) is used for comparison. H C and ∣ H E X C ∣ gradually increase when X is enhanced for both substrates, with nevertheless a weak decrease at high X for the continuous system. Perpendicular magnetic anisotropy is only observed for both unbiased samples, the X = 2 nm continuous sample, and both X = 5 nm samples that have undergone field cooling treatment from 500 to 5 K under − 2 T. Usually, H C (AAO) > --> H C (CML), ∣ H E X C (AAO) ∣ > -->∣ H E X C (CML) ∣ , and ∣ H A (AAO) ∣ <∣ H A (CML) ∣ (H A designating the anisotropy field). However, for certain conditions, as, for instance, for FC-procedures starting from high temperatures and/or strong magnetic field, other situations might be observed. A discussion pertaining to the amplitudes of H C , ∣ H E X C ∣ and the anisotropy field (∣ H A ∣) of continuous and discontinuous samples is given for our experimental results as well as for published data in the literature, in the light of structural characteristics (wedge-to-wedge distance, porosity, or coverage ratio). Such biased perpendicular antidots might be particularly used in specific nanomaterials devoted to spintronics. [ABSTRACT FROM AUTHOR]

Transition-metal and rare-earth borides are of considerable interest due to their electronic, mechanical, and magnetic properties as well as their structural stability under extreme conditions. Here, we report on a series of high-pressure Raman and x-ray diffraction experiments on the cubic rare-earth hexaboride EuB6 to an ultrahigh pressure of 187 GPa in a diamond anvil cell. In EuB6, divalent europium ions occupy the corners of the cubic structure, which encloses a rigid boron-bonded cage. So far, no structural phase transitions have been reported, while the nanoindentation studies indicate amorphization in nanoscale shear bands during plastic deformation. Our x-ray diffraction studies have revealed that the ambient cubic phase of EuB6 shows broadening and splitting of diffraction peaks starting at 72 GPa and the broadening continuing to 187 GPa. The high-pressure phase is recovered on decompression, and the Raman spectroscopy of the recovered sample from 187 GPa shows a downward frequency shift and broadening of T2g, Eg, and A1g modes of boron octahedron. The density functional theory simulations of EuB6 at 100 GPa have identified five possible lowest energy crystal structures. The experimental x-ray diffraction data at high pressures is compared with the theoretical predictions and the role of structural distortions induced by shear stresses is also discussed. [ABSTRACT FROM AUTHOR]

BACKGROUND: Photocatalysis is an efficient method for the removal of organic contaminants in wastewater. In this study, different magnetic photocatalysts for the degradation of organic compounds were prepared. RESULTS: Ti/C/Fe photocatalysts were prepared by supporting TiO2 (20, 40 and 60% w/w) on a carbon/iron oxide (C/Fe) magnetic carrier. Characterization via Raman spectroscopy, X‐ray diffractometry, thermal analysis, X‐ray fluorescence, scanning electron microscopy and energy‐dispersive X‐ray spectroscopy/elemental mapping and magnetic property analysis by vibrating‐sample magnetometry confirmed the presence of TiO2, Fe3O4, Fe3C and char in the photocatalysts as well as their magnetic properties. The results of specific surface area analysis showed that the C/Fe support had a surface area of 183 m2 g−1 and that this area decreased with an increasing amount of supported TiO2, reaching up to 129 m2 g−1. Diffuse reflectance spectroscopy characterization revealed that the bandgap values obtained for the photocatalysts (Ti/C/Fe) were lower than 3.2 eV. The prepared photocatalysts showed high efficiency in degrading the contaminants Remazol Black (RB5) (99%), paracetamol (77%) and phenol (90%). Recovery and reuse experiments using RB5 showed that after the fourth reaction, the photocatalytic efficiency was reduced by 50%, and the recovery reached up to 70%. Sedimentation kinetics showed that while only 6% of the TiO2 was deposited, up to 89% of the photocatalysts were deposited. CONCLUSIONS: These results indicate that the photocatalysts showed excellent photocatalytic efficiency for different contaminants and can be easily and quickly separated from the reaction medium by magnetic separation. © 2024 Society of Chemical Industry (SCI). [ABSTRACT FROM AUTHOR]

β-Gallium oxide has well-studied electrical characteristics but relatively less explored optical as well as magnetic properties. In this work, pure and Ni-doped β-Ga2O3 polycrystalline powders were prepared using a hydrothermal method to study the structural, optical, and magnetic properties at various concentrations of Ni at 1 M%, 3 M%, 5 M%, and 7 M%. XRD analysis confirmed the formation of monoclinic β-Ga2O3 up to Ni 1 M% doping. The formation of additional peaks was observed exclusively for the samples doped with Ni from 3 M% to 7 M%. These additional peaks belong to NiGa2O4 that has an inverse spinel structure. The reflectance studies using UV–Vis diffuse reflectance spectroscopy shows a reduction in bandgap from approximately 4.7 eV to 4.1 eV with the addition of the dopant. The emission peaks observed from photoluminescence studies shows UV, blue, and green emissions with varying intensity. Room-temperature magnetic studies performed using a vibrating sample magnetometer showed a transition from the diamagnetic state of the pure sample to the antiferromagnetic state with increasing Ni concentration in the doped samples. The diamagnetic properties of β-Ga2O3 makes it ineffective in spintronic applications. From the present work, the improved magnetism due to Ni doping coupled with the optical properties suggests that nickel-doped gallium oxide can be used as an optical magnetic bifunctional material. [ABSTRACT FROM AUTHOR]

Featured Application: A novel active range while drilling method, based on the drilling well, with dual-electrode current excitation, is proposed. The range while drilling model utilizing dual-electrode current excitation is established, and the calculation methods for the current amplitude of the casing and the formation-induced magnetic field distribution are derived. The accuracy and effectiveness of this approach are validated through numerical calculations and simulation analyses of the impact of each key factor. It is particularly appropriate for targeted well ranging operations that entail safety risks, especially in the relief well connectivity operations at space-constrained drilling platforms. Based on a comprehensive analysis of the existing methods for measuring adjacent well distances, along with their advantages and disadvantages, this study employs theoretical analysis, simulation experiments, and other comprehensive research methods to investigate a distance measurement method based on current excitation. In response to the need for measuring and controlling the connection of relief wells, a method utilizing dual-electrode current excitation during drilling is proposed. This approach facilitates synchronous excitation measurements while drilling, significantly reducing both time and costs while ensuring safety and efficiency, making it particularly suitable for the connection operation of relief wells that involve safety risks. Firstly, this paper establishes a drilling with measurement model corresponding to the excitation mode, which derives the calculation formulas for the target casing current amplitude attenuation, as well as the induced magnetic field distribution within the formation. Additionally, it provides the calculation methods for determining the target well distance and azimuth direction. Lastly, the impact levels of various key factors are verified through numerical calculations and simulation analyses, which confirm the correctness and effectiveness of this distance measurement method. The findings from this research establish both a core theoretical foundation and a technological basis for the real-time measurement of adjacent well distances during relief well operations. [ABSTRACT FROM AUTHOR]

