Basic Research Research Articles

Fabrication of covalently bonded MoS2–graphene heterostructures with different organic linkers

Achieving stable and reliable 2D-2D van der Waals heterostructures remains challenging. The broadest strategy for synthesizing these heterostructures is growth or manually stacking one material on top of the other, yet it is inefficient. Here, we present a strategy for synthesizing covalently bonded MoS2-graphene heterostructures using organic linkers with two anchor sites at a low cost. Our covalent heterostructures exhibit a more homogeneously alternating structure than the corresponding randomly alternating structure of vdW heterostructures, as confirmed by surface-enhanced Raman spectroscopy (SERS) measurements. Moreover, different linkers can be used to adjust the interlayer distance between graphene and MoS2, leading to significant impacts on their optical and electrochemical properties, including Photoluminescence (PL), cyclic voltammetry (CV), Ultraviolet-visible spectroscopy (UV-Vis), and SERS. Our strategy offers opportunities to advance fundamental research and enable the practical application of 2D/2D van der Waals heterostructures in various fields, including optoelectronics, energy storage, and catalysis.

GSRF-DTI: a framework for drug-target interaction prediction based on a drug-target pair network and representation learning on a large graph

BackgroundIdentification of potential drug-target interactions (DTIs) with high accuracy is a key step in drug discovery and repositioning, especially concerning specific drug targets. Traditional experimental methods for identifying the DTIs are arduous, time-intensive, and financially burdensome. In addition, robust computational methods have been developed for predicting the DTIs and are widely applied in drug discovery research. However, advancing more precise algorithms for predicting DTIs is essential to meet the stringent standards demanded by drug discovery.ResultsWe proposed a novel method called GSRF-DTI, which integrates networks with a deep learning algorithm to identify DTIs. Firstly, GSRF-DTI learned the embedding representation of drugs and targets by integrating multiple drug association information and target association information, respectively. Then, GSRF-DTI considered the influence of drug-target pair (DTP) association on DTI prediction to construct a drug-target pair network (DTP-NET). Next, we utilized GraphSAGE on DTP-NET to learn the potential features of the network and applied random forest (RF) to predict the DTIs. Furthermore, we conducted ablation experiments to validate the necessity of integrating different types of network features for identifying DTIs. It is worth noting that GSRF-DTI proposed three novel DTIs.ConclusionsGSRF-DTI not only considered the influence of the interaction relationship between drug and target but also considered the impact of DTP association relationship on DTI prediction. We initially use GraphSAGE to aggregate the neighbor information of nodes for better identification. Experimental analysis on Luo’s dataset and the newly constructed dataset revealed that the GSRF-DTI framework outperformed several state-of-the-art methods significantly.

Pressure-dependent band gap engineering with structural, electronic, mechanical, optical, and thermal properties of CsPbBr3: first-principles calculations.

In the renewable industry, pressure-dependent CsPbBr3 perovskite has a lot of potential due to its exceptional properties. Present work revealed the mechanical stability of CsPbBr3 between 0 to 50GPa. The bandgap of unstressed CsPbBr3 is 2.90eV, indicating a direct bandgap. Band gap values decrease by increasing external pressure. CsPbBr3 structure showed a direct band gap from 0 to 35GPa and in-direct from 40 to 50GPa. The unit cell volume and lattice constants are substantially decreased. Mechanical parameters, i.e., Young's modulus, bulk modulus, anisotropy factor, shear modulus, and poison's ratio are obtained. Under ambient conditions, the mechanical properties of CsPbBr3 showed ductile behavior and with induced pressure, their ductility has significantly improved. By applying stresses ranging from 0 to 50GPa, the considerable fluctuation in values of dielectric function (imaginary and real), absorption, reflectivity, loss function, refractive index (imaginary and real), and conductivity (imaginary and real), was also identified. When pressure rises, the optical parameters increase and drag in the direction of high energies. Response functions are used to predict the density of states and the phonon lattice dispersion to study the phonon properties. By using the quasi-harmonic Debye model, the thermal effect on the free energy, entropy, enthalpy, and heat capacity were predicted and compared. These results would be useful for theoretical research and indicate how external pressure significantly affects the physical characteristics of CsPbBr3 perovskites, which may open up new possibilities for use in optoelectronic, photonic, and solar cell applications. The structural, electrical, mechanical, optical, and thermal properties of cesium lead bromide (CsPbBr3) are investigated by applying external pressure from 0 to 50GPa, using generalized gradient approximations (GGA) and Perdew-Burke-Ernzerhof (PBE) with CASTEP code built-in material studio by density functional theory (DFT).

