Crystal structures of simple metals and binary alloy phases based on the face-centered cubic (fcc) structure are analyzed within the model of Fermi sphere – Brillouin zone interactions to understand the stability of original cubic structure and derivative structures with distortions, superlattices and vacancies. Examination of the Brillouin-Jones configuration in relation to the nearly-free electron Fermi sphere for several representative phases reveals significance of the electron energy contribution to the phase stability. Representation of complex structures in the reciprocal space clarifies their relationship to the basic cubic cell.

With the rapid development of the Internet industry, the problem of information overload has arisen due to the abundance of information available online. Recommendation algorithms, as the core of recommendation systems, have been attracting much attention and are a hot topic of research for many experts and scholars. The classical recommendation algorithms are mainly divided into three major categories: collaborative filtering recommendation algorithms, content-based recommendation algorithms, and hybrid-based recommendation algorithms. Although these algorithms are widely used in various fields, with the proliferation of information, these traditional recommendation algorithms are no longer able to meet the needs of the times. To address this issue, recommendation systems have been developed to provide users with personalized and relevant information or products. Despite the wide use of recommendation algorithms, such as collaborative filtering, content-based filtering, and hybrid approaches, traditional recommendation algorithms have limitations and are no longer suitable for meeting the demands of the times. This paper proposes a new recommendation algorithm, SFRRG, that fuses structure and feature information in graph neural networks to improve the performance of the recommendation system in rating prediction. The effectiveness of the proposed algorithm is demonstrated through experiments on various data sets and compared with existing recommendation algorithms.

The groundbreaking Advanced Forest-Based Tagging Framework (AFTF) represents a paradigm shift in the domain of information extraction from medical texts. AFTF introduces a novel dual-binary tree structure that redefines how entity-relation triples are extracted. This innovative approach directly tackles the limitations of traditional linear and graph-based methods, effectively addressing challenges related to overlapping triples and computational efficiency. The AFTF model stands as a beacon of excellence, surpassing established baselines by significant margins in comprehensive evaluations on two pivotal medical datasets. Notably, AFTF achieves remarkable improvements in F1 scores, showcasing its prowess in accurate information extraction from complex medical narratives. Beyond its exceptional performance in the medical domain, AFTF exhibits remarkable versatility. This adaptability is vividly demonstrated through its robust performance across three diverse public datasets, further affirming its position as a versatile and reliable solution for information extraction tasks. This paper provides a comprehensive exposition of the AFTF architecture, shedding light on its innovative design principles and its efficient handling of intricate medical texts. AFTF represents a groundbreaking step forward in the realm of information extraction, promising enhanced accuracy, efficiency, and adaptability for a wide range of applications.

Shape Memory Alloy (SMA) have emerged as a revolutionary material that holds the potential to change the design and construction methods of buildings and other structures. One of the most promising applications of SMAs in civil engineering is their use as reinforcements for steel structures. This paper presents the latest research progress, opportunities and challenges of SMA in the field of steel structural reinforcement, both in terms of basic components and applications. In terms of components, the construction forms and working mechanisms of Fe-SMA strips, SMA/CFRP composite patches and SMA dampers are introduced. On this basis, the application of SMA in steel structures reinforcement is introduced, and its effect is analyzed from three aspects: crack restoration, seismic retrofitting and structural strengthening. Finally, the results of the current research are summarized and the shortcomings are analyzed, hoping to provide a reference for the research of SMA in the field of steel structures reinforcement.

The popularity and development of social media has made it more and more convenient to spread rumors, and it has become especially important to detect rumor information from massive amounts of information. Most of the traditional rumor detection methods use content characteristics or propagation structure to mine rumor characteristics, ignoring the fusion characteristics of content and structure and their interaction characteristics. Therefore, a novel rumor detection method based on heterogeneous convolutional networks is proposed. Firstly, this paper constructs a heterogeneous map of joint rumor content and propagation structure to explore the interaction between content and propagation structure during rumor propagation and obtain rumor representation. On that basis, this paper uses the deep residual graph convolutional neural network to construct the content and structure interaction information of the current network propagation model. Finally, this paper uses the two datasets of Twitter15 and Twitter16 to verify the proposed method. Experimental results show that the proposed method has higher detection accuracy than the traditional rumor detection method.

Various efforts have been made to detect minimum value of glucose in any medium like water or body buffer solutions with high-sensitivity, accurate, and low-cost sensors in order to enhance life style. Therefore, the present study was done to investigate reliability of two-dimensional plasmonic structure by circular dichroism (CD) and ellipsometry tools in different concentrations of glucose. Our results confirmed a dependency of the CD signal on glucose concentrations and also a very good sensitivity based on the phase difference between each polarization in ellipsometry parameters with the help of an achiral plasmonic structure.

Biomimetic materials are substances that replicate natural structures. There are several methods for producing such materials with highly developed surfaces from a wide range of polymers, but electrospinning is of particular interest due to its simplicity of implementation and the ability to modify the produced fibrous materials resembling structures found in living organisms. This study explores new biomimetic materials based on polyhydroxyalkanoates, specifically poly-3-hydroxybutyrate, modified with chlorophyll derivatives. The research investigates the impact of chlorophyll derivatives on the morphology, supramolecular structure, and key properties of nonwoven materials. The obtained results are of interest for the development of new biomimetic environmentally friendly materials for biomedicine with special properties.

Core-shell structured magnetic nanoparticles combine hard and a soft phases to improve energy efficiency. The mutual interaction of the two phases can lead to the exchange spring effect leading to higher magnetic energy. In this regard, synthesis of Nd2Fe14B based core-shell structured powders have proven to be elusive due to the relatively reactive nature of this phase. In this study, a process has been established for successfully coating the surface of Nd2Fe14B powders with FeCo layer using galvanic displacement method. Initially, a binary phase magnetic powder was synthesized containing Nd2Fe14B and Nd2Fe17 phase. Subsequently, the powders were coated using a Co precursor at 303 K. During coating the metastable Nd2Fe17 phase was dissolved and the Fe ions were released into the solution. Subsequently, the Fe ions deposited together with the Co ions on the surface of Nd2Fe14B powder to form a FeCo shell. The deposited layer thickness and composition was confirmed using TEM analysis.

Aluminum is a strategic mineral resource, and China’s aluminum production and consumption is fairly large. However, its supply guarantee is uncertain because of a high dependency on external raw materials. This uncertainty may expand, so finding a way to reduce the uncertainty of aluminum resource supply is especially important. This paper applies the SFA method to analyze the aluminum flows in mainland China from 1996 to 2014, and establishes a supply structure model to measure its supply guarantee degree. The results claim that: (1) China’s aluminum production can satisfy demand and even create a surplus; (2) Domestic self-productive primary and secondary aluminum increased at an annual rate of 12% and 24%; (3) The proportion of self-productive secondary aluminum in the supply structure increased from 7.7% in 1996 to 12.8% in 2014, while that of primary aluminum decreased from 79.6% to 42.8%; (4) The total supply guarantee degree decreased from 87.3% to 55.6% in this period. These results provide a feasible way to solve this plight: the proportion of secondary aluminum in the supply structure should be enhanced, and an efficient aluminum resource recycling system needs to be established as soon as possible to ensure its sustainable supply.

The herd effect is a common phenomenon in social society. The detection of this phenomenon is of great significance in many tasks based on social network analysis such as recommendation. However, the research on social network and natural language processing seldom focuses on this issue. In this paper, we propose an unsupervised data mining method to detect herding in social networks. Taking shopping review as an example, our algorithm can identify other reviews which are affected by some previous reviews and detect a herd effect chain. From the overall perspective, the cross effects of all views form the herd effect graph. This algorithm can be widely used in various social network analysis methods through graph structure, which provides new useful features for many tasks.

The discovery of first ATP-binding cassette (ABC) transporter, whose overexpression in cancer cells is responsible for exporting anticancer drugs out of tumor cells, initiated enormous efforts to overcome tumor cell multidrug resistance (MDR) by inhibition of ABC-transporter. Because of its many physiological functions, diverse studies have been conducted on the mechanism, function and regulation of this important group of transmembrane transport proteins. In this review, we will focus on the structural aspects of this transporter superfamily. Since the resolution revolution of electron microscope, experimentally solved structures increased rapidly. A summary of the structures available and an overview of recent structure-based studies are provided. More specifically, the artificial intelligence (AI)-based predictions from AlphaFold 2 will be discussed.

Three new cembranoids (1–3) and a new casbanoid (4), along with three known analogues (5–7), have been isolated from the soft coral Sinularia nanolobata collected off Ximao Island. The structures including the absolute configurations of new compounds were established by extensive spectro-scopic data analysis, time-dependent density functional theory/electronic circular dichroism (TDDFT-ECD) calculations and the comparison with spectroscopic data of known compounds. In in vitro bioassay, compounds 1 and 5 exhibited moderate cytotoxic activities against human erythroleukemia (HEL) cells line with IC50 values of 37.1 and 42.4 uM, respectively.

One new La (III) based coordination polymer , namely, [La(1,4-bdc)(H2O)].(H2O) (1) (tpa = terephthalic acid) has been synthesized through the solvothermal synthesis using terephthalic acid. Structural analysis reveals that compound 1 has a 3-D network with a cube topology. The solid state photolumienescence study shows that compound 1 has a strong emission peak at 680 nm upon excitation at 220 nm . The emission peak is characteristic of the red light emission in the visible region of the electromagnetic spectrum.

Computer simulation of normal and diseased human heart activity requires a 3D anatomical model of the myocardium, including myofibres. For clinical applications, such a model has to be constructed based on routine methods of cardiac visualisation such as sonography. Symmetrical models are shown to be too rigid, so an analytical non-symmetrical model with enough flexibility is necessary. Based on previously made anatomical models of the left ventricle, we propose a new, much more flexible spline-based analytical model. The model is fully described and verified against DT-MRI data. We show a way to construct it on the basis of sonography data. To use this model in further physiological simulations, we propose a numerical method to utilise finite differences in solving the reaction-diffusion problem together with an example of scroll wave dynamics simulation.

Recently, resistive random access memory (RRAM) has been an outstanding candidate among various emerging nonvolatile memories for high density storage and in-memory computing applications. However, the traditional RRAM, which accommodates two states depending on applied voltage, cannot meet the high density requirement in the era of big data. Many research groups have demonstrated that RRAM possesses the possibility of multi-level cell to overcome the demand of mass storage. Among numerous semiconductor materials, gallium oxide, as the fourth-generation semiconductor material, is highly-profile due to its excellent material proper-ties, and already be widely used in optoelectronics, high-power, resistive switching device and so on, due to its wide bandgap and transparent properties. In this study, we have successfully demonstrated the Al/GO/Ga2O3/ITO RRAM to achieve the possibility of two-bit storage. Compared to the single-layer counterpart, the bilayer structure has excellent electrical properties and stable reliability. The endurance characteristics could be enhanced above 100 switching cycles with an ON/OFF ratio of over 103. Moreover, the filament models are also described in this thesis to clarify the transport mechanisms.