ABSTRACT The present study investigates the interaction between a proton‐electron plasma beam and an arched magnetic trap using the particle‐in‐cell (PIC) simulation method. The results show that when the magnetic field is sufficiently weak, the beam disrupts the arched magnetic field configuration, causing the breaking and reconnection of magnetic field lines. The relationships between the coil current threshold (the coil current at which the disruption of the magnetic induction just happens) and initial plasma velocity, and between the critical beam velocity (the plasma is just enough to reach the arched magnetic field) and coil current, are quantified. Additionally, the interaction between the beam and the arched magnetic field is observed to induce microwave excitation. These findings lay the foundation for theoretically simulating the dynamic behavior of space plasma in a unique magnetic field environment within a laboratory setting. [ABSTRACT FROM AUTHOR]

The 2D code developed by the authors for calculating the penetration of neutral particles from the chamber wall to the center of the plasma created and confined in the L-2M stellarator has been verified. In the range of operating plasma densities (1 × 1019 m–3 < ne < 3 × 1019 m–3), good agreement with the results of calculations performed using the ASTRA code has been obtained. The 3D and 4D simulations of the penetration of neutral particles from the chamber wall to the central plasma region have been performed. It has been shown that the 2D simulations overestimate the concentration of neutral particles in the plasma central region, as compared to the 3D and 4D models, which use ion velocity distributions closer to the real one. [ABSTRACT FROM AUTHOR]

Fano resonance (FR) and the triggered nonreciprocal thermal radiation (NTR) in a Weyl semimetal (WSM)‐ incorporated Kretschmann configuration has been observed and analyzed. Employing the anisotropic permittivity tensor, the electromagnetic responses of the proposed layered structure have been studied, and we illustrate that FR and strong nonreciprocity is attributed to the coupling between the planar waveguide mode and surface plasmon polaritons in WSM. It is shown that absorptivity (α) is not consistent with emissivity (e) in the considered angular range, which confirms near‐complete violation of Kirchhoff's law with nonmagnetic WSM. To analyze the physical origin of NTR, we performed numerical calculations for the α, e, nonreciprocity (η), as well as the magnetic field inside each layer. The compre‐hensive investigation of η with regard to geometric parameters suggests great potential for the practical use of perfect absorption and NTR over a wide range of frequencies and layer thicknesses. [ABSTRACT FROM AUTHOR]

Objective: To retrospectively evaluate the long-term outcomes after percutaneous cryoablation of abdominal wall endometriosis (AWE). Method: The Institutional Review Board approved this retrospective observational review of 40 consecutive patients, of a median age of 37 years (interquartile range [IQR] 32–40 years), presenting with a total of 52 symptomatic AWE nodules. All patients underwent cryoablation between January 2013 and May 2022 with a minimum follow-up period of 12 months. Outcomes were assessed using a visual analog scale (VAS) that measured pain, as well as by magnetic resonance imaging (MRI). The pain-free survival rates were derived using the Kaplan–Meier estimator. Adverse events were analyzed and graded using the classification system of the Cardiovascular and Interventional Radiological Society of Europe. Results: The median follow-up time was 40.5 months (IQR 26.5–47.2 months). The median VAS score before cryoablation was 8 (IQR 7–9). Complete relief of symptoms was documented in 80% (32/40) of patients at 3 months after initial cryoablation and correlated with the absence of residual endometriosis nodules on MRI. The median pain-free survival rates were 89.2% [95% CI, 70.1–96.4%] at 36 months and 76.8% [95% CI, 55.3–83.8%] after 60 months. No patient or lesion characteristics were found to be prognostic of failure. No major adverse events or side effects were reported in long term. Conclusion: Cryoablation safely and effectively afforded long-term pain relief for patients with AWE nodules. Clinical relevance statement: AWE cryoablation was found to be safe and effective in the long-term. Key Points: • Cryoablation is highly effective with 80% of patients experiencing complete relief of AWE symptoms after a single procedure. • Cryoablation is safe without long-term adverse events or side effects. • The median pain-free survival rates are 89.2% at 36 months and 76.8% at 60 months. [ABSTRACT FROM AUTHOR]

The magnetic separation and cleaning module, as a core component of the fully automated chemiluminescence immunoassay (CLIA) analyzer, encounters issues including high magnetic bead loss rate, long cleaning time, and poor cleaning effect. Based on a simulation analysis using COMSOL, we proposed a novel magnetic separation and cleaning module applied to a fully automated CLIA analyzer. The module adopted a method of arranging spliced rectangular magnets on opposite sides, where the same polarity faced each other, as well as a three-stage magnetic bead collection method. With the proposed method, the total cleaning process can be accomplished within 225 s; the total magnetic bead loss rate over three rounds of cleaning is 6.03%, whereas that of traditional instruments is 25.85%; the coefficient of variation (CV) of the magnetic bead loss rate is less than 0.5%; effective cleaning of free markers is achieved under various sample conditions. Compared with traditional CLIA instruments, this method comprehensively improves key performance indicators of the magnetic separation and cleaning module, providing a reference for similar modules in fully automated CLIA analyzers and positively impacting the accuracy of CLIA for the detection of disease biomarkers. [ABSTRACT FROM AUTHOR]

Context. The extent of the coupling between the magnetic field and the gas during the collapsing phase of star-forming cores is strongly affected by the dust size distribution, which is expected to evolve by means of coagulation, fragmentation, and other collision outcomes. Aims. We aim to investigate the influence of key parameters on the evolution of the dust distribution, as well as on the magnetic resistivities during protostellar collapse. Methods. We performed a set of collapsing single-zone simulations with shark. The code computes the evolution of the dust distribution, accounting for different grain growth and destruction processes, with the grain collisions being driven by brownian motion, turbulence, and ambipolar drift. It also computes the charges carried by each grain species and the ion and electron densities, as well as the magnetic resistivities. Results. We find that the dust distribution significantly evolves during the protostellar collapse, shaping the magnetic resistivities. The peak size of the distribution, population of small grains, and, consequently, the magnetic resistivities are controlled by both coagulation and fragmentation rates. Under standard assumptions, the small grains coagulate very early as they collide by ambipolar drift, yielding magnetic resistivities that are many orders of magnitude apart from the non-evolving dust case. In particular, the ambipolar resistivity, ηAD, is very high prior to nH = 1010 cm−3. As a consequence, magnetic braking is expected to be ineffective. In this case, large size protoplanetary discs should result, which is inconsistent with recent observations. To alleviate this tension, we identified mechanisms that are capable of reducing the ambipolar resistivity during the ensuing protostellar collapse. Among them, electrostatic repulsion and grain-grain erosion feature as the most promising approaches. Conclusions. The evolution of the magnetic resistivities during the protostellar collapse and consequently the shape of the magnetic field in the early life of the protoplanetary disc strongly depends on the possibility to repopulate the small grains or to prevent their early coagulation. Therefore, it is crucial to better constrain the collision outcomes and the dust grain's elastic properties, especially the grain's surface energy based on both theoretical and experimental approaches. [ABSTRACT FROM AUTHOR]