Anomalous flocking in nonpolar granular Brownian vibrators

Using Brownian vibrators, we investigated the structures and dynamics of quasi-2d granular materials, with packing fractions (ϕ) ranging from 0.111 to 0.832. Our observations revealed a remarkable large-scale flocking behavior in hard granular disk systems, encompassing four distinct phases: granular fluid, flocking fluid, poly-crystal, and crystal. Anomalous flocking emerges at ϕ = 0.317, coinciding with a peak in local density fluctuations, and ceased at ϕ = 0.713 as the system transitioned into a poly-crystal state. The poly-crystal and crystal phases resembled equilibrium hard disks, while the granular and flocking fluids differed significantly from equilibrium systems and previous experiments involving uniformly driven spheres. This disparity suggests that collective motion arises from a competition controlled by volume fraction, involving an active force and an effective attractive interaction resulting from inelastic particle collisions. Remarkably, these findings align with recent theoretical research on the flocking motion of spherical active particles without alignment mechanisms.

Accelerating Anhydrous Proton Transport in Covalent Organic Frameworks: Pore Chemistry and its Impacts

AbstractProton conduction is important in both fundamental research and technological development. Here we report designed synthesis of crystalline porous covalent organic frameworks as a new platform for high‐rate anhydrous proton conduction. By developing nanochannels with different topologies as proton pathways and loading neat phosphoric acid to construct robust proton carrier networks in the pores, we found that pore topology is crucial for proton conduction. Its effect on increasing proton conductivity is in an exponential mode other than linear fashion, endowing the materials with exceptional proton conductivities exceeding 10−2 S cm−1 over a broad range of temperature and a low activation energy barrier down to 0.24 eV. Remarkably, the pore size controls conduction mechanism, where mesopores promote proton conduction via a fast‐hopping mechanism, while micropores follow a sluggish vehicle process. Notably, decreasing phosphoric acid loading content drastically reduces proton conductivity and greatly increases activation energy barrier, emphasizing the pivotal role of well‐developed proton carrier network in proton transport. These findings and insights unveil a new general and transformative guidance for designing porous framework materials and systems for high‐rate ion conduction, energy storage, and energy conversion.

The Transformation of Media Vis-À-Vis the Transformation of Society in Kosovo During the Period Of 1990-2020

The aim of this paper is to study the transformation of media vis-a-vis the transformation of society in Kosovo during the period of 1990-2020, as a common and completely inevitable journey either from one side or the other. Seeing communication as one of the key segments, we see how this transformation both mediatic and social has developed within the last three decades, which have an extraordinary interconnectivity and history. The methodology of this paper will be the qualitative methodology, where we will do theoretical research on the progress of this transformation, both mediatic and social. This paper is based on literature research by local and international authors and experts, the collection and analysis of data related to mediatic and social transformation. Using the case of Kosovo as a study, and also the different periods within three decades of the great transformation that has taken place in this society, we see how the mediatic transformation is also developed from lack to excess of information and also to technological development. This study contributes to the literature on “mediatic transformation vis-a-vis social transformation in Kosovo during the period of 1990-2020”, demonstrating significant effects for an equally important period of time.

