Glycosylation, a prevalent post-translational modification, plays a pivotal role in regulating intricate cellular processes by covalently attaching glycans to macromolecules. Dysregulated glycosylation is linked to a spectrum of diseases, encompassing cancer, neurodegenerative disorders, congenital disorders, infections, and inflammation. This review delves into the intricate interplay between glycosylation and protein conformation, with a specific focus on the profound impact of N-glycans on the selection of distinct protein conformations, characterized by distinct interactomes – namely protein assemblies - under normal and pathological conditions across various diseases. We begin by examining the spike protein of the SARS virus, illustrating how N-glycans regulate the infectivity of pathogenic agents. Subsequently, we utilize the prion protein and the chaperone glucose-regulated protein 94 as examples, exploring instances where N-glycosylation transforms physiological protein structures into disease-associated forms. Unraveling these connections provides valuable insights into potential therapeutic avenues and a deeper comprehension of the molecular intricacies that underlie disease conditions. This exploration of glycosylation's influence on protein conformation effectively bridges the gap between the glycome and disease, offering a comprehensive perspective on the therapeutic implications of targeting conformational mutants and their pathologic assemblies in various diseases. The goal is to unravel the nuances of these post-translational modifications, shedding light on how they contribute to the intricate interplay between protein conformation, assembly and disease.

In this study, modified red mud after phosphorus adsorption was used as the adsorbent, and hydrochloric acid and deionized water were used as desorbents to desorb phosphorus. The components in the adsorbent were optimized based on density functional theory, and adsorbent and desorbent models were established. Molecular dynamics simulation was performed to determine the phosphorus concentration before and after desorption, interaction energies, radial distribution function(RDF), mean-square displacement(MSD), and diffusion coefficient. The Monte Carlo method was used to simulate the desorption isotherm, desorption site, heat of desorption, and desorption energy. Simulation results showed that deionized water could only desorb phosphorus on the adsorbent surface, and the stability of the system deteriorated upon adding hydrochloric acid. Hydrochloric acid destroyed the ionic and hydrogen bonding between the O atoms in H2PO4− and reactive metal and oxygen atoms in the activated red mud particles. Moreover, the van der Waals force decreased considerably. The ionic and hydrogen bonds between H2PO4− and the surface of activated red mud particles were broken by hydrochloric acid, which accelerated the desorption of phosphorus from the adsorbent surface. The interaction between hydrochloric acid and phosphorus accelerated the diffusion, which decreased the adsorption capacity. Moreover, the desorption capacity increased with increasing temperature.

This study comprehensively investigates Al2O3's mechanical properties, focusing on fracture toughness, surface energy, Young's modulus, and crack propagation. The density functional theory (DFT) is employed to model the vacancies in Al2O3, providing essential insights into this material’s structural stability and defect formation. The DFT simulations reveal a deep understanding of vacancy-related properties and their impact on mechanical behavior. In conjunction with molecular dynamics (MD) simulations, the fracture toughness and crack propagation in Al2O3 are explored, offering valuable information on material strength and durability. The surface energy of Al2O3 is also assessed using DFT, shedding light on its interactions with the surrounding environment. The combination of DFT and MD simulations provides a robust framework for a comprehensive understanding of Al2O3's mechanical properties, with implications for material science and engineering applications.

This comprehensive review delves into gold market business management, covering historical perspectives, market dynamics, mining models, investment strategies, technology, regulations, global trends, and sustainability. Starting with a historical overview, it traces the gold market's evolution and analyzes supply-demand dynamics, price fluctuations, and geopolitical influences. The article scrutinizes gold mining models, evaluating environmental and social responsibilities, and explores financial management strategies, emphasizing risk and gold's role in portfolios. Examining technology's role, it highlights innovations in exploration, mining, and processing for improved efficiency and sustainability. The regulatory landscape analysis encompasses compliance challenges, environmental regulations, and ethical considerations, emphasizing global impacts. Global market trends are explored, identifying potential opportunities and challenges, offering strategic insights. The review concludes by evaluating sustainability practices, emphasizing environmental conservation, community engagement, and ethical sourcing.

This work targets the development of a mobility control system for high-speed series hybrid electric tracked vehicles, which operate with independent traction motors for each track. The scope of the research encompasses the modeling of the series hybrid powertrain specific to military tracked vehicles, as well as an in-depth analysis of their dynamic behavior. Subsequently, the study conducts a critical review of the mobility control approaches sourced from literature, identifying key techniques relevant to high-inertia vehicular applications. Building on the foundational models, the study puts forward a robust closed-loop mobility control system aimed at ensuring precise and stable off-road vehicle operations. The system's resilience and adaptability to a variety of driving conditions are emphasized, with a particular focus on handling maneuvers such as steering and pivoting, which are challenging operations for tracked vehicle agility. The performance of the proposed mobility control system is tested through a series of simulations, covering a spectrum of operational scenarios. These tests are carried out in both offline simulation settings, which permit meticulous fine-tuning of system parameters, and real-time environments that replicate actual field conditions. The simulation results demonstrate the system's capacity to improve vehicular response and highlight its potential impact on the future designs of mobility control systems for the heavy-duty vehicle sector, particularly in defense applications.

The World Health Organization (WHO) documents malaria as one of the leading causes of high morbidity and mortality worldwide. The disease affects millions and kills thousands of people annually. Efforts to reduce the global burden of malaria have prompted WHO to recommend prevention strategies like using anti-malarial drugs. However, these strategies have been ineffective because of anti-malarial drug resistance. The only efficacious malaria treatment is Artemisinin-based Combination Therapy (ACT). However, the extended ACTs clearance times, linked to the emergence of artemisinin monotherapy resistance recorded most recently in Africa and the Great Mekong region, pose a danger to its efficacy. Therefore, better efficacious malaria drugs are required. Since P. falciparum heat shock protein 90 (PfHsp90) is a well-characterized malaria drugs target, this study uses it to discover more efficacious malaria drugs. An in-silico approach was used to discover PfHsp90 inhibitors with pharmacological properties against Plasmodium malaria using molecular dynamics simulation (MDS) and hierarchical virtual screening. Geldanamycin (GDM), a well-known anti-PfHsp90 compound, was used to identify PfHsp90 inhibitors with pharmacological properties against Plasmodium malaria by screening it against the ZINC database via the ZINCPHARMER web server. This virtual screening process resulted in 17 hits. These ZINCPHARMER hits were subjected to drug-likeness and pharmacokinetics properties analysis in the SwissADME web server, and 9 of them satisfied the requirements. The 9 ZINC compounds were docked with PfHsp90 using the PyRx software to understand their interactions. From the molecular docking results, ZINC09060002 (-8.2 kcal/mol), ZINC72133064 (-7.8 kcal/mol), ZINC72163401 (-7.7 kcal/mol), ZINC72358537 (-8.1 kcal/mol), and ZINC72358557 (-7.6 kcal/mol) had better binding affinities to PfHsp90 than GDM (-7.5 kcal/mol). The stability of these molecularly docked protein-inhibitor complexes was assessed through MDS using GROMACS 2022. ZINC72163401, ZINC72358537, and ZINC72358557 formed stable complexes with PfHsp90. The lead compounds were subjected to in vitro validation for their inhibitory capability. They showed promising inhibition of parasite growth with IC50 values ranging between 200 – 400 ng/ml. In this regard, the three PfHsp90 inhibitors can be used as anti-malarial drugs. However, further structural optimization studies and clinical (in vivo) tests are necessary to ascertain the antimalarial activity of these compounds in humans.

To study the coupling mechanism and dynamic response of the end-face movable gear trans-mission system under complex excitation, a specific configuration of end-meshing movable gear reduction mechanism was used to achieve predetermined rigid thrust transmission and mis-matched gear meshing functions, which solved the inherent defects of traditional harmonic gear mechanism thin-wall flexible wheel easy to be damaged by fatigue. Considering the phenomenon of elastic deformation of live teeth accompanied by significant changes in meshing characteristics in the transmission process of end-meshing harmonic reducer, the influence of dynamic meshing parameters, live tooth deformation, time-varying stiffness of tooth meshing, and time-varying backlash on nonlinear dynamic performance was explored, as well as the mechanism of mul-ti-parameter coupling on transmission performance. The nonlinear dynamics model of the end-meshing harmonic reducer is established to solve the chattering prediction problem. Finally, a comprehensive test bed for the transmission system of harmonic reducer with meshing type with adjustable characteristic end was built to verify the correctness of the theoretical model and provide the theoretical and technical basis for exploring the optimal parameter selection of pas-sive vibration suppression problem.

In-depth insights into the profound impacts of climate change and human activities on water resources are garnered through the dynamic changes in surface water, a crucial aspect of effective water resource management and the preservation of aquatic ecosystems. This paper introduces an innovative approach employing the random forest algorithm for the systematic extraction and monitoring of surface water at large regional or national scales. This method integrates spectral bands, spectral indices, and digital elevation model data, offering a novel perspective on this critical task. A data filling model is proposed to mitigate the impact of missing data due to cloud cover. Leveraging the capabilities of the Google Earth Engine (GEE), detailed information on surface water dynamics during the rainy and dry seasons in the Yangtze River Basin (YRB) from 1991 to 2021 is extracted using Landsat time series imagery. The analysis encompasses spatial-temporal variation characteristics and trends, with a specific focus on the intricate interplay between the areal extent of surface water and hydro-meteorological factors in each sub-basin of the YRB. Importantly, this includes considerations of potential groundwater contributions to surface water. Key findings from our research include: (1) Achieving a remarkable overall accuracy of 0.96 ± 0.03 in obtaining reliable surface water datasets with the support of GEE. (2) Identifying significant trends, such as a noteworthy increase in rainy season surface water bodies (+248.0 km2·yr−1) and a concerning decrease in surface ice/snow cover during both rainy and dry seasons, with change rates of −39.7 km2·yr−1 and −651.3 km2·yr−1, respectively. (3) Uncovering the driving mechanisms behind these changes, revealing positive correlations between the areal extent of rainy season surface water bodies and precipitation, as well as negative correlations between surface ice/snow cover area and average surface skin temperature. It is crucial to note that these driving factors exhibit variation among secondary river systems, underscoring the complexity of surface water dynamics. Furthermore, comparative analyses with existing surface water products are conducted, contributing to a deeper understanding of the advantages and uncertainties inherent in our proposed extraction method. The proposed method for large-scale surface water extraction not only enhances the monitoring of spatio-temporal surface water dynamics in the YRB but also provides valuable insights for the sustainable utilization and protection of water resources, considering the potential role of groundwater in supplementing surface water.

This work is an addition to the previously developed two-dimensional model of the shock-plasma interaction extending it into the third dimension. The model allows tracing the evolution of the state of the hypersonic flow and the shock front refracted at a thermal discontinuity. The advantages of using the spherical coordinate system for this type of the problems include more transparency in interpreting the solution and a shortened calculation procedure, because all the changes to the front become reduced to one distortion component only. Although the vorticity generation triggered at the interface is the consequence of the refraction and tied to the steep changes of the front, it is shown here that it is not because of an instant parameter jump at the interface due to refraction itself.

Abdominal aortic aneurysm (AAA) is a chronic disease in which the abdominal aorta expands until it ruptures. AAA incidence: 10 million/year (India), deaths: 40%-90% (13th leading cause of death in the USA). Current treatment methods make diagnosis difficult due to the lack of noticeable symptoms and inaccurately planned operations. Rupture Scope is a mathematical model to dramatically reduce AAA deaths and improve treatment efficiency. Using a case-specific replica/simulation of real-time abdominal aortic blood flow for monitoring without frequent imaging scans and a novel derived mathematical linear regression model to predict rupture date and expansion rate with an overall accuracy of 95.64%.

If we assume that: a. The four fundamental forces of nature are independent waves without rest masses, and their speeds are constant in a vacuum, just like light. b. Light or electromagnetic waves and gravity are comparable in structures. Weak and strong interactions are similar in structures. c. Light and weak interaction have the same speed c_L with spin number +1 or –1. d. Gravity and strong interaction have the same speed c_G without spin. e. The primary particles, namely electrons, electron neutrinos, and dark neutrinos in this paper, are made by the above four waves. We can find and describe some fundamental characteristics of the primary particles (e.g., their sizes, energies, and interactions) and introduce new attractive results from them (e.g., the source of the Pauli exclusion principle, the solution to the Einstein-Podolsky-Rosen paradox, and c_G slightly faster than c_L).

This research paper presents a comprehensive study on the gasification of wheat straw pellets in a 10-kW fixed bed gasifier through a combination of Computational Fluid Dynamics (CFD) simulation and experimental validation. The developed 2D CFD model in ANSYS meshing simulates the gasification process in ANSYS Fluent software. The investigation evaluates key parameters such as equivalence ratio, higher heating value, and temperature distribution within the gasifier to enhance syngas production efficiency. The simulated results exhibit a noteworthy agreement with experimental data obtained from gasification. The impact of the equivalence ratio on gas production and lower heating value (LHV) is systematically explored, revealing that an equivalence ratio of 0.35 is optimal for syngas production. The resulting producer gas composition at this optimum condition includes CO (~27.67%), CH4 (~3.29%), CO2 (~11.09%), H2 (~11.09%), and N2 (~51%). The study further investigates the positive influence of reactor temperature on increasing syngas quantity while considering the uneven shape of the reactor and various thermal reactions affecting temperature, static pressure, velocity, and density. The findings contribute valuable insights to improve the efficiency of fixed-bed gasifiers, offering essential information on performance parameters for sustainable and optimized syngas production.

User-generated passwords often pose a security risk in authentication systems. However, providing a comparative substitute poses a challenge, given the common tradeoff between security and user experience. This paper integrates cryptographic methods (both asymmetric and symmetric), steganography, and a combination of physiological and behavioral biometrics to construct a prototype for a passwordless authentication system. We demonstrate the feasibility of scalable passwordless authentication while maintaining a balance between usability and security. We employed threat modeling techniques to pinpoint the security prerequisites for the system, along with choosing appropriate cryptographic protocols. In addition, a comparative analysis is conducted, examining the security impacts of the proposed system in contrast to that of traditional password-based systems. Results from the prototype indicate that authentication is possible within a timeframe similar to passwords (within 2 seconds), without imposing additional hardware costs on users to enhance security or compromising usability. Given the scalable nature of the system design and the elimination of shared secrets, the financial and efficiency burdens associated with password resets are alleviated. Furthermore, the risk of breaches is mitigated, as there is no longer a need to store passwords and/or their hashes. Differing from prior research, our study presents a pragmatic design and prototype that deserves consideration as a viable alternative for both password-based and passwordless authentication systems.