Due to the growing interest in biopolymers, biosynthesizable and biodegradable polymers currently occupy a special place. Unfortunately, the properties of native biopolymers are not satisfactory, which explain that attempts are being made to modify them. The work attempts to improve the properties of poly(3-hydroxybutyrate) (P3HB) using linear aliphatic polyurethane (PU) based on 1,4-butanediol and hexamethylene 1,6-diisocyanate. The conducted studies on the effect of the amount of PU used (5, 10, 15 and 20 wt.%) showed an improvement in the thermal properties of the prepared polymer blends. There was an increase in the degradation temperature of the ob-tained blends in relation to the native P3HB by 12-57C, and the difference between the melting point and the degradation point was above 100°C for most of the obtained blends. As part of the tested mechanical properties of the new polymer blends, we noted the desired increase in the tensile strength, in the relative elongation at break and in the impact strength with a decrease in hardness, in particular with the presence of 5 wt.% PU. Therefore, for further improvement, hybrid nanobiocomposites with 5 wt.% PU and organically modified montmorillonite (MMT – Cloisite 30B) were produced. The nanoadditive was used in typical amount of 1-3 wt.%. The nanostructure of the biocomposites produced by extrusion was examined by small-angle X-ray scattering (SAXS) and transmission electron microscopy (TEM), the morphology by scanning electron microscopy (SEM), and compatibility by infrared spectroscopy (FT IR). In addition, selected mechanical properties were determined and thermal properties were tested by the thermogravimetric analysis (TGA) and the standard differential scanning calorimetry (DSC). The polyester and polyurethane chains penetrated into the interlayer spaces of organically modi-fied nanoclay – Cloisite30B and the complete delamination occurred during direct mixing in the extrusion process. FT IR spectral analysis showed the compatibility of the polymer biocomposite components by the coexistence of intermolecular interactions in the form of hydrogen bonds. The morphology studies of the produced hybrid nanobiocomposites showed an interaction of the bi-opolymer matrix with PU and Cloisite30B and the formation of easily migrating polyester-polyurethane-montmorillonite adducts, which resulted in improved mechanical properties com-pared to the properties of the native P3HB and P3HB-PU compositions. The influence of the presence of a nanofiller on the properties of the prepared nanobiocomposites was tested and it was found that, as expected, the smallest amount of nanofiller provides the best results.It was found that the obtained nanobiocomposites containing the smallest amount of nano-fillers, i.e. 1 wt.% Cloisite30B exhibited the best mechanical and thermal properties. The desired decrease in hardness by 15% and a higher value of impact strength by 15%, an increase in elonga-tion at break by 60% and an increase in thermal stability of the newly produced biocomposites compared to to the native P3HB were observed. The prepared nanobiocomposites combined the best features caused by the elasticizing effect of polyurethane and the formation of P3HB-PU-MMT adducts.

Parametric form findings of free-form space structures and qualitative assessment of their aesthetics are among the concerns of architects. This study aims to evaluate the aesthetic aspect of these structures using ML algorithms based on the expert's experiences. First, various datasets of forms were produced using a parametric algorithm of free-form space structures written in Grasshopper. Then, three multilayer perceptron ANN models were adjusted in their most optimal modes using the results of the preference test based on the aesthetic criteria including simplicity, complexity, and practicality. The results indicate that the ANN models can quantitatively evaluate the aesthetic value of free-form space structures.

The paper deals with the reverse engineering, namely the as built documentation of the actual construction. The input is data measured in field using geodetic methods. In addition to modern methods of surveying 3D objects, such as laser scanning, it is still necessary to use classic surveying using a total station. The bottle neck of the process is the creation of documentation of the construction, which is still created manually in the appropriate CAD/BIM software. The goal of the research was to find a method that would reduce the amount of manual work when drawing documentation in CAD/BIM to a minimum. The core of the solution is the use of a topology that interconnects the points measured in field. The entire procedure has 2 parts: 1. Creating a topo-logical drawing template in a suitable CAD/GIS software (digital sketch), 2. Adding geometry to this sketch and creating a drawing using topological codes. The method was verified in practice by applying it to several specific buildings in the Czech Republic. The practical application of the method demonstrated a 30% time saving, a reduction in work and error rate in the entire process.

A solid structure, such as a road, building wall or envelop, used as a solar collector is considered an effective and new way to use renewable energy. This paper focused on the temperature characteristics of four structures exposed to sunshine: asphalt, red brick, composite cement and concrete road slab. Furthermore, the collected heat based on a hydraulic system was investigated experimentally. For the four structure slabs, their temperature differences are due to solar radiation absorption varied greatly by the material’s heat absorptance and color. Through the test, asphalt slab attained the highest temperature and had the weakest reflection among the structures. Compared with the others, the temperature of the asphalt slab was greater by 8.1%, 14.9% and 16.4% than the brick, composite cement and concrete, respectively. The reflection intensity growth ratio was defined and indicates the growth potential for absorbing radiation in the solid slab surface. From the experiments, it was concluded that a suitable selection of road materials can greatly improve the thermal absorption, conduction and penetration into the solid slab. The collected heat capability was approximately 250 W/m2 to 350 W/m2 in the natural summer condition. A black coating or a surface modification can collect more heat, reaching greater than 250 W/m2. The solar collecting heat efficiency with a surface configuration of the road slab can reach above 30% in the summer time.

Dehydroaromatization of methane (MDA) is of great interest as a promising process for processing natural and associated petroleum gases, the main component of which is methane. The rapid loss of catalyst activity because of coke formation hinders the introduction of the DHA methane process into industry. Therefore, the aim of the research was to find ways to improve Mo/ZSM-5 catalysts for MDA. The paper presents the results of the synthesis of high-silica zeolites of the ZSM-5 type with a microporous and micro-mesoporous structure, the preparation of Mo/ZSM-5 catalysts based on them, and the study of the physicochemical and catalytic properties of the obtained samples during the non-oxidative conversion of methane into aromatic hydrocarbons. Zeolite catalysts were investigated by IR spectroscopy, X-ray diffraction, TPD-NH3, SEM, HR-TEM, N2-adsorption. It was found that the addition of carbon black at the stage of synthesis of zeolite type ZSM-5 does not lead to structural changes, the obtained samples have a crystallinity equal to 100%. The creation of the micro-mesoporous structure in Mo/ZSM-5 catalysts lead to an increase in their activity and stability in the process of methane dehydroaromatization. The highest conversion of methane is observed on a 4.0%Mo/ZSM-5 catalyst prepared based on of zeolite synthesized using 1.0% carbon black, and is 13.0% in 20 minutes of reaction, while the benzene yield reaches 7.0%. It has been shown by HR-TEM that a more uniform distribution of the active metal component is observed in a zeolite catalyst with a micro-mesoporous structure than in a microporous zeolite.

This study aimed to increase the energy independence of buildings by utilizing solar energy to produce renewable energy. The subject of this study was a shading structure installed in an outdoor space to provide solar energy. Solar panels were applied to the shaded structures to generate energy actively. The solar panels were designed to be moved according to the optimal tilt angle each month to produce the optimal renewable energy. The architectural design of the shading structure and the energy simulation of the solar panels were conducted using a parametric design. The results of the energy simulation showed the generation of 31,570 kWh· year−1 of renewable energy. This amount of energy is 10% higher than that produced by fixed solar panels. Thus, the moving solar panel system developed in this study not only increases the energy independence of buildings, but also has the advantage of higher renewable energy production compared with fixed solar panels. Additionally, various types of shading structures can be designed depending on the combination of solar panel modules; in particular, moving solar panels have the potential to facilitate ecofriendly designs when applied to the exterior of buildings.

With the rapid development of Earth observation and information technology, people are increasingly able to access geospatial models. Geospatial models, based on principles of geography, utilize mathematical, statistical, as well as computer science methods to interpret and predict geographic phenomena. These models can be applied in the fields such as urban planning, environmental protection, traffic management to help decision-makers solve geography-related problems. However, integrating different geospatial models to collaboratively solve complex geographic problems still faces significant obstacles due to heterogeneity in model structure, dependencies, and running modes. In this study, we propose a containerized service-based integration framework for heterogeneous geospatial models (GeoCSIF). GeoCSIF consists of three main components: (1) Model encapsulation. It breaks down complicated geospatial models into independently manageable model units, and builds as unified service packages with a templated constraint method. (2) Model orchestration. It achieves an optimal combination of large-scale models with complex dependencies using a prioritization-based orchestration method. (3) Model publication. It incorporates heuristics into the model scheduling process, which can provide adaptive deployment for different model runs. Finally, a prototype system was developed to validate the effectiveness and progressiveness of GeoCSIF by the integrating process of heterogeneous flood disaster models.

This study investigates the influence of the porous structure, on the density and the mechanical behaviour of new foam concretes incorporating hemp shives. A total of eight batches of foam concretes were manufactured and tested, made with a protein-based foam agent, containing cement, ground granulated blast furnace slag and Metakaolin as binder and hemp shives as natural aggregate. The effect of several parameters is studied, elaboration method (direct and preformed), amount of pozzolanic additions (0% and 30%) and incorporation of hemp shives (5 and 15 vol%) on the resulting physical properties, microstructure, porous structure and mechanical behaviour of the concretes. Hemp shives incorporation results in increased concrete porosity and air bubble radius, decreased uniformity and mechanical strength, and lower cohesion with the cement matrix compared to standard concretes.

We introduce new metric structures on a smooth manifold (called “weak" structures) that generalize the almost contact, Sasakian, cosymplectic, etc. metric structures (φ,ξ,η,g) and allow us to take a fresh look at the classical theory and find new applications. This assertion is illustrated by generalizing several well-known results. It is proved that any Sasakian structure is rigid, i.e., our weak Sasakian structure is homothetically equivalent to a Sasakian structure. It is shown that a weak almost contact structure with parallel tensor φ is a weak cosymplectic structure and an example of such a structure on the product of manifolds is given. Conditions are found under which a vector field is a weak contact vector field.

Polyurethanes are materials with a strong structure-property relationship. The goal of this research was to study the effect of a polyol blend composition of polyurethanes on its properties using a mixture design and setting mathematic models for each property. Water absorption, hydrolytic degradation, contact angle, tensile stretch, hardness and modulus were studied. Additionally, Thermal stability was studied by thermogravimetric analysis. Area under the curve was used to evaluate the effect of polyol blend composition on thermal stability and kinetics of water absorption and hydrolytic degradation. Least squares were used to calculate the regression coefficients. Models for the properties were significant, and lack of fit was not (P<0.05). Fit statistics suggest both good fitting and prediction. Water absorption, hydrolytic degradation and contact angle were mediated by the hydrophilic nature of the polyols. Tensile strength, modulus and hardness could be regulated by the molecular weight and hydroxyl index of the polyols. Regression of DTG curves from thermal analysis showed improvement of thermal stability with the increase of PCL and PE. An ANOVA test of the model terms demonstrated that three component effects on bulk properties like water absorption, hydrolytic degradation, hardness, tensile strength and modulus, and the PEG*PCL interaction with the contact angle, which is a surface property. Mixture design application allowed for an understanding of the structure-property relationship through mathematic models.