Assessing the potential of camera traps for estimating activity pattern compared to collar‐mounted activity sensors: a case study on Eurasian lynx Lynx lynx in south‐eastern Norway

The diel activity patterns of animals convey information about physiology, ecological niches and animal behaviour relevant for both applied conservation and more theoretical research. However, these patterns are challenging to study in the field. The current gold‐standard approach to quantify movements and activity patterns of medium to large wildlife species is to use global positioning systems (GPS) collars equipped with activity sensors (e.g. accelerometers). A more recent approach consists of inferring activity patterns from the time‐stamped pictures of wildlife obtained from camera traps now routinely used in wildlife monitoring projects. However, few studies have attempted to validate estimates of activity patterns obtained from camera traps against those obtained from activity sensors. In this study, we compared the diel activity pattern of the Eurasian lynx Lynx lynx inferred from detections by a network of over 300 camera traps active between 2010 and 2020, to activity patterns obtained from 18 GPS‐collared lynx (8 females, 10 males) equipped with 2‐axis accelerometer sensors, in the same area of southern Norway. Our results suggest that camera traps can be used to estimate diel activity curves that are comparable to those obtained from accelerometers. In our study, 75 detections were sufficient to approximate the diel activity pattern obtained from accelerometer. Subsampling indicated that a low number of detections results in a coarser approximation of the diel activity pattern.

LOW CONCENTRATING PHOTOVOLTAIC GEOMETRY FOR RETROFITTING ONTO EUROPEAN BUILDING STOCK

Abstract The most appropriate Low Concentrating Photovoltaic (LCPV) technology suitable for European buildings located in mid-high latitudes under both maritime and continental climatic conditions has been identified as the Asymmetric Compound Parabolic Concentrator (ACPC). To date there is no published experimental data at different latitudes on the long-term performance of these systems at these latitudes nor how location would modify the optical characteristics of deployed systems. Previous theoretical research by the authors has demonstrated the superiority of the ACPC with this additional work experimentally confirming the robustness of the design. To investigate how seasonal and locational variations affect their measured technical performance 2 identical ACPC-LCPVs were installed, instrumented and monitored at two different climatic locations (Uxbridge, UK, and Vevey, Switzerland) from May 2020 to September 2020. A valid comparative performance investigation characterizing two geometrically equivalent ACPC based LCPV systems using real-life experimental data collected is presented in this paper. Locations at higher latitudes experience greater transverse angles more frequently compared to locations nearer the equator making ACPC geometries more appropriate than symmetrical concentrator configurations for building retrofit. This is shown in this paper over a latitudinal expanse of 31.35° for 4 separate locations; Tessalit (20.19° N, 1.00° E; Mali), Timimoun (28.03° N, 1.65° E; Algeria), Uxbridge (51.54° N, 0.48° E, UK) and Vevey (46.6° N, 6.84° E, Switzerland).

IPR Protection and Sustainable Economic Growth: Domestic R&D Level and International R&D Trade Cooperation Perspective

Based on theoretical analysis and research hypotheses, this study uses unbalanced panel data from 107 countries from 2008 to 2020 to empirically analyze the impact of intellectual property rights protection (IPRP) on sustainable economic growth (SEG). The results demonstrate that IPRP promotes SEG directly and indirectly by enhancing the accumulation of knowledge capital through domestic R&D and international R&D trade cooperation. Technological progress reduces the positive impact of IPRP on domestic R&D but amplifies the effect of domestic R&D on SEG. Furthermore, political stability enhances the positive effects of IPRP on international R&D trade cooperation and SEG. This research provides empirical evidence for the role of IPRP in sustainable development and offers policy insights for governments worldwide.

A compact electron beam ion source for highly charged ion experiments at large-scale user facilities

Abstract Probing and manipulating of 2D materials and their heterostructures using slow highly charged ions (HCIs) is currently a hot topic due to the ultimate surface sensitivity of electronic sputtering with profound implications for fundamental research and technological applications. To study surface modifications without the complications of sample transport from ion irradiation to complex microscopic or spectroscopic analysis tools, the development of compact and thus portable ion sources is essential. In this paper we present the first results of the Electron Beam Ion Source - Compact version 1 (EBIS-C1), a novel and highly compact source for highly charged ions manufactured by D.I.S Germany GmbH. The main focus of this paper is to demonstrate the suitability of the EBIS-C1 as an ideal source for ion scattering experiments at surfaces and at gas/liquid jet targets by presenting the first charge state spectra of extracted neon, argon and xenon ions. The results highlight the potential of this portable EBIS to become a versatile platform for the study of HCI-surface interactions, allowing investigations to be carried out at user terminals in different laboratory environments.