Changing the film thickness to manipulate the microstructural properties has been considered as a potential method in practical application. Here, we report that atomic-scale structural properties regulated by film thickness in NiCO2O4(NCO)/CuFe2O4(CFO) bilayer heterostructure prepared on (001)-MgAl2O4 (MAO) substrate by means of aberration-corrected scanning transmission electron microscopy (STEM). The misfit dislocations at NCO/CFO interface and antiphase boundaries (APBs) bound to dislocations within the films both are found in NCO (40 nm)/CFO (40 nm)/MAO heterostructure to contribute to relaxation of mismatch lattice strain. In addition, the non-overlapping a/4[101]-APB is found and the structural transformation of this kind of APB is resolved at atomic scale. In contrast, only the interfacial dislocations form at interface without the formation of APBs within the films in NCO (10 nm)/CFO (40 nm)/MAO heterostructure. Our results provide evidence that formation of microstructural defects can be regulated by changing film thickness to tune magnetic properties of epitaxial bilayer spinel oxide films.

Explosive boiling is a fast phase transition from an ultra-thin liquid film to vapor under an extremely high heat flux, which typically has been studied using molecular dynamics simulation (MDS) method. The present MDS study investigated the explosive boiling of a liquid argon nanofilm over different solid copper surfaces with different nanowall patterns including parallel and cross nanowalls. For each surface, atomic motion trajectories, number of liquid and vapor argon atoms, heat flux, and, mainly, onset time of explosive boiling were investigated. The simulation results indicated that explosive boiling occurs earlier on parallel and cross nanowall surfaces than on an ideally smooth surface, regardless of the topology and configuration of nanowalls. Moreover, the results revealed that by using the cross nanowall surfaces, the onset time of explosive boiling decreased by 0.7–4% compared to the parallel nanowall surfaces. In addition, it was found that the onset time of explosive boiling strongly depends on the potential energy barrier and the movement space between nanowalls for both parallel and cross nanowall surfaces. Furthermore, simulation findings showed that even though increasing the height of cross nanowalls increases heat flux and temperature of the fluid argon domain, it does not necessarily result in a shorter onset time of explosive boiling. These findings demonstrate the capability of cross nanowall surfaces for explosive boiling, thereby could be utilized in future surface design for thermal management applications.

The molecular entity that catalyzes ferredoxin (Fd)-dependent cyclic electron flow around photosystem I (PSI) (Fd-CEF) remains unknown. To elucidate the in vivo molecular mechanism of Fd-CEF, the evaluation of Fd reduction‒oxidation kinetics is a good indicator of Fd-CEF activity. Recent research showed that the expression of Fd-CEF activity requires the oxidation of plastoquinone, and furthermore, chloroplast NAD(P)H dehydrogenase does not catalyze Fd-CEF in Arabidopsis thaliana. In the present research, the effect of reduced Fd on Fd-CEF activity was analyzed by comparing wild-type and pgr5-deficient mutants (pgr5hope1). PGR5 has been proposed to be the mediator of Fd-CEF, and pgr5hope1 showed the same CO2 assimilation rate and the same reduction‒oxidation level of PQ as WT, but P700 oxidation with Fd was highly reduced, unlike WT. As expected, the activity of Fd-CEF was enhanced in pgr5hope1 compared to the wild type, and its activity was also enhanced with the oxidation of PQ by the increase in the CO2 assimilation rate. The present in vivo research clearly shows that the expression of Fd-CEF activity requires reduced Fd in addition to oxidized PQ, and PGR5 does not catalyze Fd-CEF.

In view of the inability to directly and accurately obtain the athlete's aerodynamic force during take-off phase through wind tunnel test, the athlete's aerodynamic force and surrounding flow field form under different take-off postures are obtained through numerical simulation research, and the effects of different take-off modes on the aerodynamic characteristics during take-off in ski jumping are discussed. The multi-body system composed of the athlete and skis was selected as the research objects. By using partially averaged Navier-Stokes (PANS) turbulence model and 3D numerical simulation of computational fluid dynamics (CFD), the aerodynamic characteristics of the athlete under different take-off postures were predicted. Take-off modes include knee-push-hip (KPH) mode and hip-drive-knee (HDK) mode, and the hip joint angle of HDK mode is significantly greater than KPH mode. First, the aerodynamic force ratio of the athlete’s torso and legs is obviously large. Although the aerodynamic force of arms themselves is not obvious, they have a great impact on the overall aerodynamic characteristics of the athlete, so the posture of arms cannot be ignored. Then, the total drag and moment of HDK mode are significantly higher than that of KPH mode, and the lift-to-drag ratio of HDK mode is significantly lower than that of KPH mode. At first the total lift of HDK mode is higher than that of KPH mode, but in the last attitude the total lift of HDK mode does not rise but fall, and finally the total lift of HDK mode is lower than KPH mode. The aerodynamic characteristics change dramatically during take-off phase, and the aerodynamic characteristics of the two take-off modes are quite different, and these changes and differences are difficult to be observed in real training and competition site. KPH mode has obvious aerodynamic advantage over HDK mode. During the take-off process, the athlete should increasethe force generated by the knee joint extension and appropriately reduce the speed of hip joint extension, and control the using force order of the lower limb joints, and push hip joint extension by knee joint extension, in order to avoid issues such as the hip joint angle is too large, the hip joint extension angle is too fast, the center of gravity is to back and other problems. Studying the aerodynamic characteristics during the take-off phase provides valuable insights for athletes to achieve favorable flight postures after take-off, offering scientific guidance to improve training strategies and enhance competitive performance.

We consider that the relationship between entropy in statistical mechanics, which is the Boltzmann principle, and the complex velocity potential in complex fluid dynamics. We define the generalized complex entropy which expanded entropy from real space to complex space. We show that the complex entropy can be expressed by the composition of sources, sinks and laminar flows of the complex velocity potential. Therefore, the complex entropy is considered a special case of the complex fluid dynamics,that is, the complex velocity potential. In other words, we show that the complex entropy is expressed by the complex velocity potential. Moreover, we show that a complex number is expressed by the complex entropy. Thus, we show that the complex velocity potential is expressed by the complex entropy. Namely, we will expand entropy to complex space and see that the complex entropy is expressed by the complex velocity potential. Furthermore, we examine the possibility that it is an expansion of Boltzmann's principle and Planck distribution.

The definitive negative results of various direct searches for dark matter particles and non-observation of them has increasingly indicated that we should consider alternate models like the Modification of Newtonian Dynamics (MOND) and Modification of Newtonian Gravity (MONG). It is puzzling how the Oort cloud, despite its great distance from the Sun, is gravitationally bound to the Sun’s gravity. In this work, we suggest that this could be explained by the modifications to Newtonian dynamics (MOND) and to gravity (MONG).

Objective: The stability of the flight phase in ski jumping is crucial for athletes' performance and safety. This study aims to investigate the influence of unfavorable conditions on aerodynamic characteristics and flight stability through computational fluid dynamics (CFD) numerical simulations. Methods: The ski jumper and the skis are considered as a multi-body system. A detailed three-dimensional (3D) model of this multi-body system under a commonly observed posture during flight is established. The partially averaged Navier-Stokes (PANS) turbulence model is employed, and CFD simulations are conducted to predict the aerodynamic characteristics of the multi-body system under lateral environmental wind and asymmetric postures during flight phase. The conditions of asymmetric postures include yaw rotation and roll rotation. Results: (1) Lateral environmental wind generated yaw force, yaw moment, and roll moment, which influenced the lift, drag, and pitch moment of the athlete. These forces and moments were relatively small at lower wind speeds (less than 3 m/s) and became more significant at higher wind speeds (greater than 4.5 m/s). (2) Under the influence of yaw rotation or roll rotation, the multi-body system exhibited noticeable yaw force, yaw moment, and roll moment, all showing a monotonic increasing trend. Moreover, they had a significant impact on the lift, drag, and pitch moment of the multi-body system. Conclusion: (1) The influence of unfavorable conditions is complex, resulting in significant yaw force, yaw moment, and roll moment on the multi-body system. The adverse effects of roll rotation were generally greater than those of yaw rotation. (2) The multi-body system exhibited self-stabilizing tendencies in yaw and roll. This phenomenon can provide a solution to maintain flight stability by employing appropriate yaw or (and) roll rotation angles, effectively compensating for or even eliminating the adverse effects of lateral environmental wind. (3) Understanding the mechanisms of how unfavorable conditions affect the aerodynamic characteristics and stability during flight in ski jumping can provide valuable assistance for real-time prediction and decision-making during competitions, as well as scientific guidance for training athletes stable flight control and techniques and improving their sport performance.

Certain configurations of liquefied natural gas refueling stations exhibit a deficiency in managing boil-off gas. Furthermore, the ill-conceived linkage between the submersible pump and the gas storage tank pipeline leads to impeded natural gas transmission. This study employs Computational Fluid Dynamics (CFD) methodology to scrutinize the hydrodynamic attributes of T-type tee and dovetail tee configurations implemented in the pipeline design connecting the submersible pump and storage tank in an LNG filling station across diverse operational scenarios. The T-type tee induces detachment of the primary flow from the inner wall due to inertial forces, resulting in vortex formation and heightened resistance, accompanied by increased energy dissipation. Conversely, the dovetail tee, with its circular wall transition, mitigates vortex generation, reducing the separation zone and consequently minimizing resistance and energy loss. The maximum static differential pressure between the inlet and outlet of the dovetail tee is diminished by 52.52% when compared to that of the T-type tee. In the most noteworthy scenarios, the local resistance coefficient of the dovetail tee is even less than 1/10 of that of the T-type tee. In practical engineering applications, the incorporation of dovetail tees leads to a 17.58% reduction in the required elevation difference. This results in a more uniform flow field and enhanced stability in both flow rate and pressure. Such improvements contribute to heightened engineering efficiency and environmental sustainability, particularly evident in the design of LNG filling stations.

Covid-19 is an airborne disease, with the vast majority of infections occurring indoors. By comparison, little transmission occurs outdoors. Here, we investigate the airborne transmission pathways that differentiate the indoors from outdoors, and conclude that profound differences exist, which help to explain why SARS-CoV-2 transmission is much more prevalent indoors. Near and far-field transmission pathways are discussed along with factors that affect infection risk, with aerosol concentration, air entrainment, thermal plumes, and occupancy duration all identified as being influential. In particular, we present the fundamental equations that underpin the Wells-Riley model, and show the mathematical relationship between inhaled virus particles and quanta of infection. A simple model is also presented for assessing infection risk in spaces with incomplete air mixing. Transmission risk is assessed in terms of aerosol concentration using simple 1D equations, followed by a description of thermal plume-ceiling interactions. With respect to this, we present new experimental results using Schlieren-visualisation and Computational Fluid Dynamics (CFD) based on the Eulerian-Lagrangian approach. Pathways of airborne infection are discussed, with the key differences identified between indoors and outdoors. In particular, the contribution of thermal and exhalation plumes is evaluated, and the presence of near-field/far-field feedback loop postulated, which is absent outdoors.

In Active Flow Control (AFC) applications, to activate the boundary layer the use of pulsating flow has notorious energy advantages versus constant blowing/suction jet injections. For a given AFC application, five parameters, jet location and width, inclination angle, frequency of injection and momentum coefficient need to be tuned. Two main devices are nowadays capable of injecting pulsating flow with the sufficient momentum coefficient to delay the boundary layer separation, these are the Zero Net Mass Flow actuators (ZNMFA) and the Fluidic Oscillators (FO). In the present research, a novel FO configuration is analyzed for the first time at relatively high Reynolds numbers, fluid is considered as incompressible. After obtaining the typical linear correlation between the incoming Reynolds number and the outlet flow oscillating frequency, the effect of outlet width and mixing chamber wedge inclination angle dimensional modifications is addressed, modifications of the outlet width are observed to create large variations on the FO performance. The origin of the self-sustained oscillations is also analyzed in the present manuscript and greatly helps in clarifying the forces acting on the jet inside the mixing chamber. In fact we can conclude saying that the current FO configuration is pressure driven although the mass flow forces appear to be a much more relevant than in previous FO configurations studied.

In this research, we present the first steps taken towards a data-driven agent-based model (ABM) specifically designed for simulating infectious disease dynamics in Greece. Amidst the ongoing COVID-19 pandemic caused by SARS-CoV-2, this research holds significant importance as it can offer valuable insights into disease transmission patterns and assist in devising effective intervention strategies. To the best of our knowledge, no similar study has been conducted in Greece. We constructed a prototype ABM that utilizes publicly accessible data to accurately represent the complex interactions and dynamics of disease spread in the Greek population. By incorporating demographic information and behavioral patterns, our model captures the specific characteristics of Greece, enabling accurate and context-specific simulations. By using our proposed ABM, we aim to assist policymakers in making informed decisions regarding disease control and prevention. Through the use of simulations, policymakers have the opportunity to explore different scenarios and predict the possible results of various intervention measures. These may include strategies like testing approaches, contact tracing, vaccination campaigns, and social distancing measures. Through these simulations, policymakers can assess the effectiveness and feasibility of these interventions, leading to the development of well-informed strategies aimed at reducing the impact of infectious diseases on the Greek population. This study is an initial exploration toward understanding disease transmission patterns and a first step towards formulating effective intervention strategies for Greece.

On February 24, 2022 Russia started the full-scale invasion of Ukraine, which created an unprecedented number of refugees. To estimate the influence of this humanitarian disaster on the COVID-19 pandemic dynamics, the averaged daily numbers of cases and reproduction numbers in Ukraine, the UK, Poland, Germany, the Republic of Moldova, and in the whole world were calculated for the period February-April 2022. The registered numbers of cases were compared with ones calculated with the use of the generalized SIR-model and corresponding parameter identification procedure for the previous epidemic waves in Ukraine, Poland, Germany, and the world. Since before February 24, 2022 the estimation of the number of infectious persons per capita in Ukraine 3.6 times exceeded the global figure, the increase of the number the new cases and the pandemic duration was expected. In March 2022 the increase of the averaged number of new cases in the UK, Germany, and worldwide was visible. A simple formula to estimate the effective reproduction number based on the smoothed accumulated numbers of cases is proposed. The results of calculations agree with the figures presented by John Hopkins University and demonstrate a short-term growth of the reproduction number in the UK, Poland, Germany, Moldova, and worldwide in March 2022.