In this research, the application of the Physics-Informed Neural Network (PINN) model is explored to solve transport equation-based Partial Differential Equations (PDEs). The primary objective is to analyze the impact of different activation functions incorporated within the PINN model on its predictive performance, specifically assessing the Mean Squared Error (MSE) and Mean Absolute Error (MAE). The dataset used in the study consists of a varied set of input parameters related to strut diameter, unit cell size, and the corresponding yield stress values. Through this investigation, the aim is to understand the effectiveness of the PINN model and the significance of choosing appropriate activation functions for solving complex PDEs in real-world applications. The outcomes suggest that the choice of activation function may have minimal influence on the model's predictive accuracy for this particular problem. The PINN model showcases exceptional generalization capabilities, indicating its capacity to avoid overfitting with the provided dataset. The research underscores the importance of striking a balance between performance and computational efficiency while selecting an activation function for specific real-world applications. These valuable findings contribute to advancing the understanding and potential adoption of PINN as an effective tool for solving challenging PDEs in diverse scientific and engineering domains.

Digital twin, an innovative technology propelled by data and models, plays a seminal role in the digital transformation and intelligent upgrade of ships. This study introduces a digital twin methodology for real-time monitoring of ship structure deformation fields, based on finite discrete strain data, and a visualization tool framework is developed using virtual reality technology. First, the inverse Finite Element Method (iFEM) is employed to derive the deformation field of the ship structure in real time via sensor strain data. Secondly, the deformation field data obtained based on the iFEM algorithm is converted into general visualization data conducive to interpretation within VR applications. Lastly, a digital twin software tool is built to enable synchronous response and interaction between the virtual scene and the physical scene, directly superposing particular virtual objects (data acquired by sensors, CAD virtual models, and deformation field cloud images) onto the physical scene in real-time. The digital twin tool embodies a virtual reality visualization system framework integrating physical data measurement, reconstruction, analysis, expression, storage, rendering and interaction of deformation field data. Through practical application, the flexibility, effectiveness and compatibility of the developed prototype tool are verified. According to the results, the system can enhance the efficiency of scientific communication, model validation, and interdisciplinary sharing during the analysis and evaluation of mechanical properties of ship structures.

In this study, Fe-based superconductors (SCs) are described with a model showing a novel attractive force. First, we describe this novel force using an analog from electromagnetism. From electromagnetism, it was found that this force is a Lorentz force in which two electrons orbit around a Fe-ion with the same velocity. Then, we consider a wave function of an electron. Consequently, due to the property of the proposed attractive force and the quantum-field Hamiltonian, we clarified that the Bardeen–Cooper–Schrieffer (BCS) ground state can be reused. Afterward, attractive force energy was calculated according to the presented model. In Fe-based SCs, a structure transition is essential. Considering that the derived attractive force energy is relatively large, we employ the expanded T_c-equation from the BCS theory that includes the structure transition effect and the derived attractive force energy. In addition, we succeed in analytically reproducing T_c-dome diagrams in various types of Fe-based SCs. Moreover, we discuss the universal property a general SC should have as well as the quantum critical point.

This study addressed a Fluid-Structure Interaction of an open Water test for vp1304 propeller to predict pressure and stress distributions with a low cost and high precision method. The most striking aspect of such a method(one-way coupling) is to use one hydrodynamic solution for the number of different structural sets involved in other materials or different layup methods and combinations of layers. An open-access software(OpenFOAM) with an open-source code solver is used to simulate the fluid domain. Abaqus is used To evaluate and predict the deformation and strength of the blade with the Finite Element Method(FEM). The coupling approach is based on dry condition, which means the added mass effects due to propeller blades vibration is neglected. The pressures imposed on the blades are extracted from the fluid solver for each time step. Then, These pressures role as a load condition for the structure solver. This approach was verified in the last paper(wedge impact); a key factor for the present solution is the rotational rate interrelated between two solution domains, which is explained in this paper. Finally, the blades' stress and strain are calculated and compared in each advance coefficient.

The paramagnetic gadolinium(III) ion is used as contrast agent in magnetic resonance (MR) imaging to improve the lesion detection and characterization. It generates a signal by changing the relaxivity of protons from associated water molecules and creates a clearer physical distinction between the molecule and the surrounding tissues. New gadolinium-based contrast agents displaying larger relaxivity values and specifically targeted might provide higher resolution and better functional images. We have synthesized the gadolinium(III) complex of formula [Gd(thy)2(H2O)6](ClO4)3·2H2O (1) [thy = 5-methyl-1H-pyrimidine-2,4-dione or thymine], which is the first reported compound based on gadolinium and thymine nucleobase. 1 has been characterized through vis-IR, SEM-EDAX and single-crystal X-ray diffraction techniques, and its magnetic and relaxometric properties have been investigated by means of SQUID magnetometer and MR imaging phantom studies, respectively. On the basis of its high relaxivity values, this gadolinium(III) complex can be considered a suitable candidate for contrast enhanced magnetic resonance imaging.

Alloys based on TiNi are widely used in various fields of technology and medicine. In the present work, we report on preparation of TiNi-alloy based wire with the shape memory effect, which was used for compression clips for surgery. Composition and structure of the wire, and its martensitic and physical-chemical properties were studied using SEM, TEM, optic microscopy, profilometry, mechanical tests, etc. The TiNi alloy was found to consist of B2 and B19' and secondary-phase particles of Ti2Ni, TiNi3 and Ti3Ni4. Its matrix was slightly enriched in Ni (50.3 at. % of Ni). Homogeneous grain structure was revealed (an average grain size of 19±0.3 μm) with equal quantities of grain boundaries of special and general types. Surface oxide layer provide improved biocompatibility and promote adhesion of protein molecules. Overall, the obtained TiNi wire was concluded to exhibit martensitic, physical and mechanical properties suitable for its use as an implant material. The wire was then used for manufacturing compression clips with the shape memory effect and applied in surgery. The medical experiment that involved 46 children demonstrated that the use of such clips in children with double-barreled enterostomies permitted to improve the results of surgical treatment.

Quantitative structure-activity relationship (QSAR) model is adopted to study the relationship between the chemical and physical properties of various substances and the structure. Through QSAR studies, the internal relationship between the invisible structure and the activity can be obtained. In this paper, a novel chaos-enhanced accelerate particle swarm algorithm (CAPSO) is proposed, which is used to molecular descriptors screening and optimization of the weights of back propagation artificial neural network (BP ANN). Then, the QSAR model based on CAPSO and BP ANN is put forward, hereinafter referred to as CAPSO BP ANN model. The prediction experiment showed that the CAPSO algorithm is a reliable method for screening molecular descriptors and the five molecular descriptors obtained by CAPSO algorithm could well characterize the molecular structure of each compound in pKa prediction. The experimental results also showed the CAPSO BP ANN model has a good performance in predicting the pKa values of various compounds, the absolute mean relative error, root mean square error, and square correlation coefficient are respectively 0.5364, 0.0632, and 0.9438, indicating the higher prediction accuracy and correlation. The proposed hybrid intelligent model can be applied in all kinds of engineering design, prediction of physical and chemical properties and intelligent calculation.

This article describes the transition of an undirected active network, used for numerical and logical analysis, and made up of communicating operators and nodes, and being self-extensible, into a network of semantic structures, and the extensions necessary to handle language. The network, called Active Structure, was infused with knowledge in the form of tens of thousands of definitions taken from a human-readable dictionary. Where the dictionary fell short, from circularity, lack of a hierarchical form for its senses and sub senses, or inadequate detail around verbs, the entries were extensively curated. The result is a machine which has access to every meaning of every word in its vocabulary, and needs to manage the right meaning for every use of a word, a task that our unconscious minds now handle. To demonstrate that such a network can aspire to human-level tasks, we have begun loading an Anti-Money Laundering Act so that the machine can devise and test strategies against money launderers. There is a higher goal being aimed at, the breaking of the Four Pieces Limit. That is, the network is not intended to save money on human cognitive labor, but to raise an absurdly low limit on it.

During the 1970s, Tunisian durum wheat landraces were replaced progressively by modern cultivars. These landraces are nowadays maintained by smallholder farmers in some ecological niches and are threatened gradually by extinction resulting on the narrowing of the genetic diversity. This study aims to investigate patterns of phenotypic variability using twelve quantitative traits in a panel of 189 durum wheat landraces and seven checks, based on farmer’s population name attribution and genetic structure. Our results showed high phenotypic variability among and within landraces and checks for the majority of the studied traits. The principal components analysis showed similar grouping using farmers name attribution and genetic structure using K = 6, which confirmed the identification of a new gene pool in the oases of Tunisia, represented by the sub-population Jenah Zarzoura and the robustness and high relationships between phenotypic and genome-wide genetic structure using DArTseq method. These findings will enhance the conservation efforts of these landraces and their use in breeding efforts at national and international levels to adapt to dry conditions.

The effects of the solvent used for the active layer materials of an OLED based on TADF emitters plays a fundamental role in solution-deposited devices. This work focuses the effects on the performance of different solvents employed to fabricate a very simple two organic layer OLED based on a green TADF emitter, under the concept of host:guest matrix. From the different results of the main figures of merit, it was possible to conclude that the OLED that used toluene as solvent for the active layer reached a maximum EQE of 14%, almost the maximum already obtained for this emitter in more complex device structures. With the analysis of the charge transport processes, it was possible to establish an explanatory model for the obtained results. Through impedance spectroscopy, additional characterization about the nature of charge transport processes was carried out. With these results, it was possible to corelate the relaxation times, with the electrical properties of the active layer, and infer about the interaction between the electrical charges and the defect levels opening new possibilities to further development in the printed OLEDs.

CoO-ZnO-based composites have attracted considerable attention for the development of energy storage devices because of their multifunctional characterization and ease of integration with existing components. This paper reports the synthesis of CoO@ZnO (CZ) nanostructures on Ni foam by the CBD method for facile and eco-friendly supercapacitor applications. The formation of a CoO@ZnO electrode functioned with cobalt, zinc, nickel and oxygen groups was confirmed by X-ray diffraction, X-ray photoelectron spectroscopy, low and high-resolution of scanning electron microscopy, and transmission electron microscopy. The as-synthesized hierarchical nanocorn skeleton-like structure of CoO@ZnO-3h (CZ3h) electrode delivered a higher specific capacitance of 1136 F/g at a current density of 3 A/g with outstanding cycling stability, showing 98.3% capacitance retention over 3000 cycles in an aqueous 2 M KOH electrolyte solution. This retention was significantly better than that of other prepared electrodes, such as CoO (CO), ZnO (ZO), CoO@ZnO-1h (CZ1h), and CoO@ZnO-7h (CZ7h) (274, 383, 240 and 537 F/g, respectively). This superior capacitance was attributed to the ideal surface morphology of CZ3h, which is responsible for the rapid electron/ion transfer between the electrolyte and electrode surface area. The enhanced features of the CZ3h electrode highlight potential applications in high performance supercapacitors, solar cells, photocatalysis, and electrocatalysis.