Duffy Antigen Receptor for Chemokines (DARC) Nanodisc-Based Biosensor for Detection of Staphylococcal Bicomponent Pore-Forming Leukocidins.

Staphylococcus aureus (S. aureus) is an opportunistic infectious pathogen, which causes a high mortality rate during bloodstream infections. The early detection of virulent strains in patients' blood samples is of medical interest for rapid diagnosis. The main virulent factors identified in patient isolates include leukocidins that bind to specific membrane receptors and lyse immune cells and erythrocytes. Duffy antigen receptor for chemokines (DARC) on the surface of specific cells is a main target of leukocidins such as gamma-hemolysin AB (HlgAB) and leukocidin ED (LukED). Among them, HlgAB is a conserved and critical leukocidin that binds to DARC and forms pores on the cell membranes, leading to cell lysis. Current methods are based on ELISA or bacterial culture, which takes hours to days. For detecting HlgAB with faster response and higher sensitivity, we developed a biosensor that combines single-walled carbon nanotube field effect transistors (swCNT-FETs) with immobilized DARC receptors as biosensing elements. DARC was purified from a bacterial expression system and successfully reconstituted into nanodiscs that preserve binding capability for HlgAB. Dynamic light scattering (DLS) and scanning electron microscopy (SEM) showed an increase of the DARC-containing nanodisc size in the presence of HlgAB, indicating the formation of HlgAB prepore or pore complexes. We demonstrate that this sensor can specifically detect the leukocidins HlgA and HlgAB in a quantitative manner within the dynamic range of 1 fM to 100 pM with an LOD of 0.122 fM and an LOQ of 0.441 fM. The sensor was challenged with human serum spiked with HlgAB as simulated clinical samples. After dilution for decreasing nonspecific binding, it selectively detected the toxin with a similar detection range and apparent dissociation constant as in the buffer. This biosensor was demonstrated with remarkable sensitivity to detect HlgAB rapidly and has the potential as a tool for fundamental research and clinical applications, although this sensor cannot differentiate between HlgAB and LukED as both have the same receptor.

Pedagogical conditions for improving the natural science education of students – future teachers at the stage of post-non-classical science

The article is devoted to the problem of natural science education of pedagogical university students in the context of the transition of fundamental science to a new paradigm. The article substantiates the key role of natural science education in the formation of the worldview of humanities students and the scientific style of thinking. The article presents the main provisions of the post-non-classical worldview, highlights the main differences between the non-classical and post-non-classical paradigms, and characterizes the stages of students mastering the basics of the post-non-classical paradigm. The authors put forward pedagogical conditions for the natural science education of students – future teachers in the context of a change in the fundamental scientific paradigm: the selection of the content of the studied material and bringing it into line with the conclusions of post-non-classical science, and a cultural approach that allows you to see all education through the prism of the concept of culture, all branches of which are interconnected. In the course of work on the topic, theoretical research methods (theoretical analysis of literature and generalization of pedagogical experience) and empirical methods (observation, questioning and conversation).

Advanced Manufacturing Techniques in Aerospace Engineering

A significant change in the design, production, and integration of aircraft systems and components has been brought about by advanced manufacturing techniques in aerospace engineering. These methods, which include a variety of cutting-edge procedures and technological advancements, are revolutionizing the aerospace sector by improving the effectiveness, dependability, and performance of airplanes and spacecraft. This article provides a thorough review of the influence of advanced manufacturing methods on the high-stakes area of aerospace engineering by delving into the fundamental definitions, evolution, importance, research gaps, and present significance of these techniques.