Controlled manipulation of microscale robotic devices in complex fluidic networks is critical for various applications in biomedical endovascular sensing, lab-on-chip biochemical assays, and environmental monitoring. However, achieving controlled transport and active retention of microscale robots with flow sensing capability has proven to be challenging. Here, we report the dynamic tweezing of an anisotropic magnetic microrobot in a rotating magnetic trap for active retention and localized flow sensing under confined fluidic conditions. We reveal a series of unconventional motion modes and the dynamics of the microrobot transporting in a confined fluidic flow, which manifest themselves as transitions from on-trap centre rolling to large-area revolution and off-trap centre rolling with varying rotating frequencies. By retaining the robot within the magnetic trap and its motion modulated by the field frequency, the offcentre rolling of the microrobot endows it with crucial localized flow sensing capabilities, including flow rate and flow direction determination. The magnetic microrobot serves as a mobile platform for measuring the flow profile along a curved channel, mimicking a blood vessel. Our findings unlock a new strategy to determine the local magnetic tweezing force profile and flow conditions in arbitrary flow channels, revealing strong potential for microfluidics, chemical reactors, and in vivo endovascular flow measurement. [ABSTRACT FROM AUTHOR]

Ion cyclotron resonance heating is considered as one of the methods of additional heating of plasma and production of the non-inductive current in the T-15MD tokamak. To transfer the maximum power to the plasma, it is needed to know impedance of an antenna–plasma system, to match it with impedance of an RF power generator and its transmission line. The work is devoted to the development of a code for the calculation of antenna impedance of the ICR heating system of plasma in toroidal magnetic traps. To find impedance of the antenna–plasma system in the simplified geometry of antenna consisting of conductive plates, the wave equation is solved in the "cold" plasma approximation, and the spectrum of the RF power emitted by antenna is calculated. The dependences of the impedance of the antenna–plasma system on distances between antenna and the Faraday screen and between the Faraday screen and the plasma are obtained for the geometry of the T-15MD tokamak. Two-dimensional distribution of electric field of a wave in the plasma is obtained. [ABSTRACT FROM AUTHOR]

The exhaust gas recirculation (EGR) valve plays an important role in improving engine fuel economy and reducing emissions. In order to improve the positioning accuracy and robustness of the EGR valve under uncertain dynamics and external disturbances, this paper proposes a positioning servo system design for an electromotive (EM) EGR valve based on the Kalman filter. Taking a novel valve driven by a central winding limited angle torque motor (LATM) as the object, we have fully considered the influence of the motor rotor position and load current, as well as the magnetic field saturation and cogging effect, improved the existing LTAM model, and derived accurate torque expression. The parameter uncertainty of the above internal model and the external stochastic disturbance were unified as "total disturbance", and a Kalman filter-based observer was designed for disturbance estimations and real-time feed-forward compensation. Furthermore, using non-contact magnetic angle measurements to obtain accurate valve position information, a position control model with real-time response and high accuracy was established. Numerous simulated and experimental data show that in the presence of ± 25% plant model parameter fluctuations and random shock-type disturbances, the servo system scheme proposed in this paper achieves a maximum position deviation of 0.3 mm, a repeatability of positioning accuracy after disturbances of 0.01 mm, and a disturbance recovery time of not more than 250 ms. In addition, the above performance is insensitive to the duration of the disturbance, which demonstrates the strong robustness, high accuracy, and excellent dynamic response capability of the proposed design. [ABSTRACT FROM AUTHOR]

The influence of modernized three-electrode ion-plasma sputtering of a complex Fe–Si–B– (Cu, Nb)/(Ni, Mo) target on the structure and properties of sputtered films was studied. The formation of amorphous and nanocrystalline phases in Fe73Si15.8B7.2-(Cu, Nb)4 and Fe78.5Si6B14-(Ni, Mo)1.5 films with a coherent scattering region size of 1.6 nm and 12 nm, respectively, was established as a result of a modernized three-electrode ion - plasma sputtering. The thermal stability of metastable states of films as well as electrical and magnetic properties of freshly prepared and heat-treated films has been investigated. The conditions for obtaining films with low values of the temperature coefficient of electrical resistance (−0.9∙10−5 K−1) and coercive force (HC ∼11 A/m) have been determined. [ABSTRACT FROM AUTHOR]

This paper reports on advanced instrumentation for high pressure research developed for the ESRF beamline ID12 which is dedicated to polarization-dependent X-ray absorption spectroscopy at photon energies from 2 to 15 keV. Emphasis is laid on X-ray optics, the design of diamond anvil cell adapted for tender X-ray range and compatible with low temperatures and with high magnetic field as well as a highly efficient X-ray fluorescence detection system. Several examples have been selected to illustrate the performance of the beamline and show what type of advanced spectroscopic techniques can be used to study the local electronic and magnetic properties of materials under pressure. [ABSTRACT FROM AUTHOR]

The absorption characteristics of cylindrical surface plasmon resonance (CSPR) have been studied. We demonstrated that a single plasma column with CSPRs can achieve high absorptivity at the plasmon frequency. We also studied the effects of plasma density and collision frequency on the absorptivity. As both of them increase, the corresponding absorptivity tends to increase first and then decrease, but with different reasons. Such manifestation is explained by analyzing transmission and reflection spectra in both cases, as well as magnetic field distribution patterns at the frequency of plasmon. On the one hand, the increase in plasma density leads to the enhancement of plasmons, improving transmittance; On the other hand, the increase in collision frequency leads to a weakening of plasmons and an increase in reflectivity. Finally, we investigated the absorption characteristics of plasmons in the plasma photonic crystals (PPCs) structure and overcame the absorption attenuation caused by the increase in plasma density by increasing the number of plasma columns. Meanwhile, the absorption generated by surface plasmon resonance is not affected by the lattice constant of PPCs. The research has shown that efficient absorption can be achieved using CSPR, resulting in extremely high absorptivity when using fewer plasma columns. Finally, we verified the absorption ability of CSPRs through experiments. [ABSTRACT FROM AUTHOR]

Cd0.4Zn0.6S:r-GO composite thin film semiconductor is prepared by the process of layer by layer deposition of cadmium zinc sulphide (Cd0.4Zn0.6S) and reduced graphene oxide (r-GO) on Si-substrate by DIP-coating technique. In this process, initially, aqueous solution of Cd0.4Zn0.6S is deposited on Si-substrate (Cd0.4Zn0.6S/Si) and baked at 500°C temperature, then, aqueous solution of r-GO is deposited on (Cd0.4Zn0.6S/Si) and baked at the same temperature to fabricate (r-GO/Cd0.4Zn0.6S/Si) composite thin film semiconductors. Structural/electronic/electrical/magnetic properties of (Cd0.4Zn0.6S:r-GO)/Si composite thin film semiconductor is enhanced in the vicinity of interfacial defects, impurities, density of states with exchange of metallic/non-metallic ions (Cd2+/Zn2+)/(S2−, SO32−) along with the incorporation of different O-functional radicals that immigrate from r-GO. It is expected that the Cd0.4Zn0.6S:r-GO composite thin film semiconductor is capable of providing future promising optoelectronic as well as magnetic device-based applications. [ABSTRACT FROM AUTHOR]