This article lays the foundation for Extended Relativity (ER) – a unified geometric approach to the electromagnetic and gravitational field and relativistic dynamics in them. We explain here the basic tenets of ER, including the influenced spacetime of an object and the Extended Principle of Inertia. These two new ideas enable a unified theory of these fields. We introduce local scaling functions for describing the geometry of a spacetime influenced by a field and construct a simple, universal local scaling function which unifies electromagnetism and gravity. We recover the full electromagnetic theory, including Maxwell’s equations. For gravitation, ER passes all of the tests of General Relativity. Despite the non-linearity of relativistic gravitation, we obtain a method of combining fields from multiple sources. Finally, we identify the differences in the relativistic treatment of the electromagnetic field by Special Relativity and of the gravitational field by General Relativity and indicate how these differences are resolved in ER.

This article presents a concise survey of basic discrete and semi-discrete nonlinear models which produce two- and three-dimensional (2D and 3D) solitons, and a summary of main theoretical and experimental results obtained for such solitons. The models are based on the discrete nonlinear Schrödinger (DNLS) equations and their generalizations, such as a system of discrete Gross-Pitaevskii (GP) equations with the Lee-Huang-Yang corrections, the 2D Salerno model (SM), DNLS equations with long-range dipole-dipole and quadrupole-quadrupole interactions, a system of coupled discrete equations for the second-harmonic generation with the quadratic (χ⁽²⁾) nonlinearity, a 2D DNLS equation with a superlattice modulation opening mini-gaps, a discretized NLS equation with rotation, a DNLS coupler and its PT-symmetric version, a system of DNLS equations for the spin-orbit-coupled (SOC) binary Bose-Einstein condensate, and others. The article presents a review of basic species of multidimensional discrete modes, including fundamental and vortex solitons, their bound states, gap solitons populating mini-gaps, symmetric and asymmetric solitons in the conservative and PT-symmetric couplers, cuspons in the 2D SM, discrete SOC solitons of the semi-vortex and mixed-mode types, 3D discrete skyrmions, and some others.

Heat dissipation from Li-ion batteries is a potential safety issue for large-scale energy storage applications. Maintaining low and uniform temperature distribution, and low energy consumption of the battery storage is very important. We studied the fluid dynamics and heat transfer phenomena of a single cell, 16-cell modules, battery packs, and cabinet through computer simulations and experimental measurements. The results show that the temperature distribution of single cell is relatively uniform when the cell is facing the air flow. In a module, very high air flow rate and large gap between the cells can reduce the cell temperature. A pack with a good thermally conductive case is very important to ensure good heat dissipation of the battery module. Due to limited space in the cabinet, additional air inlets and outlets can be opened outside of the cabinet to slightly lower the pack temperature. Installing fins outside the cabinet can also slightly reduce the temperature inside the cabinet. Liquid cooling medium, such as water, is much better than the air-cooling medium.

Efficient implementation of clean energy technologies, including pioneering solutions like mobile solar PV systems mounted on trailers (MSPT), is pivotal for addressing energy challenges, especially in regions with constrained power grid access. This endeavour is vital for meeting escalating elec-tricity demands and aligning with the UN Sustainable Development Goal (SDG) aimed at ensuring dependable and sustainable energy provision in developing countries. This paper investigates the aerodynamic behaviour of a designed MSPT using numerical and experimental approaches. Spe-cifically, the study focuses on the effects of wind velocity and tilt angels on the drag and lift forces, as well as drag and lift coefficients on the panel used in the MSPT system. Additionally, the overall wind force acting on the entire MSPT (including 9 large solar PV panels) was examined, considering the combined effects of wind flow and the system's geometry. The simulations were conducted using ANSYS-Fluent software and experimental testing was performed utilizing scaled-down models to validate the accuracy of the simulation. The insights and the knowledge from this study can be utilized to optimize the design, installation, and operation of such systems, ultimately enhancing their performance, reliability, and paving ways for further improvements in mobile solar PV technology.

Shut-in after fracturing is generally adopted for wells in shale oil reservoirs, and imbibition occurring in matrix nanopores has been proven as an effective way to improve recovery. In this research, the molecular dynamics (MD) simulation was used to investigate the effects of wettability and pressure on nanopores imbibition during shut-in for a typical shale reservoir Jimsar. The results indicate that the microscopic advancement mechanism of the imbibition front is the competitive adsorption between “interfacial water molecules” at the imbibition front and “adsorbed oil molecules” on the pore wall. The essence of spontaneous imbibition involves the adsorption and aggregation of water molecules onto the hydroxyl groups on the pore wall. The flow characteristics of shale oil suggest that the overall push of the injected water to the oil phase is the main reason for the displacement of adsorbed oil molecules. Thus, shale oil especially the heavy hydrocarbon component in the adsorbed layer tends to slip on the walls. However, the weak slip ability of heavy components on the wall surface is an important reason that restricts the displacement efficiency of shale oil during spontaneous imbibition. The effectiveness of spontaneous imbibition is strongly dependent on the hydrophilicity of the matrix pore's wall. The better hydrophilicity of the matrix pore's wall facilitates higher levels of adsorption and accumulation of water molecules on the pore wall and requires less time for “interfacial water molecules” to compete with adsorbed oil molecules. During the forced imbibition process, the pressure difference acts on both the bulk oil and the boundary adsorption oil, but mainly on the bulk oil, which leads to the occurrence of wetting hysteresis. Meanwhile, shale oil still existing in the pore always maintains a good stratified adsorption structure. Because of the wetting hysteresis phenomenon, as the pressure difference increases, the imbibition effect gradually increases, but the actual capillary pressure gradually decreases and there is a loss in the imbibition velocity relative to the theoretical value. Simultaneously, the decline in hydrophilicity further weakens the synergistic effect of pressure difference because of the more pronounced wetting hysteresis. Thus, selecting an appropriate well pressure enables cost savings and maximizes the utilization of the formation's natural power for EOR.

Auger-emitting radionuclides exemplified by Pd-103, exhibit considerable therapeutic potential in cancer treatment due to their heightened cytotoxicity and localized biological impact. Despite these advantages, the separation of such radionuclides presents a complicated challenge, requiring intricate and time-intensive "wet chemistry" methods attributed to the exceptional chemical inertness of the associated metals. This study proposes an innovative solution to this separation challenge through the design and implementation of a radionuclide separation equipment (RSE). The equipment employs a dry distillation approach, capitalizing on differences in partial vapor pressures between irradiated and resulting radioactive metals, with a diffusion-driven extraction method applied to separate Pd-103 radionuclides generated via proton irradiation of Rh-103 at the ATOMKI MGC-20 cyclotron. Optimization endeavors focused on determining the optimal temperature for effective metal separation, adjusting diffusion, evaporation, and deposition rates, as well as addressing chemical impurities. Calculations indicate 17 % ± 2 % separation efficiency with our RSE. Approximately 77% ± 2% and 49% ± 2% of the deposited Pd-103 were isolated on substrates of Nb foil and ZnO-covered W disk, respectively. The proposed innovative dry distillation method that has been experimentally tested, offers a promising alternative to conventional separation techniques, enabling enhanced purity and cost-efficient cancer treatment strategies.

Advanced methods of treatment are needed to fight the threats of virus-transmitted deseases and pandemics. Often they are based on an improved biophysical understanding of virus replication strategies and processes in their host cells. For instance, an essential component of the replication of the Hepatitis C virus (HCV) proceeds under the influence of non-structural HCV proteins (NSPs) that are anchored to the endoplasmatic reticulum (ER), such as the NS5a protein. The diffusion of NSPs has been studied by in-vitro fluorescence recovery after photobleaching (FRAP) experiments. The diffusive evolution of the concentration field of NSPs on the ER can be described by means of surface partial differential equations (sufPDE). Knodel et al, Viruses 2018, 10, 28 estimated the diffusion coefficient of the NS5a protein by minimizing the discrepancy of an extended set of sufPDE simulations and experimental FRAP time series data. Here, we provide a scaling analysis of the sufPDEs that describe the diffusive evolution of the concentration field of NSPs on the ER. This analysis provides an estimate of the diffusion coefficient that is based only on the ratio of the membrane surface area in the FRAP region and its contour length. The quality of this estimate is explored by comparison to numerical solutions of the sufPDE for a flat geometry and for ten different 3D embedded 2D ER grids that are derived from fluorescence z-stack data of the ER. Finally, we apply the new data analysis to the experimental FRAP time-series data analyzed in our previous paper, and we discuss the opportunities of the new approach.

Computational rhinology is a specialized branch of biomechanics leveraging engineering techniques for mathematical modelling and simulation to complement the medical field of rhinology. Computational rhinology has already contributed significantly to advancing our understanding of the nasal function, including airflow patterns, mucosal cooling, particle deposition, and drug delivery, and is foreseen as a crucial element in e.g. the development of virtual surgery as a clinical, patient-specific decision support tool. The current paper delves into the field of computational rhinology from a nasal airflow perspective, highlighting the use of computational fluid dynamics to enhance diagnostics and treatment of breathing disorders. The paper consists of three distinct parts – an introduction to and review of the field of computational rhinology, a review of published literature on in vitro and in silico studies of nasal airflow, and the presentation and analysis of previously unpublished high fidelity CFD simulation data of in silico rhinomanometry. While the two first parts of the paper summarize the current status and challenges in the application of computational tools in rhinology, the last part addresses the gross disagreement commonly observed when comparing in silico and in vivo rhinomanometry results. It is concluded that this discrepancy cannot readily be explained by CFD model deficiencies caused by poor choice of turbulence model, insufficient spatial or temporal resolution, or neglecting transient effects. Hence, alternative explanations such as nasal cavity compliance or drag effects due to nasal hair should be investigated.

Reservoir computing (RC) systems can efficiently forecast chaotic time series using nonlinear dynamical properties of an artificial neural network of random connections. The versatility of RC systems has motivated further research on both hardware counterparts of traditional RC algorithms and more efficient RC-like schemes. Inspired by the nonlinear processes in a living biological brain and using solitary waves excited on the surface of a flowing liquid film, in this paper we experimentally validate a physical RC system that substitutes the effect of randomness for a nonlinear transformation of input data. Carrying out all operations using a microcontroller with a minimal computational power, we demonstrate that the so-designed RC system serves as a technically simple hardware counterpart to the `next-generation’ improvement of the traditional RC algorithm.

In this work, we have studied microstructure and unusual ferromagnetic behavior in cobalt (Co)-implanted epitaxial tin dioxide (SnO2) films. The study was aimed to provide a comprehensive understanding of the interplay between cobalt implant distribution, crystal defects, such as oxygen vacancies, and magnetic properties in Co-implanted SnO2 films, which has potential applications in spintronics and memristor devices. The scanning electron microscopy (SEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), vibrating sample magnetometry (VSM), differential thermo-magnetic analysis (DTMA), and ferromagnetic resonance (FMR) were employed for investigations of SnO2 films implanted with 40 keV Co+ ions at room or the elevated temperatures of substrate. The experimental data showed that the Co ion implantation with high fluence of 1.0 1017 ions/cm2 induces significant changes in the microstructure of SnO2 films, leading to the appearance of ferromagnetism with the Curie temperature significantly above room temperature. Strong influence of implantation temperature and subsequent high-temperature annealing in air or in vacuum on magnetic properties of Co-implanted SnO2 films were established. Moreover, the chemical effect of ethanol on FMR spectra were observed. The obtained results are discussed within the model of two magnetic layers with different concentration and valence states of the implanted cobalt and with high content of oxygen vacancies.

In this paper we study the influence of a small group of agents (i.e., a lobby) who is trying to spread a rumor in a population using the well known model suggested by Galam. In particular, lobbies are modeled as subgroups of people who strategically choose their seating in the social space in order to protect their opinion and influence the others. We consider different social gatherings and simulate the opinion dynamics comparing situations in which a lobby is present to those without lobby. Our results show how the lobby can influence the opinion dynamics in terms of the prevailing opinion and the mean time to reach unanimity. The approach we follow overcomes some of the issues that behavioral economics and psychology have recently encountered in terms of replicability. This approach relates to the methodological revolution which is slowly changing the perspective in psychology.

The Hollow fiber membrane contactor (HFMC) is an intensification process that combines membrane and absorption technologies, being a technology in expansion, so the dynamics of this process is crucial for an increase in industrial scale-up. In this manuscript a rigorous dynamic model of an HFMC is developed and simulated in Python software for the absorption of post-combustion CO2 using a monoethanolamine (MEA) solution, which was validated using available data in literature in steady state. Dynamic simulations were performed to analyze the model's capability to predict the effect of disturbances on the responses of CO2 capture ratio and loading. Four distinct experiments were conducted by step changes and pulse disturbances at the following variables: gas and liquid volumetric flow rates, CO2 composition in flue gases, and CO2 lean load. The gas phase showed a faster response compared to the liquid. The CO2 capture ratio and rich loading presented opposite responses when disturbing both liquid flows, and for the composition and lean loading variations, the capture ratio presented an inverse response characteristic, while the loading showed a delayed response. As the model proved to be capable of returning to the reference state, it can potentially be used for control studies purposes.

This paper considers a nonlinear model for population dynamics with age structure. The fertility rate with respect to age is non constant and has the form proposed by . Moreover, its multiplicative structure and the multiplicative structure of mortality makes the model separable. In this setting it is shown that the number of births in unit time is given by a system of nonlinear ordinary differential equations. The steady state solution together with the equilibrium solution is found explicitly.