Structured electrons with chiral mass and charge.

Chirality is a phenomenon with widespread relevance in fundamental physics, material science, chemistry, optics, and spectroscopy. In this work, we show that a free electron can be converted by the field cycles of laser light into a right-handed or left-handed coil of mass and charge. In contrast to phase-vortex beams, our electrons maintained a flat de Broglie wave but obtained their chirality from the shape of their expectation value in space and time. Measurements of wave function densities by attosecond gating revealed the three-dimensional shape of coils and double coils with left-handed or right-handed pitch. Engineered elementary particles with such or related chiral geometries should be useful for applications in chiral sensing, free-electron quantum optics, particle physics or electron microscopy.

Ligand-Directed Labeling of the Adenosine A1 Receptor in Living Cells.

The study of protein function and dynamics in their native cellular environment is essential for progressing fundamental science. To overcome the requirement of genetic modification of the protein or the limitations of dissociable fluorescent ligands, ligand-directed (LD) chemistry has most recently emerged as a complementary, bioorthogonal approach for labeling native proteins. Here, we describe the rational design, development, and application of the first ligand-directed chemistry approach for labeling the A1AR in living cells. We pharmacologically demonstrate covalent labeling of A1AR expressed in living cells while the orthosteric binding site remains available. The probes were imaged using confocal microscopy and fluorescence correlation spectroscopy to study A1AR localization and dynamics in living cells. Additionally, the probes allowed visualization of the specific localization of A1ARs endogenously expressed in dorsal root ganglion (DRG) neurons. LD probes developed here hold promise for illuminating ligand-binding, receptor signaling, and trafficking of the A1AR in more physiologically relevant environments.

Аналіз впливу на прохідність автобронетанкової техніки конструктивних факторів та методика її збільшення шляхом автоматичного регулювання тиску повітря в шинах коліс

The purpose of the study is to analyze and determine the influence of various factors on the patency of armored vehicles (AMT) operated by the National Guard of Ukraine. Determination of the change in patency during the movement of AMT in different road and climatic conditions. Analysis of static and dynamic loads, which are characteristic of AMT movement over rough terrain, and their impact on the efficiency of the vehicle. The theoretical component of the study was carried out using mathematical modeling of the work process of regulating the air pressure in tires of AMT wheels, using the example of changes in the characteristics of adhesion coefficients with the supporting surface and rolling resistance depending on the change in pressure and load on the tires of the wheels when the AMT is moving off-road. As a result of mathematical modeling, the dependences of air pressure in tires of AMT wheels were obtained, depending on the coefficient of rolling resistance and the load on each of the wheels. Which, in turn, makes it possible to move to a sufficiently complete mathematical modeling of the movement of AMT on off-road, taking into account the reference cross-country ability. In the process of theoretical research, the structural parameters of the impact on the patency of AMT were analyzed quite completely, and a generalized comparative indicator of the patency parameters of vehicles was proposed. When analyzing it, it was found that the AMT tire and, specifically, the change in air pressure in it, have a significant impact on the bearing capacity. The authors propose to use the following evaluation criteria as criteria for assessing the efficiency of the passability when driving on deformable surfaces: a generalized comparative indicator of the parameters of the passability of vehicles. As a result of consideration of which, a significant influence on the patency parameters of the tires and directly the air pressure in them was established. Regulation and change of the air pressure in the tires of the wheels depending on the change in the coefficient of rolling resistance as well as the change in the load on each wheel, which are the ratio of the work that is spent on the traction force when overcoming different degrees of heaviness of the resistance of the supporting surfaces with the effect of deformation. And the load that falls on each of the AMT wheels allowed us to draw conclusions about the improvement of the regular tire pressure regulation system (RPRS) of the wheels.

Current State of Targeted Therapy in Adult Langerhans Cell Histiocytosis and Erdheim-Chester Disease.