Reactive single-step hot-pressing at 1473 K and 35 MPa for 4 h produces dense, bulk, near single-phase, low-cost, and low-criticality Fe2Al1.15B2 and Fe2Al1.1B2Ge0.05Ga0.05 MAB samples, showing second-order magnetic phase transition with favorable magnetocaloric properties around room temperature. The magnetic as well as the magnetocaloric properties can be tailored upon Ge and Ga doping, leading to an increase in the Curie temperature T C and the spontaneous magnetization m S. The maximum isothermal entropy change Δ s T , m a x of hot-pressed Fe2Al1.15B2 in magnetic field changes of 2 and 5 T amounts to 2.5 and 5 J(kgK)−1 at 287.5 K and increases by Ge and Ga addition to 3.1 and 6.2 J(kgK)−1 at 306.5 K, respectively. The directly measured maximum adiabatic temperature change Δ T a d , m a x is improved by composition modification from 0.9 to 1.1 K in magnetic field changes of 1.93 T. Overall, we demonstrate that hot-pressing provides a much faster, more scalable, and processing costs reducing alternative compared to conventional synthesis routes to produce heat exchangers for magnetic cooling devices. Therefore, our criticality assessment shows that hot-pressed Fe-based MAB phases provide a promising compromise of material and processing costs, criticality, and magnetocaloric performance, demonstrating the potential for low-cost and low-criticality magnetocaloric applications around room temperature. [ABSTRACT FROM AUTHOR]

Background: Identification of lung cancer subtypes is critical for successful treatment in patients, especially those in advanced stages. Many advanced and personal treatments require knowledge of specific mutations, as well as up- and down-regulations of genes, for effective targeting of the cancer cells. While many studies focus on individual cell structures and delve deeper into gene sequencing, the present study proposes a machine learning method for lung cancer classification based on low-magnification cancer outgrowth patterns in a 2D co-culture environment. Methods: Using a magnetic well plate holder, circular pattern lung cancer cell clusters were generated among fibroblasts, and daily images were captured to monitor cancer outgrowth over a 9-day period. These outgrowth images were then augmented and used to train a convolutional neural network (CNN) model based on the lightweight TinyVGG architecture. The model was trained with pairs of classes representing three subtypes of NSCLC: A549 (adenocarcinoma), H520 (squamous cell carcinoma), and H460 (large cell carcinoma). The objective was to assess whether this lightweight machine learning model could accurately classify the three lung cancer cell lines at different stages of cancer outgrowth. Additionally, cancer outgrowth images of two patient-derived lung cancer cells, one with the KRAS oncogene and the other with the EGFR oncogene, were captured and classified using the CNN model. This demonstration aimed to investigate the translational potential of machine learning-enabled lung cancer classification. Results: The lightweight CNN model achieved over 93% classification accuracy at 1 day of outgrowth among A549, H460, and H520, and reached 100% classification accuracy at 7 days of outgrowth. Additionally, the model achieved 100% classification accuracy at 4 days for patient-derived lung cancer cells. Although these cells are classified as Adenocarcinoma, their outgrowth patterns vary depending on their oncogene expressions (KRAS or EGFR). Conclusions: These results demonstrate that the lightweight CNN architecture, operating locally on a laptop without network or cloud connectivity, can effectively create a machine learning-enabled model capable of accurately classifying lung cancer cell subtypes, including those derived from patients, based upon their outgrowth patterns in the presence of surrounding fibroblasts. This advancement underscores the potential of machine learning to enhance early lung cancer subtyping, offering promising avenues for improving treatment outcomes in advanced stage-patients. [ABSTRACT FROM AUTHOR]

Chiral fluids – such as fluids under rotation or a magnetic field as well as synthetic and biological active fluids – flow in a different way than ordinary ones. Due to symmetries broken at the microscopic level, chiral fluids may have asymmetric stress and viscosity tensors, for example giving rise to a hydrostatic torque or non-dissipative (odd) and parity-violating viscosities. In this article, we investigate the motion of rigid bodies in such an anisotropic fluid in the incompressible Stokes regime through the mobility matrix, which encodes the response of a solid body to forces and torques. We demonstrate how the form of the mobility matrix, which is usually determined by particle geometry, can be analogously controlled by the symmetries of the fluid. By computing the mobility matrix for simple shapes in a three-dimensional (3-D) anisotropic chiral fluid, we predict counterintuitive phenomena such as motion at an angle to the direction of applied forces and spinning under the force of gravity. [ABSTRACT FROM AUTHOR]

The paper presents experimental results from the SMOLA device, which was built in the Budker Institute of Nuclear Physics for the verification of the helical mirror confinement idea. This concept involves active control of axial losses from the confinement zone in an open magnetic trap through the use of multiple mirrors that move in the plasma frame of reference. The discussed experiments focused on determining the cumulative effect of a helical mirror system in combination with a short segment of a stronger magnetic field. Combination of these two methods of axial flow suppression results in higher efficiency compared with each method individually. Different combinations of the mirrors were tested. The most effective flow suppression was observed if the short mirror was placed between the confinement region and the helical mirror. In this configuration, an effective mirror ratio of $R_{{\rm eff}} = 32.6\pm 7.8$ was achieved, along with a more than three-fold increase in plasma density within the confinement region. The possibility of a cumulative effect of different types of magnetic mirrors offers a way to improve the confinement performance of the reactor-grade mirror confinement devices. [ABSTRACT FROM AUTHOR]

The paper gives a systematic presentation of the Wigner function method (Weyl formalism) for modeling the propagation and absorption of electromagnetic waves in anisotropic and gyrotropic dissipative media with spatial dispersion. A general kinetic equation for the Wigner function (tensor) is formulated, and its asymptotic expansion up to the second order for smoothly inhomogeneous and weakly dissipative media is constructed. As a result, a modification of the method of the kinetic equation for rays is proposed, based on the stochastic description of rays, making it possible to increase the accuracy of numerical modeling of wave problems with strong transverse inhomogeneity of the absorption coefficient without increasing the amount of calculations. The technique developed can be used to describe the propagation, absorption, and scattering of electron-cyclotron waves in high-temperature plasma of magnetic traps for controlled fusion in cases where standard modeling methods do not provide the necessary accuracy. [ABSTRACT FROM AUTHOR]

Zn‐substituted iron oxide nanoparticles of ≈5 nm in diameter are synthetized by a microwave‐assisted thermal decomposition method. The addition of ethylene glycol results in a size increase to 22 nm. Cationic disorder has been observed by electron energy loss spectroscopy–scanning transmission electron microscopy. Using Mössbauer spectrometry combined with Rietveld analysis, the complete cationic and vacancies repartition in the lattice is determined, as well as the canting of magnetic moments. This allows the magnetic moment to be calculated, in good agreement with that measured. The alternating current magnetic susceptibility is modeled by the Néel–Brown and the Coffey models, showing some discrepancy between these two approaches which is discussed. The largest particles show a complex morphology involving an oriented attachment mechanism of smaller units. Their cationic disorder and internal porosity have been evidenced and quantified, and the work shows that despite these defects they behave rather as magnetically blocked nanoparticles. [ABSTRACT FROM AUTHOR]