Generating early warning signals of reduced resilience in ecosystems is crucial for conservation and management endeavors. However, the practical implications of such early warning signal systems are still limited by the lack of data and uncertainties associated with predicting complex systems such as ecosystems. This research aims to investigate the feasibility of developing an early warning system capable of identifying an upcoming critical transition within mangrove forest ecosystems. Using time series analysis of remote sensing images, the resilience of mangrove forests was explored across two distinct study sites. One site (Qeshm Island) has been adversely affected by land-use and land-cover changes, while the other (Gabrik) serves as a reference ecosystem. The study uses data from the Moderate Resolution Imaging Spectroradiometer (MODIS) satellite to quantify three remotely sensed indices: the Normalized Difference Vegetation Index (NDVI), the Modified Normalized Difference Water Index (MNDWI), and the Modified Vegetation Water Ratio (MVWR). In addition, Landsat data has been used to explore temporal alterations in land-use and land cover. To identify early warning signals, indicators such as autocorrelation (acf(1)), standard deviation (SD), and skewness (SK) are applied. The findings indicate a signal of reduced resilience by a significant increase in NDVI statistical metrics (acf(1): 0.50, SD: 0.9). Although MNDWI showed significant early warning signals in Qeshm Island (acf(1); 0.86, SD: 0.90), it provided a false alarm in the reference study site. MVWR failed to generate early warning signals of reduced resilience (acf(1); -0.100, SD: -0.07, SK: -0.21). Land-use land-cover change may explain reduced resilience in the forests. This study not only emphasizes the potential of remote sensing in monitoring the state of mangrove forests but also contributes to advancing our understanding of ecosystem dynamics. The findings of this study can be integrated with ecosystem management tools to enhance the effectiveness of conservation efforts aimed at safeguarding mangroves. This is the first report of the successful application of remote sensing in generating early warning signals of reduced resilience within mangrove forests in the Middle East.

Recognizing trust as a pivotal element for success within Human-Robot Collaboration (HRC) environments, this article examines its nature, exploring the different dimensions of trust, analysing the factors affecting each of them, and proposing alternatives for trust measurement. To do so, we designed an experimental procedure involving 50 participants interacting with a modified 'Inspector game' while we monitor their brain, electrodermal, respiratory, and ocular activities. This procedure allowed us to map dispositional (static individual baseline) and learned (dynamic, based on prior interactions) dimensions of trust considering both demographic and psychophysiological aspects. Our findings challenge traditional assumptions regarding the dispositional dimension of trust and establish clear evidence that the first interactions are critical for the trust-building process and the temporal evolution of trust. By identifying more significant psychophysiological features for trust detection and underscoring the importance of individualized trust assessment, this research contributes to understanding the nature of trust in HRC. Such insights are crucial for enabling more seamless human-robot interaction in collaborative environments.

Dendritic spines are essential for synaptic function because they constitute the neurons' postsynaptic compartment that receives the most excitatory input. The extracellularly shorter variant of the presynaptic cell adhesion molecules neurexins, β-neurexins, has been implicated in various aspects of synapse function including neurotransmitter release. However, its role in developing or stabilizing dendritic spines as fundamental computational units of excitatory synapses remained unclear. Here, we show by morphological analysis that the deletion of β-neurexins in hippocampal neurons in vitro and in hippocampal tissue in vivo affects presynaptic dense-core vesicles and, unexpectedly, postsynaptic spine structure. Specifically, we observed that the absence of β-neurexins led to an increase in longer spinous protrusions in vitro and more mature mushroom-type spines in the CA1 region of adult knockout mice. In addition, deletion of β-neurexins caused alterations in spine head dimension and more spines with perforations of their postsynaptic density but no change in the overall number of spines or synapses. Our results indicate that presynaptic β-neurexins play a role across the synaptic cleft, possibly by aligning with postsynaptic binding partners and glutamate receptors via transsynaptic columns.

Stratified Taylor Couette Flow (STCF) undergoes transient growth. Recent studies have shown that there exists transient amplification in the linear regime of counter-rotating STCF. It is reported that as Gr increases, the maximum amplification factor ($G_0$) initially decays before it eventually starts growing after reaching a certain critical value Gr$_{c}$. Assuming other parameters of the model are kept constant, the value Gr$_{c}$ changes with respect to different speed ratios of the cylinders. The observed decay/growth pattern of $G_0$ is attributed to the interplay between the induced shear and buoyancy. In this study, the mechanism that triggers this observed pattern is investigated. The kinetic budget of the optimal transient perturbation is analysed numerically to simulate the interaction of the shear production (SP), buoyancy production (BP) and other energy components that contributes to the total optimal transient kinetic energy. These contributions affect the total energy by influencing the perturbation to extract kinetic energy (KE) from the mean flow. The decay of $G_0$ resulted from the positive amplification of both BP and SP, while the growth is attributed to the negative and positive amplification of BP and SP, respectively. The optimal SP is positively amplified, implying that there is the possibility of constant linear growth. These findings agree with the linear growth rate for increasing values of Gr.

The automotive industry has witnessed a significant push towards increased fuel efficiency and reduced carbon emissions. Among many factors influencing overall vehicle efficiency, aerodynamic drag is a critical consideration, accounting for a substantial portion of fuel consumption. Our investigation focused on the drag coefficients of three prominent 2023 passenger car models – the Toyota Corolla, Hyundai Elantra, and Kia Soul. Using ANSYS Fluent to perform computational fluid dynamics, we demonstrated an inverse correlation between drag force and gas mileage, underlining the significance of aerodynamic design in fuel efficiency. Notably, the Hyundai Elantra emerged as the most aerodynamically efficient of the three vehicles, followed closely by the Toyota Corolla. In contrast, the boxier-designed Kia Soul exhibited significantly higher drag coefficients and drag forces, rendering it the least efficient of the trio. These findings emphasize the importance of environmental factors in car design. Shaping aerodynamic profiles directly impacts fuel efficiency, stability, and overall performance.

ATP-binding cassette (ABC) transporters, acting as cellular "pumps," facilitate solutes translocation through membranes via ATP hydrolysis. Their overexpression is closely tied to multidrug resistance (MDR), a major obstacle in chemotherapy and neurological disorder treatment, hampering drug accumulation and delivery. Extensive research has delved into the intricate interplay between ABC transporter structure, function, and potential inhibition for MDR reversal. Cryo-electron microscopy has been instrumental in unveiling structural details of various MDR-causing ABC transporters, encompassing ABCB1, ABCC1, ABCG2, as well as recently revealed ABCC3 and ABCC4 structures. The newly obtained structural insight has deepened our understanding of substrate and drug binding, translocation mechanisms, and inhibitor interactions. Given the growing body of structural information available for human MDR transporters and their associated mechanisms, we believe it is timely to compile a comprehensive review of these transporters and compare their functional mechanisms in the context of multidrug resistance. Therefore, this review primarily focuses on the structural aspects of clinically significant human ABC transporters linked to MDR, with the aim of providing valuable insights to enhance the effectiveness of MDR reversal strategies in clinical therapies.

Atomic force microscopes are used, beside their principal function as surface imaging tools, in surface manipulation and measurement of interfacial properties. In particular, they can be modified to measure lateral friction forces that occur during the sliding of the tip against the underlying substrate. However, the shape, size, and deformation of the tips profoundly affect the measurements in a manner that is difficult to predict. In this work, we investigate the contribution of these effect to the magnitude of the lateral forces during sliding. The surface substrate is chosen to be few-layer AB-stacked graphene surface whereas the tip is initially constructed from face-centered cubic gold. In order to separate the effect of deformation from shape, rigid tips of three different shapes were considered first, namely a cone, a pyramid and a hemisphere. The shape was seen to dictate all aspects of the interface during sliding, from temperature dependence to stick-slip behavior. Deformation was investigated next by comparing a rigid hemispherical tip to one of identical shape and size but with all but the top three layers of atoms free to move. The deformation, as also verified by an indentation analysis, occurs by means of the lower layers collapsing on the upper ones, thereby increasing the contact area. This collapse mitigates the friction force and decreases it with respect to the rigid tip for the same vertical distance. Finally, the size effect is studied by means of calculating the friction forces for a much larger hemispherical tip whose atoms are free to move. In this case, the deformation is found to be much smaller but the stick-slip behavior is much more clearly seen.

We investigated the prevalence and genetic diversity of Wolbachia pipientis strains in Aedes albopictus populations in Greece. Using a combination of PCR and Sanger sequencing techniques, we genotyped Wolbachia strains in 105 mosquitoes collected across eight different prefectures in 2021. We found a high prevalence of Wolbachia in both male (90%) and female (97%) mosquitoes. Among the infected samples, 84% had double infections with both wAlbA and wAlbB strains, while 16% had infections with only wAlbB. Our comparison of the Multi-Locus Sequence Typing (MLST) profile, employing gatB-coxA-hcpA-ftsZ-fbpA genotyping, revealed a single MLST profile for each wAlbA and wAlbB strain in Greek populations. The same MLST profiles were also reported in populations from China, Russia, and Argentina, suggesting low levels of global diversity in wAlbA and wAlbB strains. Furthermore, our results indicated a significant association between temperature and the prevalence of single infections (P = 6.498E-07), with higher temperatures correlating with an increased likelihood of single infections. Although male-bias showed a tendency towards single infections, the effect was marginally non-significant (P = 0.053). These results were confirmed using a bootstrap-with-replacement analysis approach. Overall, our findings offer novel insights into the distribution and species diversity of Wolbachia strains in Greek Ae. albopictus populations, emphasizing the importance of understanding the short-term plastic and adaptive responses of these organisms to environmental stressors and rapid climate change.

This study proposes a customized industrial nozzle for generating impulsive air jets. It is installed on an automatic machine where wine caps are stacked and shot consecutively into a rotating cylinder by an air jet. This process is very noisy; hence, this study aimed to investigate possible geometric variations of the nozzle that can reduce the emitted noise. First, the nozzle was tested in a laboratory to measure the air consumption at different supply pressures. Subsequently, 3D models of the nozzle and its variations were created and used for computational fluid dynamics simulations. Different boundary conditions were set, first to validate the model and compare it with the experimental test results, and then to simulate the real working conditions and determine the geometry that is less noisy while maintaining the velocity peak. Among the various possibilities, shortening the final ducts of the nozzle appears to be the most promising solution. These modified nozzles could be easily added to current machines to provide immediate benefits, and this study represents a promising start for action on other machines where this type of device is present.

Runaway electrons (RAEs) generation in high-pressure gases is an important physical phenomenon that influences significantly discharge shapes and properties of initiated plasma. The diffuse discharges formed due to RAEs in air and other gases at atmospheric pressure find wide application. In the present review, theoretical and experimental results that explain the reason for the RAEs occurrence at high pressures are analyzed and recommendations are given on the implementation of conditions under which the runaway electron beam (RAEB) with the highest current can be obtained at atmospheric pressure. Experimental results were obtained using subnanosecond, nanosecond, and submicrosecond generators, including those specially developed for runaway electron generation. The RAEB were recorded by oscilloscopes and collectors with picosecond time resolution. To describe theoretically the phenomenon of continuous electron acceleration, the method of physical kinetics has been used based on the Boltzmann kinetic equation that takes into account the minimum but sufficient number of elementary processes, including shock gas ionization and elastic electron scattering. Results of modeling allowed the main factors to be established that control the RAE appearance, the most important of which is electron scattering on neutral atoms and/or molecules. Theoretical modeling has allowed the influence of various parameters (including the voltage, pressure, gas type, and geometrical characteristics of the discharge gap) to be taken into account. The results of research presented here allow the RAEs accelerators with desirable parameters to be developed and the possibility of obtaining diffuse discharges to be accessed under various conditions. The review consists of the Introduction, 5 Sections, the Conclusion, and the References.

This cross-sectional study investigates the impact of Virtual Private Networks (VPNs) on Nigerians during the 2021 Twitter ban, prompted by the Nigerian government's suspension of Twitter operations following the deletion of a tweet by the President. The study aims to analyze the frequency and awareness of VPN and Twitter usage among Nigerians during the ban, addressing specific objectives. Employing a survey research method, data was collected from 400 respondents through online and offline questionnaires. Descriptive statistical tools were used for data analysis, revealing significant findings. Results indicate a substantial decrease in Twitter usage during the ban, with IPVanish emerging as the preferred VPN brand. The study also highlights an increase in VPN awareness post-ban, emphasizing the need for educational initiatives. The demographic analysis reveals a dominant age group of 21 to 25 among social media users. Overall, the research underscores the complex interplay between social media dynamics, VPN adoption, and demographic factors, emphasizing the importance of nuanced regulatory approaches and ongoing user education in Nigeria's online landscape.

Photophysics properties such as fluorescence quenching, and photoexcitation dynamics of bimolecular non-covalent systems consisting of cationic poly[(9,9-di(3,3’-N,N’-trimethyl-ammonium) propyl fluorenyl-2,7-diyl)-alt-co-(9,9-dioctyl-fluorenyl-2,7-diyl)] diiodide salt (PFN) and anionic graphene carboxylate (GC) have been discovered for the first time by the steady state and time-resolved femtosecond transient absorption (TA) spectroscopy with broadband capabilities. The steady-state fluorescence of PFN is quenched with high efficiency by GC acceptor. Fluorescence lifetime measurements revealed that the quenching mechanism of PFN by GC is static. Here, the quenching mechanisms are well proven by TA spectra of PFN/GC systems. For PFN/GC systems, the photo electron transfer (PET) and charge recombination (CR) processes are ultrafast (within few tens of ps) related to static interactions whereas for PFN/DCB systems the PET takes place in few hundreds ps (217.50 ps)1 suggesting diffusion-controlled PET process. In the latter case, the PFN+•-DCB-• radical ion pairs as the result of PET from the PFN to DCB are clearly resolved and they are long-lived. The slow CR process (in 30 ns time scales)1 suggest PFN+• and DCB-• may already form separated radical ion pairs through charge separation (CS) process, which recombined back to the initial state with a characteristic time constant of 30 ns. The advantage of the present positively charged polyfluorene used in this work is the control over the electrostatic interactions and electron transfers in non-covalent polyfluorene/quencher systems in DMSO solution.

Coarse-grained molecular dynamics simulations are employed to investigate spatiotemporal evolution of vesicles (polymersomes) via self-assembly of randomly distributed amphiphilic diblock copolymers in water. Vesiculation pathway consists of several intermediate structures such as spherical/rodlike aggregates, wormlike micelles, lamellae, and cavities. Lamella to vesicle transition occurs at a constant aggregation number and is accompanied by a reduction in the solvent accessible surface area. Simulation predictions are in qualitative agreement with the mechanism of vesicle formation in which the unfavorable hydrophobic interactions between water molecules and polymer segments along the edge of the lamella are eliminated at the expense of gaining curvature energy. However, rod-lamella-vesicle transition is accompanied by an increase in copolymer packing density. Hence, the change in the surface area accompanying vesiculation predicted by the simulations is significantly lower than theoretical estimates. Changes in information entropy, quantified by the expectation of the logarithm of the probability distribution function of the segmental stretch parameter s, defined as the difference between the maximum and instantaneous segmental extension, are statistically insignificant along the vesiculation pathway. For rods, lamellae and polymersomes, s follows a log normal distribution. This is explained based on the configurational dynamics of a single diblock chain in water.