Two solvated rhenium(IV) complexes with formula [ReCl4(bpym)]·MeCN (1) and [ReCl4(bpym)]·CH3COOH·H2O (2) [bpym = 2,2'-bipyrimidine] have been prepared and characterized by means of Fourier transform infrared spectroscopy (FT–IR), scanning electron microscopy and energy dispersive X-ray analysis (SEM–EDX), single-crystal X-ray diffraction (XRD) and SQUID magnetometer. 1 and 2 crystallize in the monoclinic system with space groups P21/n and P21/c, respectively. In both compounds, the Re(IV) ion is six-coordinate and bound to four chloride ions and two nitrogen atoms of a 2,2’-bipyrimidine molecule forming a distorted octahedral geometry around the metal ion. In the crystal packing of 1 and 2, intermolecular halogen⋯halogen and π⋯halogen type interactions are present. Hydrogen bonds take place only in the crystal structure of 2. Both compounds exhibit an akin crystal framework based on halogen bonds. Variable-temperature dc magnetic susceptibility measurements performed on microcrystalline samples of 1 and 2 show a similar magnetic behavior for both compounds, with antiferromagnetic exchange between the Re(IV) ions connected mainly through intermolecular Re-Cl···Cl-Re interactions.

The astacin protease Meprin β represents an emerging target for drug development due to its potential involvement in disorders such as acute and chronic kidney injury and fibrosis. Here, we elaborate on the structural basis of inhibition by a specific Meprin β inhibitor. Our analysis of the crystal structure suggests different binding modes of the inhibitor to the active site. This flexibility is caused, at least in part, by movement of the C-terminal region of the protease domain (CTD). The CTD movement narrows the active site cleft upon inhibitor binding. Compared with other astacin proteases, among those the highly homologous isoenzyme Meprin α, differences in the subsites account for the unique selectivity of the inhibitor. Although the inhibitor shows substantial flexibility in the orientation within the active site, the structural data as well as binding analyses including molecular dynamics simulations support a contribution of electrostatic interactions, presumably by arginine residues, to binding and specificity. Collectively, the results presented here and previously support an induced fit and substantial movement of the CTD upon ligand binding and, possibly, during catalysis. To the best of our knowledge, we here present the first structure of a Meprin β holoenzyme containing a zinc ion and a specific inhibitor bound to the active site. The structural data will guide rational drug design and the discovery of highly potent Meprin inhibitors.

The description of protein disordered states is important for understanding protein folding mechanisms and their functions. In this short review, we briefly describe a simulation approach to modeling disordered protein interactions and unfolded states of globular proteins. It is based on the CABS coarse-grained protein model that uses a Monte Carlo (MC) sampling scheme and a knowledge-based statistical force field. We review several case studies showing that description of protein disordered states resulting from CABS simulations is consistent with experimental data. The case studies comprise investigations of protein-peptide binding and protein folding processes. The CABS model has been recently made available as the simulation engine of multiscale modeling tools enabling studies of protein-peptide docking and protein flexibility. Those tools offer customization of the modeling process, driving the conformational search using distance restraints, reconstruction of selected models to all-atom resolution and studies of large protein systems in a reasonable computational time. Therefore, CABS can be combined in integrative modeling pipelines incorporating experimental data and other modeling tools of various resolution.

This paper proposes an AI-based approach to overcome the limitations of the SHM system in measuring global stress with limited sensors. Feature elements are selected based on correlation analysis among finite elements and used as stress-measured points. An ANN is used to establish the solution relationship between the feature and correlation elements. The proposed method is applied to the connector structure of an offshore platform, and an optimal ANN is established to optimize accuracy by considering factors like the number of sensors, neural network framework, and convergence criteria. The accuracy of the ANN is verified through a real-scale model test, demonstrating 93.6% accuracy. This technology represents a significant advancement, enhancing the practicality of the structural health monitoring (SHM) system from “point monitoring" to “field monitoring".

Herein is introduced a simple scalar field model derived from classical based kinetic energy, gravitational potential energy, and Special Relativity’s rest mass energy. By applying a classical orbit over the scalar field, relativistic effects are predicted. The scalar field is then applied to a classical model of the Hydrogen atom resulting in a relativistic effect equal to the binding energy of the Hydrogen atom. In addition, the model derives the fine structure constant due to the gravitational effect. The relativistic effects are then discretized in increments equal to the model’s gravitational induced constant. The discretization produces the Hydrogen atom spectral emissions and an angular moment equal to Planck’s reduced constant. The model is not presented as a replacement for current theory, rather it is for inspection and illustration of how a simplistic model may offer a fundamental bridge between the more complex, time proven theories of General Relativity and Quantum Mechanics.

Background: Targeting Hepatitis B virus (HBV) infection in human is crucial due to its adverse. Herbal medicine has long been significant in this regard, with flavonoids demonstrating promising results. Hence, establishing a way of identifying flavonoids with anti-HBV activities is the aim of the present study. Methods: Flavonoid structures with anti-HBV activities were retrieved. A flavonol-based pharmacophore model was established using LigandScout v4.4. Screening was performed using the PharmIt server. A QSAR equation was developed and validated with independent sets of compounds. Applicability domain (AD) was defined using Euclidean distance calculations for model validation. Results: The best model, consisting of 57 features was generated. HTS using the flavonol-based model resulted in 509 unique hits. The model's sensitivity and specificity were 71% and 100%, respectively. The QSAR model with two predictors, x4a and qed, exhibited strong predictive performance with an adjusted-R² value of 0.85 and 0.90 of Q2. Conclusion: The QSAR model has been validated with two separate chemical sets, guaranteeing the model's reproducibility and usefulness for other flavonols by utilizing the predictive characteristics of X4A and qed. These results provide new possibilities for discovering future anti-HBV drugs by integrating modeling and experimental research.

Modern forestry systems are based upon typologies of forest types (FT). Many proposals were developed in Argentina, but without following unified criteria. The objective was to compare different approaches based on (i) functional forests (phenoclusters), and (ii) forest canopy-cover composition by tree species. We employed data of National Forest Inventories, forest models and climate data, comparing the proposals using univariate analyses. We test the performance of phenoclusters to differentiate the variability of native forests (proxy: forest structure), biodiversity (proxy: indicator species) and environment (proxies: soil carbon stock, elevation, climate). We proposed a simple forest type classification methodology based on species composition, considering basal area of tree species. Finally, we compared the performance of both proposals. In regions where monospecific forests are predominant, the classifications based on forest canopy-cover composition are feasible, but phenoclusters allowing to increase the complexity at landscape level. In those regions were predominant multi-specific stands, the classifications based on forest canopy-cover composition are useless, and phenoclusters allowing to decrease the complexity at landscape level. These results allowing to harmonize national FT classifications by using criteria and indicators to achieve sustainable forest management and conservation proposals.

Based on panel data of 31 provincial-level administrative units (excluding Hong Kong, Macao and Taiwan) in China from 2015 to 2019, using fixed effect model and mediation effect model, this paper makes an empirical analysis on the interaction among digital economy, industrial structure upgrade and high-quality economic development. The results show that, from the overall effect, the digital economy can significantly promote the high-quality development of the economy, and there are regular regional differences, and the relationship between the promotion intensity and the development level of the digital economy is proportional. From the mediation effect, in the relationship between digital economy and high-quality economic development, the upgrade of industrial structure has played a significant part of the mediation effect, the proportion of mediation effect is 25.17% . In addition, the mediation effect of industrial structure upgrade has obvious regional difference, the western area is the strongest, the eastern area is the second, the central area is the weakest. Based on the above research,the concrete policy suggestions are given to promote the development of digital economy and upgrade the level of industrial structure to promote the high-quality development of economy.

Additive manufacturing enables the realization of complex component designs that can not be achieved with conventional processes, such as the integration of lattice structures for weight reduction. To include lattice structures in component designs, an automated algorithm compatible to conventional CAD is required that is able to handle various lattice topologies as well as variable local shape parameters such as strut radii. Furthermore, smooth node transitions are desired since previous studies indicate advantages regarding reduced stress concentrations and the structural response to loadings such as fatigue performance. The surface patch-based algorithm developed in this work is able to solidify given lattice frames to smooth lattice structures without manual construction steps. The algorithm requires only a few seconds of sketching time for each node and favours paralellization. Automated special case workarounds as well as fallback mechanisms are considered for non-standard inputs. It is demonstrated on irregular lattice topologies and applied for the construction of a lattice infill of an aircraft component that was additively manufactured.

Many studies discuss carbon-based materials because of the versatility of its element. They include different opinions for scientific problems and discuss fairly at convincing and compelling levels within the scope and application. A gas-state carbon atom converts into various states depending on its conditions of processing. The electron transfer mechanism in the gas-state carbon atom is responsible to convert it into various states, namely, graphite, nanotube, fullerene, diamond, lonsdaleite and graphene. The shape of ‘energy trajectory’ enables transferring electrons from the left- and right-sides of an atom is like a parabola. That ‘energy trajectory’ is linked to states (filled state and suitable nearby unfilled state) where force-exertion along the poles of transferring electrons is remained balance. So, the mechanism of originating different states of a gas-state carbon atom is under the involvement of energy first. This is not the case for atoms executing confined inter-state electron-dynamics as the force is involved first. Graphite-, nanotube- and fullerene-state atoms ‘partially evolve partially develop’ (form) their structures. These possess one-dimensional, two-dimensional and four-dimensional ordering of atoms, respectively. Their structural formation also comprises ‘energy curve’ having a shape-like parabola. Transferring suitable filled state electron to suitable nearby unfilled state is under a balance force exerting along the poles. The graphite structure under only attained-dynamics of atoms can also be formed but in two-dimension. Here, binding energy between graphite-state carbon atoms is for a small difference of exerting forces along their opposite poles. Structural formation in diamond, lonsdaleite and graphene atoms involve energy to gain required infinitesimal displacements of electrons through which they maintain orientationally-controlled exerting forces along dedicated poles. In this study, the growth of diamond is found to be south to east-west (ground) where atoms bound ground to south. Thus, diamond atoms merge for a tetra-electron ground to south topological structure. Lonsdaleite atoms merge for a bi-electron ground to just-south topological structure. The growth of graphene is found to be north to ground where atoms bound ground to north. Thus, graphene atoms merge for a tetra-electron ground to north topological structure. Glassy carbon exhibits layered-topological structure where, tri-layers of gas-, graphite- and lonsdaleite-state atoms successively bind in repetitive order. Nanoscale hardness is also sketched based on different force-energy behaviors of different state carbon atoms. Here, structure evolution in each carbon state atom explores its own science.

Population is the main driver of land systems and environmental change. However, the population is usually treated as a variable that only considers the population number, and the multidimensional population structure is largely ignored. There has been a systematic transition of population structure in the past several decades, such as the changing household structure, the increasing aging population and divorce rate, and human migration. All these have direct or indirect impacts on land use and environmental issues. Here, we will take China as an example to examine the relationship between household dynamics and land use change in China by exam-ining changes in household structure and land use change in China between 1980 and 2020. The results show:1) the number of households increased by 130.95% from 1980 to 2020, while the population only increased by 42.83%. The size of households decreased from 4.41 to 2.92 in China from 1982 to 2020. The household dynamics vary from province to province, which is affected by urbanization rate and economic development. 2) Birth rates, divorce rates, population aging, and migration all affect household structure, which directly or indirectly affects changes in land use systems. 3) The changes in China's land use are interlinked and interact with changes in household structure, evident in the increase in residential land use and the abandonment of arable land. The rising household number increased the area of urban and rural settlement, leading to the fragmentation of cultivated land and the reduction of ecological land. To regulate land use change for sustainable development, future land use planning should take into effect of household dynamics, and reduce the negative effects of household dynamics on land systems and environmental change.