Evaluating irreducible water saturation is crucial for estimating reservoir capacity and developing effective extraction strategies. Traditional methods for predicting irreducible water saturation are limited by their reliance on specific logging data, which affects accuracy and applicability. This study introduces a predictive method based on fractal theory and deep learning for assessing irreducible water saturation in complex carbonate reservoirs. Utilizing the Mishrif Formation of the Halfaya oilfield as a case study, a new evaluation model was developed using the nuclear magnetic resonance (NMR) fractal permeability model and validated with surface NMR and mercury injection capillary pressure (MICP) data. The relationship between the logarithm mean of the transverse relaxation time (T2lm) and physical properties was explored through fractal theory and the Thomeer Function. This relationship was integrated with conventional logging curves and an advanced deep learning algorithm to construct a T2lm prediction model, offering a robust data foundation for irreducible water saturation evaluation. The results show that the new method is applicable to wells with and without specialized NMR logging data. For the Mishrif Formation, the predicted irreducible water saturation achieved a coefficient of determination of 0.943 compared to core results, with a mean absolute error of 2.37% and a mean relative error of 8.46%. Despite introducing additional errors with inverted T2lm curves, it remains within acceptable limits. Compared to traditional methods, this approach provides enhanced predictive accuracy and broader applicability. [ABSTRACT FROM AUTHOR]

SUMMARY: The solution of the remote reference method, a frequently used technique in magnetotelluric (MT) data processing, can be viewed as a product of the two-input–multiple-output relationship between the local electromagnetic field and the reference field at a remote station. By applying a robust estimator to the two-input–multiple-output system, one can suppress the influence of outliers in the local magnetic field as well as those in the local electric field based on regression residuals. Therefore, this study develops a new robust remote reference estimator with the aid of robust multivariate linear regression. By applying the robust multivariate regression S-estimator to the multiple-output system, the present work derives a set of equations for robust estimates of the transfer function, noise variances, and the scale of the Mahalanobis distance simultaneously. The noise variances are necessary for the multivariate analysis to normalize the residuals of dependent variables. The Mahalanobis distance, a distance measure for multivariate data, is a commonly used indicator of outliers in multivariate statistics. By updating those robust estimates iteratively, the new robust remote reference estimator seeks the transfer function that minimizes the robust scale estimate of the Mahalanobis distance. The developed estimator can avoid bias in the MT transfer function even if there are significant noises in the reference magnetic field and handle outlying data more robustly than previously proposed robust remote reference estimators. The authors applied the developed method to a synthetic data set and real-world data. The test results demonstrate that the developed method downweights outliers in the local electric and magnetic fields and gives an unbiased transfer function. [ABSTRACT FROM AUTHOR]

Quantum thermal engines have received much attention in recent years due to their potential applications. For a candidate group, harmonically trapped gases under Bose–Einstein condensation (BEC), we see little investigation on the energy transference around that transition. Therefore, we present an empirical study with rubidium-87 gas samples in a magnetic harmonic trap. We developed an empirical equation of state model to fit to our experimental dataset, expressing the pressure parameter in terms of temperature, and six technical coefficients, functions of the volume parameter and the number of atoms. By using standard thermodynamic relations, we determine the system's entropy, shown to be constant at the BEC transition, as expected. Being isentropic makes the BEC transition an energy source for non-mechanical work. Hence, we observed that the enthalpy at the BEC transition, at fixed values of the volume parameter, grows fairly linearly with the number of atoms. We fitted a linear function to that data, finding the specific enthalpy of the BEC transformation and the intrinsic enthalpic loss for BEC. We deem this study to be a step closer to practical quantum-based engines. [ABSTRACT FROM AUTHOR]

This paper introduces the prototype design, magnetic field analysis and experimental test of a double-rotating ferrofluid vane micropump with an embedded fixed magnet. The micropump is based on the working principle of a positive-displacement pump, as well as the magnetic characteristics and flow properties of magnetic fluid. Through the numerical analysis of the pump cavity magnetic field and the experimental test, the structural parameters of the micropump are optimized reasonably. The pumping flow and pumping height of the micropump were characterized at different driving speeds. The maximum pumping flow rate is approximately 410 μL/min, and the maximum pumping height is approximately 111.4 mm water column. The micropump retains the advantages of simple structure, easy manufacture, flexible control, self-sealing, self-lubrication, low heat production, etc., and can block the pumped liquid backflow. The resulting double-rotating ferrofluid blades can improve pumping efficiency and pumping capacity, and can improve pumping reliability and stability to a certain extent. [ABSTRACT FROM AUTHOR]

Because the electron transport mechanism in graphene is heavily impacted by the strain and the ferromagnetic metal stripe as well as several other avenues, in this paper we investigate the effects of the strained barrier induced by the strain and the magnetic field generated by the ferromagnetic metal stripe on the valley polarization through numerical calculation. When the strength and the width of the strained barrier as well as the magnitude of the magnetic field are changed, the rapid variation of the valley polarization is observed. This study will be helpful for devising and manufacturing new-style valleytronic devices. [ABSTRACT FROM AUTHOR]

Microscale robotics has emerged as a transformative field, offering unparalleled opportunities for innovation and advancement in various fields. Owing to the distinctive benefits of wireless operation and a heightened level of safety, magnetic actuation has emerged as a widely adopted technique in the field of microrobotics. However, factors such as Brownian motion, fluid dynamic flows, and various nonlinear forces introduce uncertainties in the motion of micro/nanoscale robots, making it challenging to achieve precise navigational control in complex environments. This paper presents an extensive review encompassing the trajectory from theoretical foundations of the generation and modeling of magnetic fields as well as magnetic field-actuation modeling to motion control methods of magnetic microrobots. We introduce traditional control methods and the learning-based control approaches for robotic systems at the micro/nanoscale, and then these methods are compared. Unlike the conventional navigation methods based on precise mathematical models, the learning-based control and navigation approaches can directly learn control signals for the actuation systems from data and without relying on precise models. This endows the micro/nanorobots with high adaptability to dynamic and complex environments whose models are difficult/impossible to obtain. We hope that this review can provide insights and guidance for researchers interested in automated magnetic microrobot control. [ABSTRACT FROM AUTHOR]