We report recent enhancements of the online atomic database at the Ohio State University, NORAD-Atomic-Data, that provides various parameters for radiative and collisional atomic processes dominant in astrophysical plasma. NORAD stands for Nahar Osu RADiative. The database belongs to the data sources, especially for the latest works, of the international collaborations of the Opacity Project and the Iron Project. The contents of the database are calculated values for energies, oscillator strengths, radiative decay rates, lifetimes, cross sections for photoionization, electron-ion recombination cross sections and recombination rate coefficients. We have recently expanded NORAD-Atomic-Data with several enhancements over those reported earlier. They are as follows. i) We continue to add energy levels, transition parameters, cross sections for atoms and ions with their publications. ii) Recently added radiative atomic data contains significant amount of transition data for photo-absorption spectral features corresponding to x-ray resonance fluorescence effect, prominent wavelength regions of bio-signature elements, such as phosphorus ions, and emission bumps of heavy elements, such as of lanthanides, that may be created in a kilonova event. We are including iii) collisional data for electron-impact-excitation, iv) experimental data for energies and oscillator strengths for line formation, v) experimental cross sections for photoionization that can be applied for benchmarking and other applications, and vi) introduction of a web-based interactive feature to calculate spectral line ratios at various plasma temperature and density diagnostics, starting with our recently published data for P II. We presented summary description of theoretical backgrounds for the computed data in the earlier paper. With introduction of experimental results, we present summary description of measurement of high resolution photoionization cross sections at Advanced Light Source of LBNL synchrotron set-up and briefly discuss other set-ups. These additions should make NORAD-Atomic-Data more versatile for various applications. For brevity, we provide information on the extensions and avoid repetition of data description of the original paper.

This comprehensive research investigates the multifaceted role of integration in modern education systems, aiming to advance educational equity and inclusivity.Introduction: The introduction sets the stage by delineating the historical evolution of integration in education, highlighting pivotal milestones, and contextualizing the current discourse on fostering inclusive learning environments.Materials and methods: This section details the research design, participant selection criteria, and data collection methods. By employing a mixed-methods approach, combining surveys, interviews, and observations, the study seeks to capture the complexities of integration. Results: Presenting the results entails a meticulous examination of the impact of integration on academic outcomes and social dynamics within educational settings. Statistical analyses and qualitative insights converge to reveal the nuanced relationships between integration practices and student experiences. Discussion: The discussion section critically analyzes the findings in the context of existing literature, offering insights into the broader implications of integration. By addressing challenges and barriers identified during the study, the discussion aims to guide educators, administrators, and policymakers in navigating the complexities of integrating diverse student populations effectively. Conclusions: The concluding section synthesizes the key findings, emphasizing their significance in advancing educational equity through integration. Recommendations are made for educators, policymakers, and researchers to leverage the transformative potential of integration. The section acknowledges study limitations, calls for future research directions, and concludes with a resounding commitment to fostering an inclusive educational system that reflects the principles of equity and social justice.

Stabilization of a G-quadruplex (G4) in the promotor of the c-MYC proto-oncogene leads to inhibition of gene expression, and it thus represents a potentially attractive new strategy for cancer treatment. However, most G4 stabilizers show little selectivity among the many G4s present in the cellular complement of DNA and RNA. Intriguingly, a crescent-shaped cell-penetrating thiazole peptide, TH3, preferentially stabilizes the c-MYC G4 over other promotor G4s, but the mechanisms leading to this selective binding remain obscure. To investigate these mechanisms at the atomic level, we performed an in silico comparative investigation of the binding of TH3 and its analogue TH1 to the G4s from the promotors of c-MYC, c-KIT1, c-KIT2, and BCL2. Molecular docking and molecular dynamics simulations, combined with in-depth analyses of non-covalent interactions and bulk and per-nucleotide binding free energies, revealed that both TH3 and TH1 can induce the formation of a sandwich-like framework through stacking with both the top and bottom G-tetrads of the c-MYC G4 and the adjacent terminal capping nucleotides. This framework produces enhanced binding affinities for the c-MYC G4 relative to other promotor G4s, with TH3 exhibiting an outstanding binding priority. Van der Waals interactions were identified to be the key factor in complex formation in all cases. Collectively, our findings fully agree with available experimental data. Therefore, the identified mechanisms leading to specific binding of TH3 towards the c-MYC G4 provide valuable information to guide the development of new selective G4 stabilizers.

This article critically examines Warren Bennis's understanding of leadership, with a particular focus on the overlooked aspect of followship. While Bennis's theories have greatly influenced the leadership discourse, their limited consideration of follower perspectives raises crucial concerns. By exploring the intersection of leadership and followship, this article uncovers the gaps in Bennis's approach and emphasizes the need for a more integrative understanding of leadership dynamics. Through a comprehensive analysis of existing literature, this article aims to contribute to a more nuanced and holistic viewpoint on leadership, highlighting the importance of follower perspectives in effectively sustaining leadership excellence.

This study addresses the central question that how can a precise measurement of the gluon Parton Distribution Function (PDF) be attained, thereby enhancing our understanding of the intricate quark-gluon composition within nucleons? Through a dual approach involving Quantum Chromodynamics (QCD) and high-energy particle collisions, the research combines computational tools and experimental techniques, focusing on protons and neutrons. Scattering experiments and advanced detectors are utilized to probe nucleon structure. Theoretical frameworks like QCD equations and the Momentum Sum Rule investigate Parton Distribution Functions at specific momentum fractions and energy scales. The primary goal is to achieve an accurate measurement of the gluon PDF, crucial for unraveling strong force complexities and internal nucleon dynamics. The study's theoretical plots and equations illustrate hypothetical behaviors of gluon distribution, quark distribution, and splitting functions, contributing to a deeper understanding of fundamental particles.

This research provides a computationally efficient numerical tool for predicting 3-D turbulent flows over hydrofoils. It addresses a gap in existing numerical methods by extending the capabilities of the laminar VIScous Vorticity Equation (VISVE) solver to handle 3-D turbulent flow scenarios. The implementation integrates the k − ω SST model into the 3-D VISVE solver using the Finite Volume Method (FVM), extending its capability to handle turbulent flows. The turbulence model is also parallelized to improve computational efficiency. The application of the newly developed model to 3-D hydrofoil cases expands its scope and serves as preparatory work for future rotational propeller applications. Rigorous testing includes a convergence analysis concerning grid numbers and time step sizes, and validation against a Reynolds-Averaged Navier-Stokes (RANS) solver ensures the reliability and accuracy of the enhanced VISVE solver for turbulent flow simulations. The turbulent VISVE solver offers advantages such as reduced computational domain and costs through a vorticity-based approach. Turbulence concentration within boundary layers and free shear flows does not compromise the advantages of the small computational domain. The simplified meshing process, automatically generated by denoting the number of panels on the hydrofoil, makes the solver accessible for researchers and engineers.

Crystalline phase engineering is a prominent strategy for synergistically optimizing the sur-face-body phases of a catalyst. In this work, TiO2 nanosheets assembled into nanotubes (TNSTs) with two-phases of anatase and rutile were firstly synthesized via crystal engineering by simple thermal annealing, and subsequently loaded with Ru nanoparticles to create efficient benzene hydrogenation catalyst Ru/TNSTs. The well- designed nanosheet-tubes structure boasts large specific surface area and excellent transmission channels, which effectively prevents the ag-glomeration and deactivation of loaded Ru nanoparticles, as well as promotes the internal diffu-sion in the reaction process of benzene hydrogenation to cyclohexene. Furthermore, titanium dioxide nanosheet-tubes contain numerous Ti3+ defects, which not only improves the overall generation rate of cyclohexene, but also enhances the suppression of cyclohexene adsorption. Most importantly, the two-phases of titanium dioxide increases the ratio of the electron defi-ciencies of Ru and promotes cyclohexene desorption. These synergistic properties enhance the selectivity and efficiency of the Ru/TNSTs catalysts, resulting in excellent performance in the hydrogenation of benzene to cyclohexene. Especially the Ru/TNSTs-4 catalyst achieves a 95% in-itial selectivity and 51% yield of cyclohexene in the reaction, outperforming most supported Ru-based catalysts. This work may provide new perspectives for designing efficient benzene hydrogenation catalysts via crystalline phase engineering.

Pathogens such as bacteria, fungi and viruses are important components of soil and aquatic communities, where they can benefit from decaying and living organic matter, and may opportunistically infect human and animal hosts. One-third of human infectious diseases is constituted by sapronotic disease agents that are natural inhabitants of soil or aquatic ecosystems. They are capable of existing and reproducing in the environment outside of the host for extended periods of time. However, as ecological research on sapronosis is infrequent and epidemiological models are even rarer, very little information is currently available. Their importance is overlooked in medical and veterinary research, as well as the relationships between free environmental forms and those that are pathogenic. Here, using dynamical models in realistic aquatic metacommunity systems, we analyze sapronosis transmission, using the human pathogen Mycobacterium ulcerans that is responsible for Buruli ulcer. Our work constitutes the first set of metacommunity models of sapronotic disease transmission, and is highly flexible for adaptation to other types of sapronosis. The importance of sapronotic agents on animal and human disease burden needs better understanding and new models of sapronosis disease ecology to guide the management and prevention of this important group of pathogens.

Pharmaceutical aerosols play a key role in the treatment of lung disorders, but also systemic diseases, due to their ability to target specific areas of the respiratory system (RS). This article focuses on identifying and clarifying the influence of various factors involved in the generation of aerosol micro- and nanoparticles on their regional distribution and deposition in the RS. Attention is given to the importance of process parameters during aerosolization of liquids or powders and the role of aerosol flow dynamics in RS. The interaction of deposited particles with the fluid environment of the lung is also pointed out as an important step in the mass transfer of the drug to the RS surface. The analysis presented highlights the technical aspects of preparing the precursors to ensure that the properties of the aerosol are suitable for a given therapeutic target. Analyzing existing technical limitations, several potential strategies for enhancing the efficiency of targeted therapeutic delivery to or through the respiratory system are identified and presented, including the use of smart inhaling devices incorporating AI algorithms.

Engineering application of additively manufactured (AM) metallic materials is quite limited by their fatigue behaviors which are very inconsistent with that of conventionally wrought or cast ones. Here, based on advanced material characterization techniques, such as focused ion beam (FIB), scanning electron microscopy (SEM) and transmission electron microscopy (TEM), the mi-crostructures underneath fracture surfaces were thoroughly investigated in an AM aluminium (AlSi10Mg) alloy with horizontal and vertical building orientation endured very-high-cycle fa-tigue (VHCF) loading under stress ratios R = –1, 0 and 0.5. Two VHCF failure specimens A and B were representatively selected to further SEM examine and TEM samples preparation via FIB milling. Specimen A was horizontally printed and failed at R = –1; specimen B was vertically printed and failed at R = 0. TEM samples A1 and B1 were lifted from locations near the crack ini-tiation sites on the fracture surfaces of specimens A and B; The locations of TEM samples A2 and B2 kept away from the crack origin sites but still within the “fish-eye” region of crack steady growth. TEM observations show that there was no characteristic microstructure induced by VHCF in different oriented specimens and under various R values.

Discrete-time architectures offer a distinct advantage over their continuous counterparts, as they can be seamlessly implemented on embedded hardware without the necessity for discretization processes. Yet, because of the difficulty of ensuring Lyapunov difference expressions, their designs, which are based on quadratic Lyapunov-based frameworks, are highly complex. As a result, various existing continuous-time results using adaptive control methods to deal with system uncertainties and coupled dynamics in agents of a multiagent system cannot be directly applied to the discrete-time context. Furthermore, compared to their continuous-time equivalent, discrete-time information exchange based on periodic time intervals is more practical in the control of multiagent systems. In this paper, we first introduce a discrete-time adaptive control architecture designed for uncertain scalar multiagent systems without coupled dynamics as a preliminary result. We then introduce another discrete-time adaptive control approach for uncertain multiagent systems in the presence of coupled dynamics. Our approach incorporates observer dynamics to manage unmeasurable coupled dynamics, along with a user-assigned Laplacian matrix to induce cooperative behaviors among multiple agents. Our solution includes Lyapunov analysis with logarithmic and quadratic Lyapunov functions for guaranteeing asymptotic stability with both controllers. To demonstrate the effectiveness of the proposed control architectures, we provide an illustrative example.

Surface processes such as coatings, corrosion, photocatalysis, and tribology are greatly diversified by acid-base interaction at the surface overlayer. This study focuses on the action of metallic copper surface as an electron donor/acceptor related to inactivation of viruses; it was found that regarding Cu2O or Cu materials electrostatic interaction plays a major role in virus inactivation. We applied TPPE method to clarify the mechanism of electron transfer (ET) occurring at light irradiated copper surfaces. The TPPE characteristics was strongly influenced by the environments, which correspond to the temperature and environment dependence of the total count of emitted electrons in the incident light wavelength scan (PE total count, NT), the photothreshold, and further the activation energy (E) analyzed from Arrhenius plot of NT values obtained in the temperature-increase and subsequent temperature-decrease processes. In this study we reexamined the dependence of the TPPE data from two types of Cu metal surfaces: Sample A, which was mechanically abraded in alcohols, water, and air, and Sample C, which was only ultrasonically cleaned in these liquids. The NT for both Samples slowly increased with increasing temperature, reached a maximum (NTmax) at 250C (maximum temperature, Tmax), and after that decreased. For Sample A the NTmax value decreased in the order H2O > CH3OH > C2H5OH > (CH3)2CHOH > C3H7OH, although the last alcohol gave Tmax = 100C, while with Sample C the NTmax value decreased in the order: C3H7OH > (CH3)2CHOH > C2H5OH > CH3OH > H2O. Interestingly, both orders of the liquids were completely opposite: this means that Cu surface can possess two-way character. The NT intensity was found to be strongly associated with the change of the hydroxyl group (Cu-OH) to the oxide oxygen (O2) in the O1s spectra in the XPS measurement. The difference between the above orders was explained by the acid-base interaction mode of the Cu-OH group with the adsorbed molecule on the surfaces. The H2O adsorbed on Sample A produces the electric dipole Cu-OH+---:OH2 (--- hydrogen bond), while the C3H7OH and (CH3)2CHOH adsorbed on Sample C produce ROH+---:O(H)-Cu (R = alkyl groups). Gutmann’s acceptor number (AN) representing the basicity of the liquid molecules was found to be related to the TPPE characteristics: (CH3)2CHOH (33.5), C2H5OH (37.1), CH3OH (41.3), H2O (54.8) (the AN of C3H7OH could not be confirmed). With Sample A the values of NTmaxa and EaUp1 both increased with increasing AN (Up1 means the 1st temperature-increase process). On the other hand, with Sample C the values of NTmaxc and EcUp1 both decreased with increasing AN. These findings suggest that Sample A acts as an acid, while Sample C functions as a base. However, in the case of both types of Samples A and C the NTmax values were found to increase with increasing EUp1. It was explained that the EUp1 values depending on the liquids originate from the difference in the energy level of the hydroxyl group radical at the surface denoted. This is able to attract electrons in the neighborhood of the Fermi level of the base metal by tunnelling. After that due to Auger emission electrons are released, leading to the ET in the overlayer. These electrons are considered to have a strong ability of reducibility.