The modern material design aims to achieve multifunctionality by integrating structures in a diverse range, resulting in simple materials with embedded functions. Biological materials and organisms are typical examples of this concept, where complex functionalities are achieved through a limited material base. This review highlights the inspiration from multifunctional organisms and materials in nature, emphasizing their structural and functional integration. In particular, we discuss complex hierarchical architectures ranging from the nanoscale to the macroscale, to achieve multifunctional properties such as extreme pressure, impact and wear resistance, shape memory and self-healing, adhesiveness and anti-fouling, sensing-actuating and sensing-camouflage, and extreme environmental survival. These strategies of integrating structure and function are critical for promoting innovations and breakthroughs in the modern engineering materials and applications.

Most non-infectious diseases are associated with dysfunction of proteins or protein complexes. Аssociation between sequence and structure is analyzed since a long time, and analysis of sequence organization in domains and motifs is actual research area. A mathematical method is proposed here to identify the hierarchical organization of protein sequences. The method is based on pentapeptide as a unit of protein sequences. This method was applied on a non-homologous dataset of protein sequences. The analysis revealed 11 hierarchical levels of protein sequence organization, showing the relationship of these multiple fragments of sequences. Using different examples, we illustrated how the fragments of the spatial structure of protein correspond to the elements of the hierarchical structure of the protein sequence. A hierarchical structure is observed in the protein sequence. This methodology is an interesting basis for mathematically based classification of elements of spatial organization of proteins. Elements of the hierarchical structure of different levels of the hierarchy can be used for biotechnological and medical problems.

A series of water diversion projects to address the uneven distribution of water resources in China involve the construction of a large number of hydraulic tunnels. As the lining structure that maintains the stability and durability of the tunnels, it is prone to durability damage during the operation process, which in turn affects the water transmission safety and water supply capacity. Therefore, it is important to evaluate the durability of hydraulic tunnel lining structure. Considering the randomness and fuzziness of the factors affecting the durability of hydraulic tunnel lining structure, this paper proposes a comprehensive evaluation model based on the coupling of set-pair analysis and extension. The G1 method and the simple correlation function method are used to determine the subjective and objective weights of the evaluation indexes respectively, and the combination weight is assigned based on the principle of minimum entropy; the set-pair analysis principle is used to establish the linkage affiliation function, calculate the comprehensive linkage affiliation of the object to be evaluated, and the maximum affiliation principle is used to judge the durability level of the hydraulic tunnel lining structure. Finally, taking a section of hydraulic tunnel as an example, the model proposed in this paper is used to calculate its durability grade as Class III, with the set-pair potential SHI(H) = 7.5856, which is consistent with the actual engineering practice, and a comparative study is done in combination with the AHP-Extenics method. It is verified that the evaluation model can scientifically and reasonably evaluate the durability of hydraulic tunnel lining structure, providing a basis for subsequent maintenance and reinforcement.

A novel quasi-twisted miniaturized wideband Branch Line Coupler (BLC) is proposed. The design is based on bisecting the conventional microstrip line BLC transversely and folding bisected sections on double-layered substrates with a common ground plane in between. The pair of quarter wavelength horizontal parallel arms is converted to a Z-shape meandered microstrip line in the designed structure. On the other hand, the pair of quarter wavelength vertical arms are cut by half into two lines and converted to a periodically loaded slow wave structure. The bisected parts of BLC are placed on the opposite side of the doubled-layer substrate and connected through four vias passing through the common ground plane. This technique enabled a compact BLC size of 6.4×18 mm2, which corresponds to a surface area miniaturization by ~50% as compared to the classical BLC size of 10×23 mm2 at 6GHz, Moreover, the attained relative bandwidth is 73.9% (4.6-10 GHz) for S11, and 75.8% (4.5-10 GHz) for S33 as compared to 41% for the ordinary BLC at the same resonant frequency. The circuit is constructed on a double-layered low-cost FR4 substrate with a relative permittivity of 4.3, and a loss tangent of 0.025. An isolation of -13dB was realized in both S13 and S31 demonstrating an excellent performance. The transmission coefficients between input/output ports S21, S41, S23, and S43 are between -3.1dB to -3.5dB at the frequency of 6GHz. Finally, the proposed BLC provides phase differences between output ports of 90.5o and 94.8o at the frequency of 6GHz when the input ports 1 and 3 are excited, respectively. The presented design offers the potential of being utilized as a unit cell for building a Butler-matrix (BM) for sub-6GHz 5G beamforming networks.

A common task in the immunodetection of structurally close compounds is to analyze the selectivity of immune recognition: it is required to understand the regularities of immune recognition and to elucidate the basic structural elements which provide it. Triazines are compounds of particular interest for such a research due to their high variability and the necessity of their monitoring to provide safety of agricultural products and foodstuffs. We evaluated the binding of 20 triazines with polyclonal (pAb) and monoclonal (mAb) antibodies obtained using atrazine as the immunogenic hapten. A total of >3000 descriptors was used in QSAR analysis of binding activities (pIC50). Comparison of the two enzyme immunoassay systems showed that the system with pAb is much easier to describe using 2D QSAR methodology, while the system with mAb can be described using the 3D QSAR COMFA. Thus, for the 3D QSAR model of the polyclonal antibodies, the main statistical parameter q² (‘leave-many-out’) is equal 0.498, and for monoclonal antibodies q² is equal 0.566. Obviously, in the case of pAb, we deal with several targets, while in the case of mAb the target is one, and therefore it is easier to describe it using specific fields of molecular interactions distributed in space.

In the process of use and manufacture, carbon fiber foam sandwich structures were often damaged by low-energy impact, resulting in performance degradation. Therefore, it was necessary to study the damage caused by low-speed impact of composite sandwich structures. In this paper, based on Hashin failure criterion, an equivalent finite element model of carbon fiber foam sandwich panel under low velocity impact was established. The model was used to simulate the damage of foam sandwich panel with [±45°/±45°/ (core) /±45°/±45°] ply structure under the impact energy of 10.58J, 21.17J, 31.75J and 42.34J. The simulation results of impact damage depth were compared with the experimental results. The error was less than 10%, which proved the rationality of the impact equivalent model. The model was used to predict and analyze the damage of foam sandwich panels with [±45°/ (core) /±45°], [±45°/ (0°, 90°) / (core) /±45°] and [±45°/ (0°, 90°) (core) / (0°, 90°) /±45°] ply structures under 21.17J impact energy. By comparing and analyzing the damage situation, impact force response time and impact velocity response time, the low energy impact resistance was analyzed. The results showed that increasing the number of ply structure of [±45°] can reduce the impact damage degree and improve the bearing capacity of sandwich panels.

Traditional potential transformers have problems of large volume, difficulty in insulation, iron core saturation, ferroresonance overvoltage and poor transient response characteristics. The voltage sensor based on the principle of electric field coupling and differential input structure does not need to contact the measured object or ground, and can avoid the above problems. However, it requires a sufficiently high capacitance between the differential electrodes to obtain sufficient accuracy and a high voltage division ratio. The existing method of using mutual capacitance between the differential electrodes will cause many problems and fail to meet the practical needs. To solve the above problems, this paper innovatively uses multi-layer ceramic capacitor to replace the mutual capacitance and designs a new type of voltage sensor. In addition, by using single bypass small resistance grounding method to increase the input impedance of the differential signal processing circuit, error of the sensor is further reduced. The experimental results show that the sensor has excellent accuracy and great transient response characteristics. The ratio error under power frequency is within ±0.5% and the phase error is within 1. The ratio error in the range of 500 Hz∼30 kHz is within ±5% and the phase error is within 5. Moreover, it has the advantages of low cost, miniaturization, flexible shape and easy to adjust the voltage division ratio. These characteristics indicate that the sensor has good voltage measurement and sensor network potential.

Apis cerana and Apis mellifera, are very important honey species for agriculture in Asian countries. In recent decades, A. cerana populations have sharply declined in all Asian countries as a result of Sacbrood Virus infection and have now recovered to their original size. It can change the genetic structure of local populations of A. cerana. We used the nuclear gene Vitellogenin VG to assess the genetic structure of local populations of A. cerana and the signature of adaptive selection. We performed a population genetic analysis of the honey bees A. cerana from South Korea in comparison with A. cerana samples from Russia, Japan, Nepal, and China. The sequences of the gene VG of a closely related honey bee species, A. mellifera, from India and Poland were used as outgroup samples. A comparative analysis of northern and southern A. cerana populations was performed. The signatures of positive adaptive selection were found in the local population of A. cerana. We performed the Tajima's neutrality D test for A. cerana populations from different local populations based on the gene VG exon sequences. All A. cerana populations showed signs of population size expansion following the possible recent decline in population sizes. The local populations of A. c. koreana were subdivided according to their geographical distribution into southern, northern, and central Korean clusters. The gene VG exon sequences can be used as informative markers for monitoring the changes in genetic structure and adaptation to the environment processes in A. cerana populations.

Micro satellites must survive severe mechanical conditions during their launch phase. Therefore, structural design requirements are imposed on the micro satellites. These requirements are the strength requirement and the stiffness requirement. Usually, the structural design of a micro satellite is performed using the internal stress analysis and the natural frequency analysis, which are based on a Finite Element Method (FEM). The validity of this structural design is evaluated through vibration tests. In an early stage of development, which has a FEM model of a satellite in the process of creation, presumption of the natural frequency of a satellite may be difficult. In this study, a simple method for determining the longitudinal and lateral minimum natural frequencies of the micro satellites during the ascent phase was clarified. The structure of the micro satellites used in this research is made of aluminum alloy, and they have a monocoque structure. The Young's modulus and moment of inertia of area used to calculate the minimum natural frequencies were determined using the area ratio of the monocoque structure to the entire satellite. When this method is used, the estimated minimum natural frequencies of the longitudinal direction and the lateral direction are in agreement with the measured values acquired by the vibration tests. In order to shorten the process of micro satellites development, this paper describes a practical estimation method of the minimum natural frequency for micro satellites.

The crystal structure of Pb₁₀(PO₄)₆O, the proposed matrix for the potential room-temperature superconductor LK-99, Pb_10-xCu_x(PO₄)₆O (x = 0.9-1.0), has been reinvestigated by single-crystal X-ray diffraction using crystals prepared by Merker and Wondratschek (The crystal structure is trigonal, P, a = 9.8109(6), c = 14.8403(12) Å, V = 1237.06(15), R₁ = 0.0413 using 3456 unique observed reflections. The crystal structure of Pb₁₀(PO₄)₆O is a superstructure with regard to the ‘standard’ P6₃/m apatite structure type. The doubling of the c parameter is induced by the ordering of ‘additional’ O’ atoms within the structure channels running parallel to the c axis and centered at (00z). The O’ atoms form short bonds to the Pb1 atoms, resulting in splitting the Pb1 site into two, Pb1A and Pb1B. The structural distortions are further transmitted to the Pb phosphate framework formed by four Pb2 sites and PO₄ groups. The structure data previously reported by Krivovichev and Burns (Z. Kristallogr. 2003, 218, 357-365) may either correspond to the Pb₁₀(PO₄)₆O_x(OH)_2-x (x ~ 0.4) member of the Pb₁₀(PO₄)₆O - Pb₁₀(PO₄)₆(OH)₂ solid solution series, or to the high-temperature polymorph of Pb₁₀(PO₄)₆O (with the phase with doubled c parameter being the low-temperature polymorph).