The spread of micro- (MPs) and nanoplastics (NPs) in the environment has become a significant environmental concern, necessitating effective removal strategies. In this comprehensive scientific review, we examine the use of magnetic nanoparticles (MNPs) as a promising technology for the removal of MPs and NPs from water. We first describe the issues of MPs and NPs and their impact on the environment and human health. Then, the fundamental principles of using MNPs for the removal of these pollutants will be presented, emphasizing that MNPs enable the selective binding and separation of MPs and NPs from water sources. Furthermore, we provide a short summary of various types of MNPs that have proven effective in the removal of MPs and NPs. These include ferromagnetic nanoparticles and MNPs coated with organic polymers, as well as nanocomposites and magnetic nanostructures. We also review their properties, such as magnetic saturation, size, shape, surface functionalization, and stability, and their influence on removal efficiency. Next, we describe different methods of utilizing MNPs for the removal of MPs and NPs. We discuss their advantages, limitations, and potential for further development in detail. In the final part of the review, we provide an overview of the existing studies and results demonstrating the effectiveness of using MNPs for the removal of MPs and NPs from water. We also address the challenges that need to be overcome, such as nanoparticle optimization, process scalability, and the removal and recycling of nanoparticles after the completion of the process. This comprehensive scientific review offers extensive insights into the use of MNPs for the removal of MPs and NPs from water. With improved understanding and the development of advanced materials and methods, this technology can play a crucial role in addressing the issues of MPs and NPs and preserving a clean and healthy environment. The novelty of this review article is the emphasis on MNPs for the removal of MPs and NPs from water and a detailed review of the advantages and disadvantages of various MNPs for the mentioned application. Additionally, a review of a large number of publications in this field is provided. [ABSTRACT FROM AUTHOR]

Atomically precise nanoclusters hold promise for supramolecular assembly and (opto)electronic‐ as well as magnetic materials. Herein, this work reports that treating palladium(0) precursors with a triphosphirane affords strongly colored Pd8(PDip)6 that is fully characterized by mass spectrometry, heteronuclear and Cross‐Polarization Magic‐Angle Spinning (CP‐MAS) NMR‐, infrared (IR), UV–vis, and X‐ray photoelectron (XP) spectroscopies, single‐crystal X‐Ray diffraction (sc‐XRD), mass spectrometry, and cyclovoltammetry (CV). This coordinatively unsaturated 104‐electron Pd(0) cluster features a cubic Pd8‐core, µ4‐capping phosphinidene ligands, and is air‐stable. Quantum chemical calculations provide insight to the cluster's electronic structure and suggest 5s/4d orbital mixing as well as minor Pd─P covalency. Trapping experiments reveal that cluster growth proceeds via insertion of Pd(0) into the triphosphirane. The unsaturated cluster senses ethylene and binds isocyanides, which triggers the rearrangement to a tetrahedral structure with a reduced frontier orbital energy gap. These experiments demonstrate facile cluster manipulation and highlight non‐destructive cluster rearrangement as is required for supramolecular assembly. [ABSTRACT FROM AUTHOR]

Conventional magnetophoresis techniques for manipulating biocarriers and cells predominantly rely on large‐scale electromagnetic systems, which is a major obstacle to the development of portable and miniaturized cell‐on‐chip platforms. Herein, a novel magnetic engineering approach by tailoring a nanoscale notch on a disk micromagnet using two‐step optical and thermal lithography is developed. Versatile manipulations are demonstrated, such as separation and trapping, of carriers and cells by mediating changes in the magnetic domain structure and discontinuous movement of magnetic energy wells around the circumferential edge of the micromagnet caused by a locally fabricated nano‐notch in a low magnetic field system. The motion of the magnetic energy well is regulated by the configuration of the nanoscale notch and the strength and frequency of the magnetic field, accompanying the jump motion of the carriers. The proposed concepts demonstrate that multiple carriers and cells can be manipulated and sorted using optimized nanoscale multi‐notch gates for a portable magnetophoretic system. This highlights the potential for developing cost‐effective point‐of‐care testing and lab‐on‐chip systems for various single‐cell‐level diagnoses and analyses. [ABSTRACT FROM AUTHOR]

The absorption cross-section of Mössbauer radiation in magnetic liquids is calculated, taking into consideration both translational and rotational Brownian motion of magnetic nanoparticles as well as stochastic reversals of their magnetization in the absence of an external magnetic field. The role of Brownian motion in ferrofluids is considered in the framework of the diffusion theory, while for the magnetorheological fluids with large nanoparticles, it is done with the aid of Langevin’s approach. For stochastic rotation, we derived the equation analogous to Langevin’s one and found the corresponding correlation function. In both cases, simple rotational correlation functions are obtained in the approximation of small rotations during the lifetime of the excited Mössbauer nuclei. Influence of the Néel’s relaxations is considered in the framework of the Blume - Tjon model. [ABSTRACT FROM AUTHOR]

Generalized gradient approximation with Hubbard potential (GGA + U) within the framework of density functional theory (DFT), the structural and electronic properties, as well as the magnetic ordering of the quadruple perovskites Y2CuGaTM4O12 (TM = Mn and Fe), are studied. Formation energy indicates that Y2CuGaMn4O12 is more stable than the Y2CuGaFe4O12 and the estimated structural parameters are in good accordance with the experiment. The optimized magnetic energy curves show that these compounds have a type I ferrimagnetic order. According to the Heisenberg model, strong long-range Mn+3–O2−–Cu2+–O2−–Mn+3 interactions are mediated by a super exchange mechanism. The susceptibility data shows that these compounds undergo multiple magnetic transitions due to different magnetic interactions (J1 (Cu+2–Cu+2), J2 (Cu+2–Mn+3), and J3 (Mn+3–Mn+3)). The electronic band profiles and density of states shows the half-metallic character of these compounds and Mn d electrons are responsible for their half-metallic nature. Beside this Mn d state electrons are also responsible for magnetism with addition of Cu atoms instead of Ga. DFT and the Heisenberg model's estimated results are confirmed by magnetic susceptibility. These compounds are anticipated to be appropriate for spintronic applications due to their ferrimagnetic nature and high spin polarization near the Fermi level. [ABSTRACT FROM AUTHOR]

In the present study, we elucidate the behaviour of a suspension composed of magnetic disk-like particles that flow in a Hagen-Poiseuille flow in a gradient magnetic field and the trapping characteristics of the magnetic particles. To this end, we utilise multiple pairs of magnetic poles located outside the cylindrical system. Brownian dynamics simulations were performed in order to clarify the dependence of these characteristics on a variety of factors. It is seen that an increase in the magnetic field strength improves the trapping characteristics of disk-like particles if the influence of an applied magnetic field is sufficiently more dominant than that of a flow field and that of the magnetic particle-particle interaction. In the case of a strong magnetic particle-particle interaction, thin chain-like clusters are formed from an anchored particle trapped around a magnetic pole. If the two poles are sufficiently close to each other, an arch-type cluster is formed between them. We expect that this arch-type cluster may give rise to good trapping performance even in the presence of a strong flow field if the formation arises at a sufficiently large separation distance between the pair of magnetic poles. Highlights We have performed Brownian dynamics simulations for a magnetic disk-like particle suspension in a Hagen-Poiseuille flow. If the magnetic particle-particle interaction is sufficiently more dominant than the flow field, thin chain-like clusters are formed from an anchored particle. As the pole separation distance decreases, an arch-type configuration tends to be formed along the surface of the wall. This arch-type cluster that is formed between the pair of magnetic poles may be expected to improve the trapping characteristics depending on the pole separation distance. [ABSTRACT FROM AUTHOR]