‘Inner mitochondrial membrane peptidase 2 like’ (IMMP2L) is a nuclear encoded mitochondrial peptidase that has been conserved through evolutionary history as has its target enzyme ‘mitochondrial glycerol phosphate dehydrogenase 2’ (GPD2). IMMP2L is known to cleave the mitochondrial transit peptide from GPD2 and another nuclear encoded mitochondrial respiratory related protein cytochrome C1 (CYC1). However, it is not known whether IMMP2L peptidase activates or alters the activity or respiratory related functions of GPD2 or CYC1. Previous investigations found compelling evidence of behavioural change in the Immp2lKD-/- KO mouse and in this study EchoMRI analysis found that many organs of the Immp2lKD-/- KO mouse were smaller and that the KO mouse had significantly less lean mass and overall body weight compared with wildtype littermates (p<0.05). Moreover, all of the organs analysed from the Immp2lKD-/- KO had lower relative levels of mitochondrial reactive oxygen species (mitoROS). The kidneys of the Immp2lKD-/- KO mouse displayed the greatest decrease in mitoROS levels that were over 50% less compared with wildtype litter mates. Mitochondrial respiration was also lower in the kidney of the Immp2lKD-/- KO mouse compared with other tissues when using succinate as the respiratory substrate, whereas respiration was similar to wildtype when glutamate was used as substrate. When glycerol-3-phosphate (G3P) was used as the substrate for Gpd2 we observed ~20% and ~7% respective decreases in respiration in female and male Immp2lKD-/- KO mice over time. Together these findings suggest that the respiratory related functions of mGpd2 and Cyc1 have been compromised to different degrees in different tissues in the Immp2lKD-/- KO mouse. Structural analyses using AlphaFold2-Multimer further predicted that the interaction between Cyc1 and mitochondrial encoded cytochrome b (Cyb) in Complex III had been altered as had the homodimeric structure of the mGpd2 enzyme within the inner mitochondrial membrane of the Immp2lKD-/- KO mouse. mGpd2 functions as an integral component of the glycerol phosphate shuttle (GPS) which positively regulates both mitochondrial respiration and glycolysis. Interestingly, we found that nonmitochondrial respiration (NMR) was also dramatically lowered in the Immp2lKD-/- KO mouse. Primary mouse embryonic fibroblast (MEF) cell lines derived from the Immp2lKD-/- KO mouse displayed a ~27% decrease in total respiration comprised of a ~50% decrease in NMR and a ~12% decrease in total mitochondrial respiration where the latter was consistent with the decreases in substrate specific mitochondrial respiration reported here. This study is the first to report the role of Immp2l in enhancing Gpd2 structure and function, mitochondrial respiration, nonmitochondrial respiration, organ size and homeostasis.

An approach based on the OpenFOAM library has been developed to solve a high-speed, multicomponent mixture of a reacting, compressible flow. This work presents comprehensive validation of the newly developed solver called compressibleCentralReactingFoam with different supersonic flows, including shocks, expansion waves, and turbulence-combustion interaction. The comparisons of the simulation results with experimental and computational data confirm the fidelity of this solver for problems involving multicomponent high-speed reactive flows. The gas dynamics of turbulence-chemistry interaction are modeled using a partially-stirred reactor formulation and provide promising results to better understand the complex physics involved in supersonic combustors. A time-scale analysis based on local Damköhler numbers reveals different regimes of turbulent combustion. In the core of the jet flow, the Damköhler number is relatively high indicating that the reaction time scale is smaller than the turbulent mixing time scale. This means that the combustion is controlled by turbulent mixing. In the shear layer, where the heat release rate and the scalar dissipation rate have the highest value, the flame is stabilized due to finite rate chemistry with small Damköhler numbers and a high fraction of fine structure. This solver allows three-dimensional gas dynamic simulation of high-speed multicomponent reactive flows relevant to practical combustion applications.

Gradual disability worsening in Multiple Sclerosis (MS) is indicative of confirmed progression that mostly involves progression independent of relapse activity (PIRA) and is associated with neurodegeneration. Insights from pathology reveal grey matter involvement (neocortex, hippocampus, spinal cord, and deep grey matter structures) and microglia activation in early stages of MS. Cortical lesions result in thinning and atrophy and are considered accurate predictors of disability progression and cognitive decline.Neuroimaging biomarkers, such as high-resolution 7T MR images and TSPO-PET, have been examined for the detection of cortical pathology linked to cognitive deficits and thus progression, but are limited in clinical practice due to availability, time constraints, and cost.Electroencephalography (EEG) emerges as a non-invasive, cost-effective tool that reflects cortical activity in MS. Its potential in monitoring cognitive impairment is explored by focusing on nonlinear EEG analysis. The MuST PREDICT^TM project aims to extract linear and nonlinear EEG features, investigating their role in predicting disease progression and optimizing treatment. The study employs retrospective, cross-sectional, and prospective designs, utilizing EEGs from various MS forms, cognitive assessments, serum/cerebrospinal fluid biomarkers and neuroimaging. The methodology involves time-based and spectral feature extraction, employing artificial intelligence classifiers and brain criticality-based approaches.The conceptual framework of an innovative modality is herein presented, that would EEG for early MS progression detection. Standardization of the methodology could lead to the creation of a digital tool for better prognostication and treatment strategy optimization.

This research presents a novel Customised Load Adaptive Framework (CLAF) for fault classifica-tion in Induction Motors (IMs), utilizing the Machinery Fault Prevention Technology (MFPT) Bearing Dataset. CLAF represents a pioneering approach that extends traditional fault classification methodologies by accounting for load variations and dataset customization. Through a meticulous two-phase process, it unveils load-dependent fault subclasses that have not been readily identified in traditional approaches. Additionally, new classes are created to accommodate the dataset's unique characteristics. Phase 1 involves the exploration of load-dependent patterns in time and frequency domain features using one-way Analysis of Variance (ANOVA) ranking and validation via bagged tree classifiers. In Phase 2, CLAF is applied to identify mild, moderate, and severe load-dependent fault subclasses through optimal Continuous Wavelet Transform (CWT) selection through Wavelet Singular Entropy (WSE) and CWT energy analysis. The results are compelling, with a 96.3% classification accuracy achieved when employing a wide neural network to classify proposed load-dependent fault subclasses. This underscores the practical value of CLAF in en-hancing fault diagnosis in IMs and its future potential in advancing IM condition monitoring.

A proposed interpretation of the characteristics and causes of the variation in science dynamics for technological evolution is described. The theoretical approach focuses on variability in research topics that guide scientific and technological evolution. Statistical method verifies the proposed approach by applying entropy, measures of dispersion and variance decomposition. The statistical evidence, using data of four main research fields in quantum technologies, suggests the following empirical properties: a) the growth of heterogeneity in research topics is inversely proportional to the age of research fields: recent research fields have a higher variability between topics with uncertainty in evolutionary dynamics, whereas older research fields have a lower variability and more concentration in specific research topics with stable evolution towards clear directions; b) the nature of research fields has a systematic effects in variability guiding the evolution of technologies. The theoretical approach and findings clarify main characteristics and causes of the evolution of science and technologies considering the underlying homogeneity or heterogeneity in research topics, providing main implications to improve the scientific and technological forecasting that may support appropriate R&D investments towards promising research fields and technologies

Detailed description of carbonate minerals different in magnesium content of Triassic dolomites were presented in this article. The tests were carried out to determine geochemical and miner-alogical features in the terms of their geoengineering properties. The following carbonate phas-es were identified: a low-Mg calcite, a high-Mg calcite, a proto-dolomite, an ordered dolomite and a huntite. The following research methods were used: microscopic analysis, X-Ray Diffrac-tion, X-Ray Fluorescence and Electron probe microanalysis. The samples were collected from the Tarnowice formation which is the lower part the profile of the Upper Muschelkalk. On the basis of the results the chemical formulas of carbonate phases were calculated. The ranges of Mg and Ca content were presented in formulas. The results indicate of Mg in low-Mg calcite ranges from 0.6 to 1.2%, in high-Mg calcite from 7.47 to 10.41%. In proto-dolomite it ranges from 10.96 to 11.78%. In ordered dolomite Mg content is stoichiometric value for dolomite – 13.18%. Due to the reduced Mg content in identified huntite (the value ranges from 13.62% to 17.76), this carbonate phase was named as de-huntite.

The effects of anisotropic properties (wettability and roughness) on microgroove surfaces in pool boiling heat transfer using Novec-7100 as a working fluid were experimentally investigated. The idea of introducing the concept of anisotropic wettability in boiling experiments draws inspiration from biphilic surfaces. The investigation is also motivated by two-phase immersion cooling, which involves phase-change heat transfer by using dielectric liquid as a working fluid. Very few studies have focused on the effects of surfaces with anisotropic properties on boiling performance. Thus, this study aims to examine the pool boiling heat transfer performance on surfaces with microgroove-induced anisotropic properties under the saturation condition. A femtosecond laser–texturing method was employed to create microgroove surfaces with different groove spacing. The results indicated that anisotropic properties affected the heat transfer coefficient and critical heat flux. Relative to the plain surface, microgroove surfaces enhanced the heat transfer performance due to the increased number of bubble nucleation sites and higher bubble detachment frequency. An analysis of bubble dynamics under different surface conditions was conducted with the assistance of high-speed images. The microgroove surface with groove spacing of 100 μm maximally increased the BHTC by 37% compared to the plain surface. Finally, the CHF results derived from experiments were compared with related empirical correlations. Good agreement was achieved between the results and the prediction correlation.

Robots in space are necessarily extremely light and lack structural stiffness resulting in natural frequencies of resonance so low as to reside inside the attitude controller’s bandwidth. A variety of input trajectories can be used to drive a controller’s attempt to ameliorate the control-structural interactions where feedback is provided by low-quality, noisy sensors. Traditionally, step functions are used as the ideal input trajectory. However, step functions are not ideal in many applications, as they are discontinuous. Alternative input trajectories are explored in this manuscript and applied to an example system that includes a flexible appendage attached to a rigid main body. The main body is controlled by a reaction wheel. The equations of motion of the flexible appendage, rigid body, and reaction wheel are derived. A feedback controller is developed to account for the rigid body modes. Additional filters are added to compensate for the system’s flexible modes. Sinusoidal trajectories are autonomously generated to feed the controller. Whiplash compensation is additionally implemented for comparison. The control method without random errors with the smallest error is the sinusoidal trajectory method, which showed a 97.39% improvement when compared to the baseline response when step trajectories were commanded, while the sinusoidal method was inferior to traditional step trajectories when sensor noise and random errors were present.

Recently, more wind turbine systems are being installed in deep waters far from the coast. Several concepts of floating wind turbine systems (FWTSs) are developed, among which the semisubmersible platform, due to its applicability in different water depths, good hydrodynamic performance, and facility in the installation process, constitutes the most explored technology compared to the others. However, a significant obstacle to the industrialization of this technology is a design of a cost-effective FWTS, which can be achieved by optimizing the geometry, size and weight of the floating platform, along with the mooring system. This is only possible by selecting a method capable of accurately analyzing the FWTS coupled hydro-aero-structural dynamics at each design stage. Accordingly, this paper aims at providing a detailed overview of the most common coupled numerical and physical methods, including their basic assumptions, formulations, limitations, and costs, used for analyzing the dynamics of FWTSs, mainly those supported by a semisubmersible, to assist the choice of the most suitable method at each design phase of FWTSs. Finally, the article discusses possible future research to address challenges in modeling FWTSs dynamics that persist to date.

This work deals with the analysis of phase composition of sintered Ti-Al-C composite materials under high voltage electrical discharge. The samples of Ti-Al-C powder composites were tested by SEM, Raman spectroscopy and XRD. It was determined that the treatment of the powder by high voltage electrical discharge (HVED) and further sintering at high temperatures using the method of spark plasma sintering (SPS) encourages the formation of the intermetallic reinforcing phases, carbides and different nanocarbon structures like graphene and fullerenes, as well as pure graphite. Intermetallic phases and nanocarbon structures improve mechanical and physical properties of the composites. By using experimental methods mentioned above, the phase composition of Ti-Al-C powder composites obtained at different sintering temperatures was determined.

Prediabetes, a pivotal phase in glucose metabolism between normalcy and diabetes, exerts a profound influence on the aging process and the risk of age-related diseases. This comprehensive review delves into the intricate web of blood-based biomarkers that collectively expedite senescence, marking the transition from a state of health to age-related complications. Key findings underscore the significance of diverse biomarkers, such as telomere length, p16INK4a, senescence-associated secretory phenotype (SASP) factors, DNA methylation clocks, advanced glycation end products (AGEs), inflammatory and oxidative stress markers, circulating hormones, and additional factors like folate, B12, osteocalcin, and more. Not only do these biomarkers serve as indicators of senescence, but they actively fuel chronic inflammation, oxidative stress, and metabolic dysregulation, all of which contribute to accelerated aging. The implications of this understanding are profound, as prediabetes emerges as a critical period in an individual's life, influencing various physiological systems, including the vascular and neural systems, metabolic functions, hormonal regulation, and bone health. Recognizing the profound influence of prediabetes on senescence provides a foundation for personalized intervention strategies to mitigate age-related complications and promote healthy aging. Future research directions call for a more diverse array of biomarkers, in-depth exploration of their roles, and the development of tailored precision medicine strategies to ensure a holistic understanding and effective management of prediabetes-induced senescence and its implications for aging. This knowledge has far-reaching implications for public health and clinical practice, emphasizing the need for early detection and intervention in prediabetic individuals to enhance the quality of life in an aging population with diverse needs.