Nickel nitrate diammine, Ni(NH₃)₂(NO₃)₂, can be synthesised from the thermal decomposition of the nickel nitrate hexammine, Ni[(NH₃)₆](NO₃)₂. The hexammine decomposes in 2 distinct steps; the first releases 4 equivalents of ammonia while the second involves the release of NO_x, N₂ and H₂O to yield NiO. The intermediate diammine compound can be isolated following the first deammoniation step or synthesised as a single phase from the hexammine under vacuum. Powder X-ray diffraction (PXD) experiments have allowed the structure of Ni(NH₃)₂(NO₃)₂ to be solved for the first time. The compound crystallises in orthorhombic space group Pca2₁ (a = 11.0628 (5) Å, b = 6.0454 (3) Å, c = 9.3526 (4) Å; Z = 4) and contains 11 non-hydrogen atoms in the asymmetric unit. Fourier Transform Infrared (FTIR) spectroscopy demonstrates that the bonding in the ammine is consistent with the structure determined by PXD.

A monocular vision pose estimation and identification algorithm used on a small spacecraft for future orbital servicing is studied in this paper. A tracker spacecraft equipped with a short-range vision system is proposed to recover the 3D structural model of a space target in orbit and automatically identify its solar panels and main body using only visual information from an onboard camera. The proposed reconstruction and identification framework is tested using structure-from-motion and point cloud identification methods. The Efficient Perspective-n-Points (EPnP) descriptor is used for pose estimation. Triangulated points are used for component segmentation by means of orientation histogram descriptors. Experimental results based on laboratory images of a spacecraft model show the effectiveness and robustness of our approach.

In this article we review the advances that have been made on the understanding of the high-pressure structural, vibrational, and electronic properties of wolframite-type oxides since the first works in the early 1990s. Mainly tungstates, which are the best known wolframites, but also tantalates and niobates, with an isomorphic ambient-pressure wolframite structure, have been included in this review. Apart from estimating the bulk moduli of all known wolframites; the cation-oxygen bond distances and their change with pressure have been correlated with their compressibility. The composition variations of all wolframites have been employed to understand their different structural phase transitions to post-wolframite structures as a response to high pressure. The number of Raman modes and band gap energy changes have been also analyzed in the basis of these compositional differences. The reviewed results are relevant for both fundamental science and for the development of wolframites as scintillating detectors. The possible next research venues of wolframites have also been evaluated.

Keywords: friction stir processing; additive manufacturing; wire; titanium alloy; material transfer; microstructure; microhardness

Abstract Introduction: Poor structural quality of health facilities for tuberculosis (TB) diagnosis and treatment contributes to unfavorable health outcomes among TB patients. Improving the quality of healthcare services helps to avert TB-related morbidity. Despite these facts, the level of structural quality of health facilitieSs to deliver TB services is not in line with what the national TB and leprosy program (NTLP) recommends. Hence, the present study was conducted to assess the structural quality of health facilities to deliver quality TB services to TB patients among public health facilities in the Sidama region.Objectives: To determine the quality of the structural domain of TB services at public health facilities in the Sidama region of southern Ethiopia.Methods: An institution-based cross-sectional study was conducted from June to July 2023 among randomly selected public health facilities in the Sidama region. We included 40 randomly selected public health facilities that delivered TB services in the study area. Data was collected by experienced data collectors using facility audits, clinical observation checklists, structured questionnaires, and in-depth interviews. An Open Kit Mobile (ODK) application was used to collect data and exported to SPSS version 26. All statistical analysis was done using SPSS version 26.Results: The overall mean quality score for the structural dimension was 50.25 among the 40 health facilities audited in the study area.Conclusion: The quality of TB services regarding structural dimensions was poor in the study area. Therefore, any strategies must give careful attention to increasing the comprehensive structural dimension of quality TB services.

A new Pd(II) complex of the previously reported ligand N,N′-bis[(2,2′-dihydroxybiphen-3-yl)methyl]-N,N′-dimethylethylenediamine (L) was obtained from a DMF/H2O mixture. It differs from a Pd(II) complex of L previously obtained by sole DMF. The roles in the solid state assembly of solvent molecules and molecular conformation (driven by specific transition metal ions) were studied by comparing six complexes of L containing different metal centers (Ni(II), Cd(II), Cu(II), Pd(II)). Hirshfeld surface analysis, 2D fingerprint plots and energy frameworks calculations were used to investigate the intermolecular interactions within the crystal packing of the six complexes. As suggested by interaction energies, Pd(II) and Ni(II) complexes arrange to form ribbons, while Cd(II) and Cu(II) complexes form 3D networks. Interactions between complexes and solvent molecules in the previous Pd(II) complex are replaced by complex-complex interactions in the new Pd(II) complex, while BuOH and MeOH are interchangeable in the interactions within the crystal packing of the two Ni(II) complexes. Finally, solvent molecules are not involved in the crystal packing of the Cu(II) complex. The present study suggested that the solid state assembly of these systems is mainly driven by the molecular conformation, that depends in turn by the metal ion involved, while the solvent only plays a minor role.

Long span cable-stayed bridge is the main bridge type with a span of more than 400 meters. It is generally designed as a double tower long-span structure with good spanning capacity and economic performance. Wind resistance safety performance is the main index to control the long-span cable-stayed bridge structure. During the operation of long-span cable-stayed bridge structure, because the service life of the cable is far less than the design life of the structure, the wind resistance performance of the structure will inevitably deteriorate significantly, which will seriously affect the structural service performance of symmetric cable-stayed bridge. Based on symmetric reliability theory, this paper takes flutter and static wind stability of long-span cable-stayed bridge structure as the main design control index, uses positive reliability theory to calculate the reliability index of symmetric cable-stayed bridge structure, uses inverse reliability theory to calculate the safety factor of symmetric cable-stayed bridge structure, and evaluates the wind resistant time-varying performance of long-span cable-stayed bridge structure by comprehensively considering the reliability index and safety factor. Taking a practical project of a long-span cable-stayed bridge as a specific case, the wind resistant time-varying reliability of the bridge during its operation for more than 30 years is analyzed, and the parameter sensitivity is analyzed. The results show that the wind resistance performance of the cable-stayed bridge structure is obviously affected by the cable, and the degradation of the cable performance will have an important impact on the wind resistance time-varying performance of the structure, especially the critical wind speed of the structure has obvious time-varying characteristics. The safety factor and reliability index can objectively evaluate the wind resistance time-varying performance of the long-span cable-stayed bridge structure.

: The article examines the regularities of structure formation of ultrafine fibers based on poly-3-hydroxybutyrat under the influence of technological (electrical conductivity, viscosity), molecular (molecular weight), and external factors (low-molecular and nanodispersed substances of different chemical nature). Systems with polar substances are characterized by the presence of intermolecular interactions and the formation of a more perfect crystalline fiber structure. Changes in technological and molecular characteristics affect the fiber formation process, resulting in alterations in the morphology of the non-woven fabric, fiber geometry, and supramolecular fiber structure. Polymer molecular weight, electrical conductivity, and solution viscosity influence fiber formation and fiber diameter. The fiber structure is heterogeneous, consisting of both crystalline and non-equilibrium amorphous phases. This is significant in the development of matrix-fibrillar systems for drug delivery, bioactive substances, antiseptics, tissue engineering constructs, tissue engineering scaffolds, artificial biodegradable implants, sorbents, and other applications.

The layout of deep chamber for coal-gangue separation (DCCS) based on the horizon of the weak stratum can affect the stability of its surrounding rocks. First, the work summarized the main structural characteristics of DCCS. Similar simulation tests were performed to analyze the deformation and failure law of surrounding rocks of DCCS under different horizons of the weak stratum. Then, 60 numerical simulation schemes were designed by considering the lateral pressure coefficient and the thickness and horizon of the weak stratum. A comprehensive evaluation method was proposed for the stability of surrounding rocks. The optimal layout methods of the DCCS were determined based on the thickness and horizon of the weak stratum in different ground stress fields. If the thickness of the weak stratum was large and lateral pressure coefficient λ &lt; 0.6 or λ &gt; 1, the stability of surrounding rocks was optimal to arrange the side of DCCS along the weak stratum. When 0.6 ≤ λ ≤ 1, the optimal approach for controlling surrounding rocks was to position the floor of DCCS along the weak stratum. If the thickness of the weak stratum was small and λ&lt;0.6 or λ&gt;1, the stability of surrounding rocks was optimal to arrange the side of DCCS near roof along the weak stratum. When 0.6 ≤ λ ≤ 1, the optimal approach for controlling surrounding rocks was to arrange the side of DCCS near the floor along the weak stratum. The results can provide an important theoretical reference for the spatial layout and support design of DCCS.

This study explores the capital structure determinants of Korean firms over an extensive period (1995-2021), encompassing both stable and crisis conditions. Employing a dynamic panel data model and the Generalized Method of Moments (GMM) estimation, we address the endogeneity issue introduced by the inclusion of lagged dependent variables. Our research integrates firm-specific internal factors with macroeconomic external variables to provide a comprehensive understanding of the influence of varying economic environments on capital structure. Our study suggests that in times of economic stability, the capital structure decisions of a firm are more influenced by internal factors such as profitability. However, in periods of economic downturns, it's the external macroeconomic market conditions that tend to have a greater impact on these decisions. It's also noteworthy that both book leverage (BL) and market leverage (ML) exhibit quicker adjustments during stable periods as opposed to periods of crisis. This indicates a higher agility of firms in adapting their capital structures in stable normal conditions. Our findings contribute to existing literature by offering a holistic view of capital structure determinants in Korean firms. They underscore the necessity of adaptable financial strategies that account for both internal dynamics and external economic conditions. This study fills a gap in current research, presenting new insights into the dynamics of capital structure in Korean firms and suggesting a multifaceted approach to understanding capital structure in diverse economic contexts.

This paper proposes a lightweight joint with bamboo culm cross connection, which is constructed by screwing one side of the screw into the other side of the wooden plug, its simple construction makes it easy to manufacture and cost-effective. This form connects adjacent bamboo culms to form corner joints, and bolt connects adjacent bamboo culm frames to form edge joints, to explore the mechanical properties of the combination joints formed by corner joints and edge joints, by combining experiments and numerical simulations, the method discovered and explained the relationship and mechanism between the number and position of bolts and the stiffness of edge joints. A calculation model for frame-unit bamboo culm members considering semi-stiffness of joints is proposed, and the conversion equations between linear stiffness of corner and edge joint and their rotational stiffnesses are derived. By establishing the series and parallel relationship between the corner and edge joints in the assembled members, a generalized relational equation between the total stiffness of the assembled joint and the stiffness of the corner and edge joints is derived. A numerical simulation method for frame-unit bamboo culm members with semi-rigid joints is proposed, which can obtain the stiffness calculation formula of edge joints and the average rotational stiffness value of semi-rigid corner joints. A finite element analysis method based on semi-rigid joints is proposed for frame-unit bamboo culm members, and the internal force sketches and calculation methods for bamboo culms and joints are presented, which can be used for the internal force analysis and design of frame-unit bamboo culm lattice structures.