In this research, an analytical solution based on the finite Hankel transformation was developed for the magneto–thermoelasticity problem in an orthotropic hollow cylinder. Two second sound theories of generalized thermoelasticity, the Lord–Shulman and Green–Lindsay theories, were considered in a unified form to study the response of the cylinder subjected to thermal and mechanical loads, as well as a magnetic field. The inner boundary of the cylinder was subjected to a thermal shock in the form of heat flux, while the temperature was kept constant on the outer boundary. The displacement and traction boundary conditions were considered for the inner and outer surfaces of the cylinder, respectively. Closed-from solutions were presented for the magneto–thermoelasticity equations, and effects of the magnetic field intensity on the response of the cylinder were investigated. It was shown that considering finite velocity for the temperature causes propagation and reflection of the thermal wave in the cylinder. The impact of considering orthotropic material properties for the structure was studied, and the results were compared with known data from the literature, revealing strong agreement. [ABSTRACT FROM AUTHOR]

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Recent developments in 2D magnetic materials have motivated the search for new van der Waals magnetic materials, especially Ising‐type magnets with strong magnetic anisotropy. Fe‐based MPX3 (M = transition metal, X = chalcogen) compounds such as FePS3 and FePSe3 both exhibit an Ising‐type magnetic order, but FePSe3 receives much less attention compared to FePS3. This work focuses on establishing the strategy to engineer magnetic anisotropy and exchange interactions in this less‐explored compound. Through chalcogen and metal substitutions, the magnetic anisotropy is found to be immune against S substitution for Se whereas tunable only with heavy Mn substitution for Fe. In particular, Mn substitution leads to a continuous rotation of magnetic moments from the out‐of‐plane direction toward the in‐plane. Furthermore, the magnetic ordering temperature displays non‐monotonic doping dependence for both chalcogen and metal substitutions but due to different mechanisms. These findings provide deeper insight into the Ising‐type magnetism in this important van der Waals material, shedding light on the study of other Ising‐type magnetic systems as well as discovering novel 2D magnets for potential applications in spintronics. [ABSTRACT FROM AUTHOR]

Extensive research has focused on the loess deposits in southern England, aiming to unravel their stratigraphic and palaeoenvironmental significance. However, no systematic mineral magnetic study on these deposits has yet been undertaken. Here we address this by investigating the magnetic mineral composition and alignment of loess at two sites in southern England, Lowland Point (LP) on the Lizard Peninsula of Cornwall, and Pegwell Bay (PB) in eastern Kent on the Isle of Thanet. A set of rock magnetic analyses was conducted to understand mineral magnetism within the studied sections. In addition, the primary depositional origin of the magnetic fabrics as well as their overprinting caused by various possible post‐depositional processes were examined through anisotropy of magnetic susceptibility (AMS). The magnetic mineral composition is similar at both sites, derived from both sedimentary (aeolian) and post‐depositional processes. The AMS results show magnetic foliation that varies between the two sites, aligning with the bedding plane, indicating deposition from gravitational dust fall at the PB site, and a stronger wind transport energy at the LP site. Although the magnetic lineation of bulk AMS is relatively weak, there is a noticeable tendency towards alignment in most samples, with flow directions from the SE indicated at both sections if a strong wind is assumed at LP, although with a possible SW direction if a weaker wind is assumed. These observations may imply the preservation of palaeowind directions during dust transport, with a substantial southerly component, which contradicts previous assertions of dominant northerly or northeasterly winds. Indeed, a possible dominant southeasterly wind direction between 25 and 18 ka would suggest a limited influence of katabatic, westerly or polar northeasterly winds during dust transport, and rather may imply the effect of low‐pressure systems passing through the English Channel during that period. [ABSTRACT FROM AUTHOR]

Uranus is one of the least explored planets in our solar system, it exhibits a unique magnetic field structure which was observed by NASA's Voyager 2 mission nearly 50 years ago. Notably, Uranus displays extreme magnetic field asymmetry, a feature exclusive to the icy giants. We use the Boris algorithm to investigate how high energy protons behave within this unusual magnetic field, which is motivated by Voyager 2's observation of lower‐than‐expected high energy proton radiation belt intensities at Uranus. When considering full drift motions of high energy protons around Uranus, the azimuthal drift velocity can vary by as much as 15% around the planet. This results in areas around Uranus where particles will be more depleted (faster drift) and other regions where there is a surplus of particles (slower drift). This could provide a partial explanation for the "weak" proton radiation belts observed by Voyager 2. Plain Language Summary: In 1986, Voyager 2 made history as the first spacecraft to fly by Uranus, offering humanity unprecedented insights into the distant icy giant. This mission revealed to us the unique magnetic field of the planet. Typically, planets with strong magnetic fields can capture high energy charged particles from space and trap them around the planet. While being trapped within the magnetic field, the particles will slowly drift around the planet, forming what are known as "radiation belts". The radiation belts of Uranus are of particular interest to us as the Voyager 2 flyby indicated that they were much weaker than expected despite the strong magnetic field presence. We suggest that this could be explained by the unique magnetic field structure causing variations in the speed at which particles drift around the planet. This would create regions where particles are packed closer together and other regions where they are more spread‐out; we show Voyager 2 flew past a region where particles were more spread‐out. At the time of writing, a new mission to Uranus is being planned, and so this new idea could be one of many that will be tested by a future mission to the outer planets. Key Points: Asymmetry in Uranus' magnetic field causes variations in the azimuthal drift component which is most significant for high energy protonsThis drift velocity profile results in regions where there can be a surplus or depletion of protonsVoyager 2's measurement of weak proton radiation belts at Uranus could be partially explained by this phenomenon [ABSTRACT FROM AUTHOR]

Background: Extensive research has been conducted to investigate the short-term and long-term outcomes of arthroscopic Bankart repair, yielding varying results across different populations. However, there remains a dearth of studies specifically focused on evaluating outcomes in recreational athletes. Methods: A retrospective case series study was conducted on recreational athletes who underwent isolated arthroscopic Bankart repair between 2013 and 2021. The primary outcome assessed was recurrent instability, defined as dislocation or subluxation. Secondary outcomes included patient satisfaction, rates of returning to the same sports (RTS) and RTS at preinjury level, and patient-reported outcomes. Evaluation of the Rowe score, Constant score, American Shoulder and Elbow Surgeons score, and VAS pain score were performed. Prognostic factors for recurrent instability, including demographic and clinical characteristics, as well as postoperative magnetic resonance imaging (MRI) appearance of the labrum were analyzed. Results: A total of 191 patients met the selection criteria, with 150 (78.5%) available for the final follow-up. Recurrent instability occurred in 10.7% of patients, with a mean follow-up duration of 4.1 years. Younger age at surgery and more critical glenoid bone loss were significantly associated with recurrent instability (p =.038 and p =.011, respectively). The satisfaction rate regarding surgery was 90.0%. Rates of return to the same sports (RTS) and RTS at preinjury level were 82.0% and 49.3%, respectively. Clinical outcomes measured at the final follow-up were as follows: Rowe score − 92.8; Constant score − 98.0; ASES score − 98.3; VAS pain score − 0.2. Patients with recurrent instability had significantly inferior outcomes in terms of satisfaction rate, RTS at preinjury level rate, Rowe score, and Constant score (p =.000, p =.039, p =.000, and p =.015, respectively). A total of thirty-seven patients underwent MRI examination six months after surgery in our institution. The T2-weighted anterior labrum morphology was found to be poorer in patients with recurrent instability. No significant difference was observed between patients with or without recurrent instability in terms of anterior Slope, anterior labral glenoid height index (LGHI), inferior Slope, inferior LGHI, and T2-weighted inferior labrum morphology. Conclusion: Arthroscopic Bankart repair can yield satisfactory medium-term outcomes for recreational athletes. Younger age at surgery, more critical glenoid bone loss, and poorer T2-weighted anterior labrum morphology assessed six months postoperatively were significantly associated with recurrent instability. [ABSTRACT FROM AUTHOR]