The phenomenon of droplet impact on moving surfaces is widely observed in fields such as transportation, rotating machinery, and inkjet printing. Droplets exhibit non-axisymmetric behavior due to the motion of solid surfaces which significantly determines core parameters such as contact time, maximum spreading radius, and bounding velocity, thereby affecting the efficiency of related applications. In this study, we focus on kinetics and morphology of the non-axisymmetric bouncing behaviors for droplets impacting on a moving superhydrophobic surface (SHPS) within the normal (Wen) and tangential (Wet) Weber numbers. Considering the influences of moving surface on the contact area and contact time, the previous scaling formula for the horizontal velocity of droplets has been improved. Based on the velocity superposition hypothesis, we establish a theoretical model for the ratio of the maximum spreading radius at both ends depending on Wen and Wet. This research provides both experimental and theoretical evidence for understanding and controlling the non-axisymmetric behavior of droplets impacting on moving surfaces.

Recently, considerable work has been directed at development of a ultra-compact X-ray free-electron laser based on emerging techniques in high field cryogenic acceleration, with attendant dramatic improvements in electron beam brightness, and state-of-the-art concepts in beam dynamics, magnetic undulators, and X-ray optics. A full conceptual design of a 1 nm XFEL with a length and cost over an order of magnitude below current XFELs has resulted from this effort. This instrument has been developed with an emphasis on permitting exploratory scientific research in a wide variety of fields in a university setting. Concurrently, compact FELs are being urgently developed for use as an instrument to enable next generation chip manufacturing through use as a high flux, few-nm lithography source. This new role suggests consideration of XFELs to addressed urgently emerging demands in this sector, as identified by recent national need studies, for new radiation sources aimed at chip manufacturing: a coherent hard X-ray source which enables frontier metrology methods. Indeed, it has been shown that one may use coherent X-rays to perform 10 nm-class resolution surveys of macroscopic, cm-scale structures such as chips, using ptychographic laminography. As the XFEL is a very promising candidate for realizing such methods, we present here an analysis of the issues and likely solutions associated with extending the UCXFEL to harder X-rays (above 7 keV), much higher fluxes and levels of coherence, and methods of applying such a source for ptychographic laminography to micro-electronic device measurements. We discuss the development path to move the concept to rapid realization of a transformative FEL-based application, outlining FEL and metrology system challenges.

Molecular dynamics (MD) simulations present a sophisticated nano-scale computational approach that can play a critical role in material design for next generation batteries. One critical piece of information needed for MD simulations is the non-bonded potential parameters, which can be obtained through quantum mechanics (QM) calculations or experimental methods. However, experimental data is not available for exploratory and novel materials to derive the potential parameters. Also, the QM approach needs significant computational power and is too time consuming for large systems. On the other hand, current Artificial Intelligence techniques are faster, but they cannot be generalized across molecules and properties. As a result, there is a significant barrier to discovering and exploring new materials. Overcoming this barrier, in this work, we propose a Machine Learning (ML) based technique that can learn inter-atomic potential parameters for various particle-particle interactions employing QM calculations. This ML model can be used as an alternative for QM calculations for predicting non-bonded interactions in a computationally efficient manner. Using these parameters as input to MD simulations, we can predict a diverse range of properties, enabling researchers to design new and novel materials suitable for various applications in the absence of experimental data. We employ our ML-based technique to learn the Buckingham potential, a non-bonded interatomic potential. Subsequently, we utilize these predicted values to compute the densities of four distinct molecules, achieving an accuracy exceeding 93%. This serves as a strong demonstration of the efficacy of our proposed approach.

To estimate the progressive collapse resistance capacity of a multi-column frame tube structure with the assembled truss beam composite floor (ATBCF), the pushdown analysis, and the nonlinear dynamic analysis as well, are conducted for such a structure by using the alternate load path (ALP) method. The bearing capacities of the remaining structures at three different work conditions, which are the side middle column failure, the edge middle column failure, and the corner column failure, are individually studied, and the collapse mechanism for the remaining structures is analyzed from the aspects of the internal force redistribution and the failure mode of the second defense line. Simultaneously, the influence of the column failure time on the dynamic response of the remaining structure and the dynamic amplification coefficient are discussed. The results show that the residual bearing capacity of the remaining structure with the bottom corner column failure is higher than that of the one with the side or edge middle column failure, while the latter has a stronger plastic deformation capacity. When the ALP method is adopted to operate the progressive collapse analysis, it is reasonable to take the column failure time as 0.1 times of the first-order vertical vibration period of the remaining structure, and it is suitable to set the dynamic amplification coefficient as of 2.0, which is the ratio of the maximum dynamic displacement to the static displacement of the remaining structure under the transient loading condition.

Studying the dynamics of urban form means questioning the processes of evolution of the form in general. The discussion on the architecture of buildings and urban spaces has drawn the concept of adaptation from the theories of natural evolution. These notes propose a reflection on the opposite concept of exaptation proposed by the biologist and paleontologist Stephen Jay Gould in 1982. Through some examples (some different transformations of the Roman amphitheaters of the imperial age and the metamorphoses that occurred to the Chinese urban fabrics, originally made by courtyard houses, in the contemporary city), it is possible to extend to urban form the idea of casual co-optation for new uses of organs and anatomical parts developed for other reasons. This kind of reflections opens up innovative considerations on the potential of transitional urban analysis and its repercussions on evolutive urban transformation processes.

When the formation flying consists of satellites that are independent from each other and forms a virtual synthetic aperture telescope that replaces a single large telescope with all of its optical elements it is required mutual coordination between the satellites with high accuracy in order to achieve good optical observations. In this paper we consider the problem of developing a control system for a tetrahedral satellite formation flying representing a synthetic aperture telescope in the geostationary orbit for high resolution monitoring of fire in the forest area in infrared spectrum. Synthesizing the image with good quality requires to keep the configuration of formation with µm-class accuracy. Study of dynamics of passive uncontrolled motion of formation flying showed a significant deviation of the configuration from the required shape with a high frequency due to the action of gravitational forces. To keep the configuration in the required form with µm accuracy the analysis of efficiency of various controllers was carried out in the process of numerical simulation. The simulation results made it possible to highlight the features of using various approaches to the development of control system for the satellite formation flying representing a synthetic aperture telescope.

The aeroelastic response of lightweight low-speed aircraft with slender wings under extreme flow turbulence intensity is not well-understood. Experiments on a commmercial unmanned aerial vehicle (UAV) with a 3-meter wingspan and aspect ratio of 13.6 were performed in a large open-return wind tunnel with extreme flow turbulence intensity of T∞≈10%. The structural dynamics of the wing in the bending mode and the flow beneath the wing to capture the effect of aileron deflection was measured using laser displacement sensors and tomographic particle image velocimetry (PIV) techniques. The unsteady lift produced by the wing was also measured using a high-capacity load cell at an angle of attack, α of 2 degrees for three freestream velocities U∞ of 13.4 m/s, 17.9 m/s, and 26.8 m/s representing the UAV’s stall through cruise speed. It was found that high flow turbulence intensity with large integral length scales relative to the wing chord plays a dominant role in the large unsteady lift and wing displacements measured. The power spectral density (PSD) of wing structural vibration shows that flow shedding from the wing and the integral length scales have a significant impact on the overall power inherent in the bending vibration of the wing. Computation of vorticity iso-surfaces in the flow measurement volume surrounding the aileron reveal a striking observation; aileron deflection, δa of 10∘becomes less effective in producing additional spanwise vorticity, which is proportional to circulation and lift, at U∞ of 26.8 m/s because the freestream already has elevated levels of vorticity. A paradigm shift in design is suggested for light aircraft structures with slender wings operating in highly turbulent flow, which is to employ multiple control surfaces in order to respond to this flow and mitigate large bending or torsion displacements and the probability of structural failure.

Small submersible drainage pumps discharge leaking water and rainwater in buildings. In an emergency (e.g., heavy rain or accident), monitoring the flow rate in advance is necessary to enable optimal operation, considering the point where the pump operates abnormally when the water level increases rapidly. In another, pump performance optimization is crucial for energy saving policy. Therefore, it is necessary to meet the challenges of submersible pump systems, including sustainability and pump efficiency. The final goal of this study is to develop an energy-saving, high-efficiency submersible drainage pump capable of responding to emergencies. In particular, this paper targeted the hydraulic performance improvement of a submersible drainage pump model. Before the development of driving mode-related technology capable of emergency response, we first tried to find a way to improve the performance characteristics of the existing submersible drainage pump. Rather than designing a new pump, we disassembled the current pump and reverse engineering. Then, numerical simulation was performed to analyze the flow characteristics and efficiency of the pump. Then, the pump test was carried out to obtain the performance and validated with numerical results. Results revealed that changing the cross-sectional shape of the impeller reduced the flow separation and enhanced velocity and pressure distributions. Also, it reduced the power and increased efficiency. Results also showed that the pump's efficiency increased to 5.56% at a discharge rate of 0.17 m3/min, and overall average efficiency increased to 6.53%. In addition, the submersible pump design method could be suitable for the optimized pump's impeller and casing numerically. This paper can provide insight and information on the design optimization of pumps.

In our previous work, we demonstrated the potential of the amphiphilic cyclic peptide [W4R4] as a promising antimicrobial agent. The extensive data accumulated on the antimicrobial activity of this peptide and its homologs presented an opportunity to unravel the molecular mechanisms governing their action and establish crucial structure-activity relationships (SAR). To achieve this, we employed a comprehensive approach involving peptide synthesis, in vitro biological testing, and molecular modeling to systematically analyze the SAR of a series of cyclic peptides derived from the [W4R4] scaffold. Minimal modifications were introduced to the original peptide by incorporating either one aromatic hydrophobic residue (W) or one polar positively charged residue (R) while maintaining the sequential W/R arrangement. Additionally, we introduced an "intermediate" substitution by incorporating 2,5-diketopiperazine (DKP), possessing both aromatic and polar properties, into the macrocycle [W4R4] between the W and R residues. Notably, this study marked the first synthesis and evaluation of the [W4R4(DKP)] peptide. Structural, dynamic, hydrophobic, and membrane-binding properties of four cyclic peptides ([W4R4], [W5R4], [W4R5], [W4R4(DKP)]) were explored using molecular dynamics simulations within a DOPC/DOPG lipid bilayer that mimics the bacterial membrane. The results obtained revealed distinct SAR profiles for all peptides, enabling the establishment of correlations between their antimicrobial activity and structural/dynamic parameters. These parameters included the degree of conformational plasticity, the depth of immersion into the bi-layer, and the population of the membrane binding mode characterized by the embedding of the hydrophobic peptide pattern into the acyl chain region of lipids. In particular, the peptide [W4R5] exhibited an optimal "activity/binding to the bacterial membrane" pattern. This work highlights the significance of our multidisciplinary approach in efficiently deciphering finely regulated SAR profiles for a series of homologous peptides with diverse activities. Furthermore, this research provides a solid foundation for the rational design of novel antimicrobial peptides.

Tropical sea surface temperature (SST) variability, mainly driven by the El Niño–Southern Oscillation (ENSO), influences the atmospheric circulation and hence the transport of heat and chemical species in both the troposphere and stratosphere. This paper uses Met Office, ERA5 and MERRA2 reanalysis data to examine the impact of SST variability on the dynamics of the polar stratosphere and ozone layer over the period 1980 to 2020. Particular attention is paid to studying the differences in the influence of different types of ENSO (East Pacific (EP) and Central Pacific (CP)) for the El Niño and La Niña phases. It is shown that during the EP El Niño, the zonal wind weakens more strongly and changes direction more often than during the EP El Niño, and the CP El Niño leads to a more rapid decay of the polar vortex (PV), an increase in stratospheric air temperature and an increase in the concentration and total column ozone than during EP El Niño. For the CP La Niña, the PV is more stable, which often leads to a significant decrease in Arctic ozone. During EP La Niña, powerful sudden stratospheric warmings are often observed, which lead to the destruction of PV and an increase in column ozone.

Epitaxial lithium ferrite (LiFe5O8) films with different thicknesses have been successfully fabricated on SrTiO3 (001) substrates by magnetron sputtering deposition technique. The microstructural and magnetic properties are characterized by advanced transmission electron microscope and magnetic measurement device. It was found that the formation of structural defects can be influenced by the thickness of the film. Apart from the misfit dislocations, the orientation domains form in thinner film and twin boundaries appear in thicker film, respectively, contributing to the misfit strain relaxation in the heterosystem. The magnetic measurement shows that the thinner films have enhanced magnetization and a relatively lower coercive field compared with the thicker films containing the antiferromagnetic twin boundaries. Our results provide a way for tuning the microstructure and magnetic properties of lithium ferrite films by changing the film thickness.

Redox-flow batteries are rechargeable batteries that store energy in two liquid electrolytes, separated by a membrane. During charging and discharging, the electrolytes flow through the membrane and undergo chemical reactions that generate or consume electrical energy. These batteries are known for their scalability and long cycle life and are versatile energy storage technologies developed to enhance efficiency and lower costs. Deep Eutectic Solvents (DES) are eco-friendly alternatives to traditional electrolytes, and their properties have been studied to improve the performance of redox-flow batteries. We investigated choline chloride/ethylene glycol (ChlCl/Eg) mixtures with LiPF6 salt at four concentrations through experimental and MD simulations. The thermophysical and transport properties of the mixture, including density, diffusion coefficient, viscosity, and ionic conductivity, were calculated across a temperature range of 298.15–398.5 K. Our findings indicate that an increase in salt concentration leads to a decrease in diffusion coefficients and ionic conductivity, while increasing the viscosity of the deep eutectic solvent. This research provides valuable insights into the behavior of DES mixtures and can aid in the design and optimization of DES-based processes for use in redox-flow batteries.

Point-contact spectroscopy has been performed on bulk samples of electron-doped high temperature superconductor Nd2-xCexCuO4-. The samples were characterized by X-ray diffraction and scanning electron microscopy equipped with a wavelength dispersive spectrometer and an electron backscatter diffraction detector. The samples with a Ce content x = 0.15, show the absence of spurious phases and randomly oriented grains, most of which have dimensions of approximately 220 µm2. The low-bias spectra in the tunnelling regime, i.e., high transparency interface, exhibit a gap feature at about ±5 meV and no zero-bias conductance, consistent with the most literature data on oriented samples. The high-bias conductance has also been measured in order to obtain information on the properties of the barrier. A V-shape has been in some cases observed, instead of the parabolic behavior expected for tunnel junctions.