Course-based Undergraduate Research Experiences (CUREs) in high-enrollment, introductory classes are a 37 potentially transformative approach to retaining more students in STEM majors. We developed and piloted a CURE 38 in the introductory biology courses at the University of Washington. This CURE focuses on analyzing experimental 39 evolution of antibiotic resistance in Escherichia coli and generates data on two topics relevant to clinical practice: 40 compensatory mutations and cross-drug effects. By studying mutations in central cellular machinery that confer drug 41 resistance, students not only gain insight into fundamental cellular phenomena, but also recognize the molecular 42 basis of a medically important form of evolutionary change, connecting genetics, microbiology, and evolution.

The approval of sucrose fatty acid esters (SFAEs) as food additives/preservatives has triggered enormous interest in discovering new applications for these materials. Accordingly, many researchers reported that SFAEs consist of various sugar moieties, and hydrophobic side chains are highly active against certain fungal species. The combination of chain length and site of acylation is crucial in endowing the SFAE with high antimicrobial potency against Aspergillus species. Following several important studies, we herein present the synthesis and an assessment of the effects of acylation site and chain length (i.e., C-6 vs. C-2, C-3, C-4, and long-chain vs. short-chain) on the antimicrobial activity of mannopyranoside fatty acid esters. In vitro tests revealed that the fatty acid chain length in mannopyranoside esters significantly affects the antifungal activity where C12 chains are more potent against Aspergillus species. In terms of acylation site, mannopyranoside esters with a C8 chain substituted at the C-6 position are more active in antifungal inhibition. Molecular docking also revealed that these mannopyranoside esters had comparatively better stable binding energy, and hence better inhibition, with the fungal enzymes lanosterol 14-alpha-demethylase (3LD6), urate oxidase (1R51), and glucoamylase (1KUL) than the standard antifungal drug fluconazole. Additionally, the thermodynamic, orbital, drug-likeness, and safety profiles of these mannopyranoside esters were calculated and discussed, along with the structure-activity relationships (SAR). This study thus highlights the importance of the acylation site and lipid-like fatty acid chain length that govern the antimicrobial activity of mannopyranoside-based SFAE.

That form and function relates, is the maxim to anatomy and physiology. Yet form-function relations can be difficult to establish. Human subjects with excessive trabeculated myocardium in the left ventricle, for example, are diagnosed with non-compaction cardiomyopathy, but the extent of trabeculations may be without relation to ejection fraction. Rather than rejecting a relation between form and function, we may ask whether the salient function is assessed; is there a relation to electrical propagation, mean arterial blood pressure, propensity to form blood clots, or all? And how should extent of trabeculated muscle be assessed? While reviewing literature on trabeculated muscle, we applied Tinbergen’s four types of causation - how does it work, why does it work, how is it made, and why did it evolve - to better parse what is meant by form and function. The paper is structured around cases that highlight advantages and pitfalls of applying Tinbergen’s questions. It further uses the evolution of lunglessness in amphibians to argue lung reduction can impact on chamber septation, and it considers the evolution of an arterial outflow in fishes to argue that reductions in energy consumption may drive structural changes with little consequences to function. Concerning trabeculations, we argue they relate to pump function in the embryo in the couple of weeks before the onset of coronary circulation. In fetal and postnatal stages, a spectrum of trabeculated-to-compact myocardium makes no difference to cardiac function and in this period form and function may appear unrelated.

The importance of antibodies in health care and the biotechnology research and development demands not only knowledge of their experimental structures at high resolution, but also practical implementation of this knowledge for both effective and efficient design and production of antibody for its use in both medical and research applications. While the experimental wet-lab approach is usually costly, laborious and time-consuming, computational (dry-lab) approaches, in spite of their intrinsic limitations in comparison with its experimental (wet-lab) counterpart, provide a cheaper and faster alternative option. For the first time, this article reports a comprehensive set of structural electrostatic features extracted from experimentally determined antigen-antibody-related structures, including especially those structural electrostatic features at the interfaces of all experimentally determined antigen-antibody complex structures as of February 29, 2020, to facilitate effective and efficient machine learning-based computational antibody design using currently available experimental structures inside Protein Data Bank.

Porous structures and micropatterning surfaces play a crucial role in the development of highly sensitive force sensors. However, achieving these two conductive architectures typically requires complex materials synthesis and expensive manufacturing processes. In this study, we introduce a novel conductive composite film featuring a porous/micropyramid hybrid conductive architecture, which is achieved through a straightforward process of materials mixing and one-step screen printing. By utilizing a deep eutectic solvent in the ink component, micropores are induced in the printed composite, while the mesh of the screen mask acts as a template, resulting in a micropyramid film surface. We have successfully realized highly sensitive flexible force sensors with multifunctional capabilities for perceiving normal force and shear force.

The cuttlebone-like structure is a complex porous bionic structure with asymmetric sinusoidal S-shaped wall structure connecting laminar septa, and studies have shown that the cuttlebone-like structure has light weight, high strength and excellent energy absorption capability. It has become an important research to investigate the mechanical mechanism of cuttlebone-like structure and to design a bionic structure beyond nature structure based on it. In order to investigate the mechanical properties of the static compression and shearing processes of the cuttlebone-like structure, this paper establishes theoretical formulas and analyzes the influence of dimensionless parameters such as height-to-thickness ratio $\lambda$, period-to-thickness ratio $\xi$ and amplitude to period ratio $\eta$ on the compression and shearing processes with the help of ABAQUS finite element software.The parameter sensitivity analysis method was used to compare the important influence degree of each dimensionless parameter on the mechanical properties of the structure and to determine the relative optimal parameters of the structural mechanical properties under compression and shearing. Based on the relatively optimal parameter of the cuttlebone-like structure, the cross-sectional geometry of the structure is improved to build a new cuttlebone-like structure.The experimental results showed that the new cuttlebone-like structure with revised cross-section improved the mechanical properties of the cuttlebone-like structure.The study results are of theoretical guidance to enhance the mechanical properties and geometric design of cuttlebone-like structures.

Most fully developed galaxies have vivid spiral structure, but the formation and evolution of spiral structure is still a mystery that is not fully understood in astrophysics. We find that the currently used equations of galactic dynamics contain some unreasonable components. In this paper, the following three working assumptions are introduced to simplify the galactic structural equations. 1. In the research of large-scale structure, the retarded potential of the gravitational field should be taken into account. The propagating time of the gravitational field from center to border is longer than the revolution periods of the stars near the center of galaxy. Newton's gravitational potential is unreasonable for such case, and the weak field and low velocity approximation of Einstein's field equation should be adopted. 2. The stars in a fully developed galaxy should be zero-pressure and inviscid fluid, and the equation of motion is different from that of ordinary continuum mechanics. Stars move along geodesics. 3. The structure of the galaxy is only related to the total mass density distribution. The equation of state of dark halo is different from that of ordinary luminous interstellar matter, so their trajectories are also very different. Dark halo and ordinary matter in galaxy are automatically separated. The total mass density distribution can be presupposed according to the observation data, and then it can be determined by comparing the solution of the equations with the observed data. These assumptions and treatments are supported by theory and observation. The variables of the equations of simplified galactic dynamics are separated from each other, and the equations are well-posed and can be solved according to a definite procedure. Therefore, this simplified dynamic equation system provides a more reasonable and practical framework for the further study of galactic structure, and can solve many practical problems. Besides, it is closely related to the study of dark energy and dark matter.

Usually, the vector control of the induction machine (IM) is done by using cascade control structures with conventional linear PI controllers, the inner loop being designed for current control, and the outer loop for rotor flux and speed control. In this paper, starting from the dq model of the IM with the rotor magnetic flux space vector aligned along the d axis, advanced control algorithms are proposed for the two control loops of the cascade structure. For the current inner loop, after the decoupling control of the two dq currents, predictive algorithms with constraints are used to control and limit the currents. Since the outer loop has a nonlinear affine multivariable plant model, a homotopy-based variant of feedback linearization is used to obtain a non-singular decoupling matrix of the feedback transformation even when the rotor flux is zero at the start-up of the motor. During the continuous variation of the homotopy parameter, the model of the plant is variable, in which case the model free algorithms are properly used to control the flux and speed of the IM. The comparative analysis obtained for the cascade structure with conventional PI controllers and advanced algorithms, respectively, shows that the last lead to improve the dynamical performance of the IM.

In this paper, a multi-patch weakly singular isogeometric boundary element method (WSIGABEM) for two-dimensional elastostatics is proposed. Since the method based on the weakly singular boundary integral equation, the quadrature techniques, dedicated for the weakly singular and regular integrals, are applied in the method. A new formula for the generation of collocation points is suggested to take the full advantage of the multi-patch technique. The generated collo-cation points are essentially inside the patches without any correction. If the boundary conditions are assumed to be continuous in every patch, no collocation point lies on the discontinuous boundaries, thus simplifying the implementation. The multi-patch WSIGABEM is verified by the simple examples with analytical solutions. The feature of the present multi-patch WSIGABEM is investigated by the comparison with the traditional IGABEM. Furthermore, the combination of the present multi-patch WSIGABEM and the particle swarm optimization algorithm results in a shape optimization method in two-dimensional elastostatics. By changing some specific control points and their weights, the shape optimizations of the fillet corner, the spanner and the arch bridge are verified to be effective.

The aim of this research is to expand recent developments in the mapping of pasture yield with remotely piloted aircraft systems to that of satellite-borne imagery. Up to date, spatially explicit and accurate information of the pasture resource base is needed for improved climate-adapted livestock rangeland grazing. This study developed deep learning predictive models of pasture yield, as total standing dry matter in tonnes per hectare (TSDM(tha−1)), from field measurements and both remotely piloted aircraft systems and satellite imagery. Repeated remotely piloted aircraft system structure measurements derived from structure from motion photogrammetry, provided measures of pasture biomass from many overlapping high-resolution images. Repeated remotely piloted aircraft system measures throughout a growing season, were modelled with persistent photosynthetic pasture responses from various Planet Dove high spatial resolution satellite image-derived vegetation indices. Pasture height modelling as an input to the modelling of yield was assessed against terrestrial laser scanning and reported correlation coefficients (R2) from 0.3 to 0.8 for both a coastal grassland and inland woodland pasture. Accuracy of the predictive modelling from both the remotely piloted aircraft system and the Planet Dove satellite image estimates of pasture yield ranged from 0.8 to 1.8 TSDM(tha−1). These results indicated that the practical application of repeated remotely piloted aircraft system derived measures of pasture yield can, with some limitations, be scaled-up to satellite-borne imagery to provide more temporally and spatially explicit measures of the pasture resource base.