Molecular magnetic materials based on 1,2-diamidobenzenes are well known and have been intensively studied both experimentally and computationally. They possess interesting magnetic properties as well as redox activity. In this work, we present the synthesis and investigation of potent synthons for constructing discrete metal–organic architectures featuring 1,2-diamidobenzene-coordinated metal centres. The synthons feature weakly bound dimethoxyethane (dme) ligands in addition to the 1,2-diamidobenzene. We characterize these complexes and investigate their magnetic properties by means of static and dynamic magnetometry and high-field electron paramagnetic resonance (HFEPR). Interestingly, the magnetic and magnetic resonance data strongly suggest a dimeric formulation of these complexes, viz. [MII(bmsab)(dme)]2 (bmsab = 1,2-bis(methanesulfonamido)benzene; dme = dimethoxyethane) with M = Co, Ni, Zn. A large negative D-value of −60 cm−1 was found for the Co(II) synthon and an equally large negative D of −50 cm−1 for the Ni(II) synthon. For Co(II), the sign of the D-value is the same as that found for the known bis-diamidobenzene complexes of this ion. In contrast, the negative D-value for the Ni(II) complex is unexpected, which we explain in terms of a change in coordination number. The heteroleptic Co(II) complex presented here does not feature slow relaxation of the magnetization, in contrast to the homoleptic Co(II) 1,2-diamidobenzene complex. [ABSTRACT FROM AUTHOR]

The organic molecules adsorbed on antiferromagnetic surfaces can produce interesting interface states, characterized by charge transfer mechanisms, hybridization of molecular-substrate orbitals, as well as magnetic couplings. Here, we apply an ab initio approach to study the adsorption of Fe phthalocyanine on stoichiometric Cr2O3(0001). The molecule binds via a bidentate configuration forming bonds between two opposite imide N atoms and two protruding Cr ones, making this preferred over the various possible adsorption structures. In addition to the local modifications at these sites, the electronic structure of the molecule is weakly influenced. The magnetic structure of the surface Cr atoms shows a moderate influence of molecule adsorption, not limited to the atoms in the close proximity of the molecule. Upon optical excitation at the onset, electron density moves toward the molecule, enhancing the ground state charge transfer. We investigate this movement of charge as a mechanism at the base of light-induced modifications of the magnetic structure at the interface. [ABSTRACT FROM AUTHOR]

During orthodontic treatments, orthodontists want to simultaneously measure different kinds of intraoral pressure of a patient to determine a suitable orthodontic treatment plan for the patient. To achieve this, an intraoral pressure sensors-array with a specific arrangement in the oral cavity is needed. Hence, in this paper, we design a smart magnetic thin-sheet structure based wireless sensors-array arrangement for intraoral-pressure sensing for orthodontics to determine the above suitable treatment plan. In general, the sensors-array consists of multiple sensing modules. Each module consists of two parts: the first part is a transmitting/receiving electromagnet which is connected to a reference electromagnet in a balanced inductance bridge configuration while the second part is a smart magnetic thin-sheet structure based high-permeable sensing diaphragm. A voltage input is applied to the reference electromagnet and transmitting/receiving electromagnet, while the voltage output is measured from the transmitting/receiving electromagnet, respectively (the transmitting/receiving electromagnet can transmit the magnetic flux as well as receive or sense the change of magnetic flux). When the sensing diaphragm (which is placed in proximity to the transmitting/receiving electromagnet) undergoes a displacement, the gap between the sensing diaphragm and transmitting/receiving electromagnet changes. This subsequently changes surrounding magnetic flux, and consequently results in a change in magnetic reluctance between the sensing diaphragm and transmitting/receiving electromagnet. Thus, the voltage output of the transmitting/receiving electromagnet is changed accordingly. Based on this operation principle, furthermore, we use multiple transmitting/receiving electromagnets to form a compact (specifically arranged) sensors-array. The results show that specifically arranged sensors-array can provide measurement results in multiple points in the oral cavity to the orthodontists, as a simplified decision-making reference for the orthodontists to determine the clinical treatment plan for patients. [ABSTRACT FROM AUTHOR]

We systematically investigated the role of additional liquid source (LS) which creates a liquid-rich nucleation environment and influences the growth kinetic energy. It enables a significant decrease in maximum processing temperature (T max) even close to the peritectic decomposition temperature (T p), hence optimizing the distribution and size of the Gd 2 BaCuO 5 (Gd211) particles. By exploiting this combined LS and low T max (LS+LT max) growth method, the performance of GdBa 2 Cu 3 O 7-δ (GdBCO) single-grain superconductors has been greatly improved. Therefore, the maximum trapped magnetic fields reach 0.746 T and 1.140 T for the 18- and 25-mm-diameter samples at 77 K. Meanwhile, superior flux pinning performance has been observed at the growth section boundaries (GSBs) with a decreased density of Gd211 particles in the LS+LT max samples. These results indicate that the LS+LT max technology can fabricate high-performance single-grain superconductors with improved reliability which is considered important for engineering applications. [ABSTRACT FROM AUTHOR]

In this study, we have investigated structural and magnetic properties of the nanoalloys of size 38 atoms of compositions Ni32Co6-nRhn and 55 atoms of compositions Ni42Co13-nRhn. We have performed simulation searches for the lowest energy structures at Gupta level and then performed DFT re-optimization for these structures. The lowest energy structures of Ni32Co6-nRhn and Ni42Co13-nRhn nanoalloys at Gupta level were found to be truncated octahedron and icosahedron structure, respectively. The lowest energy values were found to be at the compositions Ni32Co4Rh2 in Ni32Co6-nRhn and Ni42Co1Rh12 in Ni42Co13-nRhn nanoalloys. Ni atoms full occupy only the surface of the truncated octahedron and icosahedron structure with the exception of bimetallic Ni42Rh13 nanoalloy. Since the energetic stability of the truncated octahedron and icosahedron can be rationalized in terms of local atomic pressure, we have calculated the local atomic pressures of the compositions. We have also investigated the size, geometric structure, and composition effects on magnetic properties as well as stability. [ABSTRACT FROM AUTHOR]