The possibility of a shock wave recovery at a discrete closed interface with a heated gas has been investigated. A two-dimensional model applied to conditions of optical discharges featuring spherical, elliptical, and drop-like configurations demonstrated that non-symmetry in the shock refraction contributes to the specific mechanism of recovery other than simply its compensation. Even though the full restoration of the hypersonic flow state doesn’t occur in a strict sense of it, clear reverse changes toward the initial shape of the shock front eventually take place, thus creating an appearance of a full recovery seen in experiments. From analysis for different interfaces symmetries, the factors determining the recovery dynamics are identified. The results are directly applicable to the problem of energy deposition into a hypersonic flow, however it can be useful anywhere else where the flow modifications following the interaction are important. The dimensionless form of the equations allows applications on any scale other than that demonstrated for the optical discharges.

Drug nanosuspensions offer a promising approach to improve bioavailability for poorly soluble drug candidates. Such formulations often necessitate the inclusion of an excipient to stabilize the drug nanoparticles. However, a rationale to choose the correct excipient for a given drug candidate remains unclear. To gain molecular insight into formulation design, this work first utilizes molecular dynamics simulation to computationally investigate drug-excipient interactions for a number of combinations that have been previously studied experimentally. We find that hydrophobic interactions drive excipient adsorption to drug nanoparticles, and that the fraction of polar surface area serves as a predictor for experimental measurements of nanosuspension stability. To test these ideas prospectively, we applied our model to an uncharacterized drug compound, GDC-0810. Our simulations predicted that salt forms of GDC-0810 would lead to more stable nanosuspensions than the neutral form; therefore, we tested the stability of salt GDC-0810 nanosuspensions and found that the salt form readily formed nanosuspensions even without excipient. To avoid computationally expensive simulations in the future, we extended our model by showing that simple, two-dimensional properties of the single drug molecule can be used to rationalize nanosuspension design without simulation. In all, our work demonstrates how computational tools can provide molecular insight into drug-excipient interactions, and aid in rational formulation design.

The new coronavirus SARS-CoV-2 is the cause of the COVID-19 pandemic, which has created an incomparable global health problem. PLpro is a key protein involved in viral polyprotein processing and immune system evasion, making it a prime target for the development of antiviral drugs to combat COVID-19. The review begins by elucidating the functional and structural properties of SARS-CoV-2 PLpro, underscoring its significance in viral pathogenicity and replication. Employing homology modeling, a tertiary structure model of PLpro is constructed, laying the groundwork for subsequent investigations. To expedite the search for potential therapeutic candidates, the study harnesses computational methodologies. Molecular docking techniques are employed to explore binding sites for antiviral drugs within the catalytic region of PLpro. This computational approach not only aids in drug development but also provides crucial preliminary data before experimental research commences. The stability of drug-PLpro complexes is assessed through comprehensive all-atom molecular dynamics (MD) simulations, affording dynamic insights into drug-PLpro interactions. By evaluating binding energy estimates from MD simulations, stable drug-PLpro complexes with potential antiviral properties are identified. However, it is emphasized that experimental validation is imperative to confirm these computational findings, necessitating in vitro and in vivo tests to assess safety and efficacy. This pivotal stage bridges the computational realm with real-world clinical applications. The review emphasizes the imperative need for enhancements in the existing PLpro-targeting drugs currently on the market. Their actions are insufficient for clinical use and necessitate thorough characterization and improvement. The Supervised Molecular Dynamics (SuMD) simulation technique reveals critical information about drug unbinding pathways, shedding light on opportunities for refinement. In addition to optimizing existing drugs, the investigation of sub-structurally similar molecules emerges as a promising avenue for drug development. In conclusion, the review underscores the pivotal role of targeting SARS-CoV-2 PLpro in the ongoing battle against COVID-19. By integrating molecular dynamics simulations, structural modeling, and computational insights, a robust foundation is established for identifying promising antiviral drug candidates. The continual need for improvement in existing drugs and the exploration of novel compounds remain paramount in the global effort to combat COVID-19. The evolution and management of COVID-19 hinge on the symbiotic relationship between computational insights and experimental validation, illustrating the interdisciplinary synergy crucial to this endeavor.

Copper-nitride (Cu3N) semiconductor material is attracting much attention as a potential, next-generation thin-film solar-light absorber in solar cells. In this communication, polycrystalline Cu3N thin films were prepared using reactive-RF-magnetron-sputtering deposition, at room temperature, onto glass and silicon substrates. The very-broadband optical properties of the Cu3N thin film layers were studied by UV-MIR (0.2-40 μm) ellipsometry and optical transmission, to be able to achieve the goal of a low-cost absorber material to replace the conventional silicon. The reactive-RF-sputtered Cu3N films were also investigated by focused ion beam scanning electron microscopy, and both FTIR and Raman spectroscopies.

This study aims at relating the microstructural arrangement, in particular the symmetry materialised by filament sequencing in fused filament fabrication process on mechanical behaviour of printed polyamide. Dogbone structures are printed using various printing temperatures, which are combined with part orientation and raster angle that represent the in-plane and out-of-plane symmetrical arrangement of filament. Mechanical testing is conducted on both as-received filaments and printed structures to derive the effect of filament arrangement symmetry and process-generated defects on mechanical loss. In addition, microstructural analysis using scanning electron microscopy is used to share more light on the filament arrangement and their consequence on deformation mechanisms with respect to the printing conditions. The results show that 3D printed polyamide-based material exhibit remarkable tensile performance with strain stiffening behaviour and large elongation at break thanks to particular filament layout. Among the considered printing conditions, the part orientation is found to have the largest influence on tensile behaviour, which modulates the behaviour from complete restoration of the filament performance to mechanical loss.

Curcumin, a major constituent of turmeric, has beneficial effects against several diseases. In cystic fibrosis (CF), this compound potentiates the activity of a number of cystic fibrosis transmembrane conductance regulator (CFTR) mutants. Despite holding promise in the treatment of CF, the curcumin binding site in CFTR and the molecular mechanism of activation of this channel are still unknown. The results of the study, based on docking and molecular dynamics (MD) simulations, allow to propose that curcumin binds the closed ATP-free CFTR near the NBD1/ ICl1/ICl4 interface. The bound ligand, once approached by NBD2 during transient channel opening, lays at a multiple interdomain cross point. Thereafter, curcumin can bridge NBD1 and NBD2, and also ICL1/ICL4 and ICL2/ICL3 finally tightening the same interdomain interactions that normally uphold the active conformation in the wild type ATP-bound CFTR. The proposed binding site is compatible with biochemical observations made in previous CFTR-curcumin interaction studies. These findings provide the framework for the design of novel drugs that activate CFTR mutants characterized by defects in ATP binding and/or NBD dimerization, or even lacking NBD2.

This paper describes developing and analyzing an analytical model of Microelectromechanical Systems (MEMS) internal vibrating ring gyroscope. The internal ring structure consists of eight semicircular beams attached to the externally placed anchors. The paper analyses the vibrating ring gyroscope inplane displacement behavior and the resulting elliptical vibrational modes. The elliptical vibrational modes appear as pairs with the same resonance frequency due to the symmetric nature of the design. The analysis commences by conceptualizing the ring as a geometric structure with a circular shape, possessing specific dimensions such as thickness, height, and radius. We construct a linear model that characterizes the vibrational dynamics of the internal vibrating ring. The analysis encompasses comprehensive mathematical formulations for the radial and tangential displacements in local polar coordinates, considering the inextensional displacement of the ring structure. By utilizing the derived equations, we highlight the underlying relationships driving the vibrational characteristics of the MEMS vibrating ring gyroscope. These dynamic vibrational relationships are essential in enabling the vibrating ring gyroscope's future utilization in accurate navigation and motion sensing technologies.

Cryo electron microscopy (cryo-EM) instrumentation allows obtaining 3D reconstruction of the structure of biomolecular complexes in vitro (purified complexes studied by single particle analysis) and in situ (complexes studied in cells by cryo electron tomography). Standard cryo-EM approaches allow high-resolution reconstruction of only a few conformational states of a molecular complex, as they rely on data classification into a given number of classes to increase the resolution of the reconstruction from a few, most populated classes and discard all other classes. Such discrete-classification approaches result in a partial picture of the full conformational variability of the complex, due to continuous conformational transitions with many, uncountable intermediate states. In this article, we present the software with user-friendly graphical interface for running two recently introduced methods, namely MDSPACE and MDTOMO, to obtain continuous conformational landscapes of biomolecules by analyzing in vitro and in situ cryo-EM data (single particle images and subtomograms) based on molecular dynamics simulations of an available atomic model of one of the conformations. The MDSPACE and MDTOMO software is part of the open-source ContinuousFlex package, which can be run as a plugin of the Scipion software package, broadly used in the cryo-EM field.

The population parameters of the ecologically important mud shrimp Upogebia major were analyzed from 2012 to 2015 in tidal flats in Seonjaedo and Jugyo on the West coast of Korea. The shrimp density averaged 265/m2 in Seonjaedo and 118/m2 in Jugyo. The sex ratio varied monthly, often male-biased, but by size, males were significantly dominant, with a carapace length (CL) over 30 mm. Although the shrimp settled almost annually, only a single size-group was observed from 2012 to 2014. The recruitment in Jugyo in 2014 was notably successful, resulting in two cohorts persisting until 2015. Many shrimp were parasitized at varying local rates: 6.0% in Seonjaedo and 37.1% in Jugyo. The growth curves revealed that the shrimp grew annually after settlement, reaching CLs of 11.90, 18.24, and 23.02 mm in Seonjaedo and 13.73, 20.86, and 25.82 mm in Jugyo. Annual mortality was 77.2% in Seonjaedo and 67.4% in Jugyo. The estimated lifespan (tmax) was 10 years in Seonjaedo and 8 years in Jugyo, whereas the 2010 cohort in Jugyo largely disappeared in 5 years. Ovigerous females appeared from November to June and benthic juveniles between June and September. The shrimp’s growth was slower relative to other East Asian populations, likely due to colder sea water temperatures and altered food conditions from a higher shrimp density.

We propose a silviculture with a purely biological logic that takes soil into account. The article is divided into three parts: 1) presentation of the issue in the context of biodiversity and forest pro-tection; 2) impact of the soil functioning on forestry; 3) possible implementation of soil functioning in forestry practice, to support and protect a non-or minimally anthropized evolution of the forest. The first chapter illustrates the importance of the forest for the future of the planet and our human species, referring to recently published works on the topic of climate warming and biodiversity. The second illustrates the aspects that link soil dynamics to the silvogenetic cycle, focusing on the humipedon (organic and organo-mineral surface horizons, approximately the first 30 cm of forest soil), and more significant carbon storage in old forests since up to 2/3 is found in the soil. In the third chapter we consider the possibility of lengthening the forestry cycle, to allow the return of nutrients to the soil. Theoretical graphs and distribution models of the number of trees as a func-tion of diameter and age are reported, with examples of logging in uneven Alpine forests, with reference to Swiss fir-beech forests published on the Pro-Silva website.

This paper investigates the dynamic stability of public debt and its solvency condition on the face of crises periods (1980-2021) in a sample of 11-euro area countries. The focus is on the feedback loop between dynamic stability of public debt and interest rates, discounted by the economic growth, in conjunction with budget deficits during tranquil and turbulent periods. Using the GMM panel dynamic model, the results show that dynamic stability was the case before the global financial crisis (GFC), while from GFC to pandemic, dynamic instability prevailed on the evolution of public debt. Moreover, dynamic instability exerted a highly persistent effect on the evolution of debt. Furthermore, panel threshold estimates show that dynamic instability of debt starts to violate the solvency condition when the borrowing cost is above 3.29%, becomes even stronger when it is above 4.39% and exerts even more pressure when the level of debt is greater than 91%. However, the debt sustainability condition reverses course when economic growth is higher than 3.4%. The main policy implication drawn from the results is that low interest rates can create a self-reinforcing loop of high debt, which is an issue for further research.

In its prefusion state, the SARS-CoV-2 Spike protein (similarly to other class I viral fusion proteins) is metastable, which is considered to be an important feature for optimizing or regulating their functions. After the binding process of its S1 subunit (S1) with the ACE2, the Spike protein (S) suffers a dramatic conformational change where S1 splits from the S2 subunit, which then penetrates the membrane of the host cell, promoting the fusion of the viral and cell membranes. This results in the infection of the host cell. In a previous work, we showed -using large scale molecular dynamics simulations- that the application of external electric fields (EF) induces drastic changes and damage in the receptor-binding domain (RBD) of the wild type Spike protein, as well of the Alpha, Beta and Gamma variants, leaving a structure which cannot be recognized any more by ACE2. In this work, we first extend the study to the Delta and Omicron variants and confirm the high sensitivity and extreme vulnerability of S to moderate EF (as weak as 104 V m-1), but, more importantly, we also show that, in contrast, the postfusion state of the spike protein does not suffer structural damage even if electric field intensities four orders of magnitude higher are applied. These results provide a solid scientific basis to confirm the prefusion state metastability roots of the SARS-CoV-2 Spike protein susceptibility to be damaged by EF. After the virus docks to the ACE2 receptor, the stable and robust postfusion conformation develops, which exhibits a similar resistance to EF (damage threshold higher than 108 V m-1) like most globular proteins.

The complexity of modern power grids, exacerbated by integrating diverse energy sources, espe-cially inverter-based resources (IBRs), presents a significant challenge to grid operation and plan-ning since linear models fail to capture the intricate IBR dynamics. This study employs the Sparse Identification of Nonlinear Dynamics (SINDy) method to bridge the gap between theoretical un-derstanding and practical implementation in power system analysis. It introduces the novel Volterra-based Nonlinearity Index (VNI) to examine system-level nonlinearity comprehensively. The distinction of dynamics into first-order linearizable terms, second-order nonlinear dynamics, and third-order noise elucidates the intricacy of power systems. The findings demonstrate a fundamental shift in system dynamics as power sources transit to IBRs, revealing system-level nonlinearity compared to module-level nonlinearity in conventional syn-chronous generators. The VNI quantifies nonlinear-to-linear relationships, enriching our comprehension of power system behavior and offering a versatile tool for distinguishing between different nonlinearities and visualizing their distinct patterns through the proposed VIN profile.