The mitogen-activated protein kinase (MAPK) pathway is a key driver in many histiocytic disorders, including Langerhans cell histiocytosis (LCH) and Erdheim-Chester disease (ECD). This has led to successful and promising treatment with targeted therapies, including BRAF inhibitors and MEK inhibitors. Additional novel inhibitors have also demonstrated encouraging results. Nevertheless, there are several problems concerning targeted therapy that need to be addressed. These include, among others, incomplete responsiveness and the emergence of resistance to BRAF inhibition as observed in other BRAF-mutant malignancies. Drug resistance and relapse after treatment interruption remain problems with current targeted therapies. Targeted therapy does not seem to eradicate the mutated clone, leading to inevitable relapes, which is a huge challenge for the future. More fundamental research and clinical trials are needed to address these issues and to develop improved targeted therapies that can overcome resistance and achieve long-lasting remissions.

First-principles calculation to investigate phase transition and associated changes in electronic, excitonic, and optical behavior of RbMgH3 perovskite polymorphs

Motivated by recent experimental and theoretical research on the ability to store and release hydrogen from a hydride perovskite with a large ionic character called RbMgH3, we conducted a study using density functional theory (DFT) to investigate the optoelectronic behavior of RbMgH3 in both Cubic and Hexagonal structures, as well as its phase transition.Our findings reveal that RbMgH3 exhibits an indirect band gap of 2.41 eV in the Hexagonal phase and a direct band gap of 2.15 eV in the Cubic phase. Additionally, we calculated the Gibbs energy to predict the occurrence of the phase transition. It was determined that RbMgH3 undergoes a structural transformation from Cubic to Hexagonal at a pressure of 1.78 GPa. This transition has the potential to enhance the storage kinetics of hydrogen, making RbMgH3 suitable for various applications.

Edible CO2-Responsive Wormlike Micelles with Docosahexaenoic Acid.

Due to their unique microstructure and modifiable rheological properties, wormlike micelles that respond to environmental stimulation have garnered significant interest in recent years. Among them, CO2-responsive wormlike micelles have the advantages of simple preparation and controllable properties, which have significant development potential in the food chemistry field of thickeners. In this study, CO2-responsive wormlike micelles were prepared using docosahexaenoic acid (DHA), pyridoxamine (PA), and glucosamine (GA); the stimulus-responsive behaviors and mechanisms of the two systems, namely, NaDHA/PA and NaDHA/GA, were investigated using dynamic light scattering (DLS) and cryo-transmission electron microscopy (Cryo-TEM). The nearly unaltered viscosity of the systems confirmed the cyclic reversibility of the CO2 response of the two systems when the two mixed solutions were converted back to aqueous liquids 10 times. The preparation and properties of DHA-based CO2-responsive wormlike micelles are expected to advance fundamental research and establish the theoretical groundwork for their practical application in controllable thickening agents in food chemistry.

Six years of high-resolution climatic data collected along an elevation gradient in the Italian Alps

The complex meso- and microclimatic heterogeneity inherent to mountainous regions, driven by both topographic and biotic factors, and the lack of observations, poses significant challenges to using climate models to predict and understand impacts at various scales. We present here a six-year dataset (2017–2022) of continuous climatic measurements collected at five elevations from 983 m to 2705 m above sea level in the Val Mazia - Matschertal valley in the Italian Alps. The measurements include the air temperature, relative humidity, wind speed and direction, solar radiation, soil properties, precipitation, and snow height. Collected within the European Long-Term Ecological Research program (LTER), this dataset is freely available in an open access repository. The time series may be valuable for the validation of regional climate models, atmospheric exchange modelling, and providing support for hydrological models and remote sensing products in mountain environments. Additionally, our data may be useful for research on the influence of elevation on ecological processes such as vegetation growth, plant composition, and soil biology. Beyond its utility in advancing such fundamental research, meteorological monitoring data contribute to informed socio-political decisions on climate adaptation strategies, land management, and water resource planning, enhancing the safety and resilience of mountain communities and biodiversity.