This work deals with a novel porous TiNi-based material for ophthalmic orbital implants that was produced by high-temperature synthesis (SHS) and possesses a specific microstructure of its surface pores, which makes it attractive for biomedical use in implants. After preparation via SHS, the obtained porous TiNi material was etched in acidic environment, to get rid of its surface Ti2Ni secondary-phase particles. This was found to improve the material’s surface morphology, adding micro-roughness to its macro-rough pores. As a result, cell growth tests conducted on the material demonstrated improved cell adhesion and growth kinetics on such a porous material with improved roughness. Finally, the material was tested in vivo as an ophthalmic orbital implant, demonstrating good biocompatibility, good degree of biointegration with surrounding eyeball tissues, and no signs of rejection after as long as 180 days. Thus, the novel porous TiNi-based material shows promise for its use in ophthalmic implantology, for instanse for manufacturing musculoskeletal stumps of the eyeball after evisceration, as it is biocompatible, has a high tissue-implant integration potential and demonstrates reduced risks of exposure and rejection of the implant.

Pairs of pyrrolysyl-tRNA synthetase (PylRS) and tRNAPyl from Methanosarcina mazei and Methanosarcina barkeri are widely used for site-specific incorporations of non-canonical amino acids into proteins (genetic code expansion). Previously, we achieved full productivity of cell-free protein synthesis for bulky non-canonical amino acids, including Ne-((((E)-cyclooct-2-en-1-yl)oxy)carbonyl)-L-lysine (TCO*Lys), by using Methanomethylophilus alvus PylRS with structure-based mutations in and around the amino acid binding pocket (first-layer and second-layer mutations, respectively). Recently, the PylRS•tRNAPyl pair from a methanogenic archaeon ISO4-G1 was used for genetic code expansion. In the present study, we determined the crystal structure of the methanogenic archaeon ISO4-G1 PylRS (ISO4-G1 PylRS) and compared it with those of structure-known PylRSs. Based on the ISO4-G1 PylRS structure, we attempted the site-specific incorporation of Ne-(p-ethynylbenzyloxycarbonyl)-L-lysine (pEtZLys) into proteins, but it was much less efficient than that of TCO*Lys with M. alvus PylRS mutants. Thus, the first-layer mutations (Y125A and M128L) of ISO4-G1 PylRS, with no additional second-layer mutations, increased the protein productivity with pEtZLys up to 578% of that with TCO*Lys, at high enzyme concentrations in the cell-free protein synthesis.

In recent decades, perovskite-type compounds (ABB′O3) have been exhaustively studied due to their unique ferroelectric properties. In this work, a systematic study aiming to prepare fine particles in the binary system SrZrO₃–SrTiO₃ was conducted under hydrothermal conditions in a KOH (5 M) solution at 200 °C for 4 h under a constant stirring speed of 130 rpm. The precursors employed were SrSO₄ powder (&lt; 38 μm size) and coprecipitated hydrous gels of Zr(OH)₄•9.64 H₂O (Zr-gel) and Ti(OH)₄•4.5H₂O (Ti-gel), which were mixed according to the stoichiometry of the SrZr_1-xTixO₃ in the compositional range of 0.0&gt;x&gt;100.0 mol% Ti⁴⁺. The XRD results revealed the formation of two crystalline phases rich in Zr⁴⁺, an orthorhombic structured SrZr0.93Ti0.07O3 and a cubic structured SrZr0.75Ti0.25O3 within the compositional range of 0.1–0.5 mol of Ti4+. A cubic perovskite-structured solid solution, SrTi1-xZrxO3, was preferentially formed within the compositional range of 0.5&gt;x&gt;0.1 mol% Ti⁴⁺. The SrZrO₃ and SrZr_0.93Ti_0.07O₃-rich phases had particle sizes averaging 3 m with a cubic morphology. However, a remarkable reduction in the particle size occurred on solid solutions prepared with hydrous Ti-gel over contents of 15 mol% Ti⁴⁺ in the reaction media, resulting in the formation of nanosized particles agglomerates with cuboidal shape self-assembled via a 3D hierarchical architecture, the sizes of these particles varied in the range between 141.0–175.5 nm. The limited coarsening of the particles is discussed based on the Zr-gel and Ti-gel dehydration capability differences that occurred under hydrothermal processing.

Alunogen, Al2(SO4)3·17H2O, occurs as an efflorescent in acid mine drainage, low-temperature fumarolic or pseudofumarolic (at coal fires) terrestrial environments. It is considered as one of the main Al-sulfates of Martian soils demanding comprehensive crystal chemical data of natural terrestrial samples. However, structural studies of natural alunogen were carried out in 1970s without localization of H atoms and have not previously been performed for samples from geothermal fields, despite the fact that these environments are considered as proxies of the Martian conditions. The studied alunogen sample comes from Verkhne-Koshelevsky geothermal field (Koshelev volcano, Kamchatka, Russia). Its chemical formula is somewhat dehydrated, Al2(SO4)3×15.8 H2O. The crystal structure was solved and refined to R1 = 0.068 based on 5112 unique observed reflections with I > 2σ(I). Alunogen crystalizes in P-1 space group, a = 7.4194(3), b = 26.9763(9), c = 6.0549(2) Å, α = 90.043(3), β = 97.703(3), γ = 91.673(3) °, V = 1200.41(7) Å3, Z = 2. The crystal structure consists of isolated SO4 tetrahedra, Al(H2O)6 octahedra and H2O molecules connected by hydrogen bonds. The structure refinement includes Al, S and O positions that are similar to previous structure determinations and thirty-four H positions localized for the natural sample first. The study also shows the absence of isomorphic substitutions in the composition of alunogen despite the iron-enriched environment of mineral crystallization. The variability of the alunogen crystal structure is reflected in the number of “zeolite” H2O molecules and their splitting. The structure complexity of alunogen and its modifications ranges from 333-346 bits/cell for models with non-localized H atoms to 783-828 bits/cell for models with localized H atoms. The higher values correspond to higher hydration state of alunogen.

Utilization of Bidirectional Reflectance Distribution Function (BRDF) model parameters obtained from the multi-angular remote sensing is one of the approaches for the retrieval of vegetation structural information. In this research, the potential of multi-angular vegetation indices, formulated by the combination of multi-spectral reflectance from different view angles, for the retrieval of forest above ground biomass was assessed. This research was implemented in the New England region with the availability of a high quality forest inventory database. The multi-angular vegetation indices were generated by the simulation of the Moderate Resolution Imaging Spectroradiometer (MODIS) BRDF/Albedo Model Parameters Product (MCD43A1 Version 6) based BRDF parameters. The effects of seasonal (spring, summer, autumn, and winter) composites of the multi-angular vegetation indices on above ground biomass, angular relationship of the spectral reflectance with above ground biomass, and the interrelationships between the multi-angular vegetation indices were analyzed. Among the existing multi-angular vegetation indices, only the Nadir BRDF-adjusted NDVI ( and Hot-spot incorporated NDVI ( showed significant relationship (more than 50%) with the above ground biomass. This research proposed two more sensitive vegetation structural indices, Fore-scattering Back-scattering NDVI and Vegetation Structure Index (VSI). The Fore-scattering Back-scattering NDVI showed higher sensitivity (R² = 0.62, RMSE = 52.46) towards the above ground biomass than existing multi-angular vegetation indices. Furthermore, the VSI performed in the most efficient way explaining 64% variation of the above ground biomass, suggesting that the right choice of the spectral channel and observation geometry should be considered for improving the estimates of the above ground biomass. In addition, the right choice of seasonal data (summer) was found to be important for estimating the forest biomass while other seasonal data were either insensitive or pointless. The promising results shown by the VSI suggest that it could be an appropriate candidate for monitoring vegetation structure from the multi-angular satellite remote sensing.

An efficient design method is proposed for a compact common-mode rejection (CMR) filter utilizing dumbbell-shaped defected ground (DS-DG) structures and gap-coupled stub (GCS) resonators. A CMR filter for differential lines helps to improve the signal integrity of high-speed digital signals on printed circuit boards. The proposed CMR filter design is based on the equivalent circuit models, while the previous designs depended heavily on the DS-DG structure optimization using the EM simulations. The proposed CMR filter effectively reject the common-mode components with minimally affecting the differential signals. To prove the simplified design approach, a 5th-order Chebyshev band-stop filter has been designed with three DS-DG structures and two GCS resonators. From the simulated and measured results, it is found that the proposed CMR filter provides ~90% fractional frequency bandwidth with more than 20 dB of common-mode rejection ratio and less than 0.6 dB of insertion loss of the differential signal.

A steel damper column is an energy-dissipating member that is suitable for reinforced concrete (RC) buildings and multistory housing. To assess the seismic performance of buildings with steel damper columns, the peak displacement of the whole building and the energy dissipation demand of the dampers must be evaluated. This article proposes an energy-based prediction procedure for the peak and cumulative response of an RC frame building with steel damper columns. The proposed procedure considers two energy-related seismic intensity parameters, namely the maximum momentary input energy and the total input energy. The peak displacement is predicted considering the energy balance during a half cycle of the structural response, using the maximum momentary input energy. The energy dissipation demand of the dampers is then predicted considering the energy balance during a whole response cycle using the total input energy. The local responses (e.g., peak drift, maximum plastic rotation of beams, maximum shear strain, and energy dissipation demand of dampers) are predicted using pushover analysis. Numerical analysis results for 8- and 16-story RC buildings show that the proposed prediction method achieves satisfactory accuracy.

Rapid developments in the field of underwater photogrammetry have given scientists1the ability to produce accurate 3-dimensional (3D) models which are now increasingly used in the representation and study of local areas of interest. This paper addresses the lack of systematic analysis of 3D reconstruction and navigation fusion strategies, as well as associated error evaluation of models produced at larger scales in GPS-denied environments using a monocular camera (often in deep-sea scenarios). Based on our prior work on automatic scale estimation of Structure from Motion (SfM)-based 3D models using laser scalers, an automatic scale accuracy framework is presented. The confidence level for each of the scale error estimates is independently assessed through the propagation of the uncertainties associated with image features and laser spot detections using a Monte Carlo simulation. The number of iterations used in the simulation was validated through the analysis of the final estimate behaviour. To facilitate the detection and uncertainty estimation of even greatly attenuated laser beams, an automatic laser spot detection method, mitigating the effects of scene texture, was developed, with the main novelty of estimating the uncertainties based on the recovered characteristic shapes of laser spots with radially decreasing1 intensities. The effects of four different reconstruction strategies resulting from the combinations of Incremental/GlobalSfM, and thea priori/a posterioriuse of navigation data were analyzed using two distinct survey scenarios captured during the SUBSAINTES 2017 cruise (doi: 10.17600/17001000). The study demonstrates that surveys with multiple overlaps of non-sequential images result in a nearly identical solution regardless of the strategy (SfM or navigation fusion), while surveys with weakly connected sequentially acquired images are prone to produce broad-scale deformation (doming effect) when navigation is not included in the optimization. Thus the scenarios with complex survey patterns substantially benefit from using multi-objective BA navigation fusion. In all cases, the errors in the models are inferior to 5%, with errors often being around 1%. The effects of combining data from multiple surveys were also evaluated. The introduction of additional vectors in the optimization of multi-survey problems successfully accounted for offset changes present in the underwater USBL-based navigation data and thus minimize the effect of contradicting navigation priors. Our results also illustrate the importance of collecting a multitude of evaluation data at different locations and moments during the survey.

Hepatitis C virus (HCV) is a major medical health burden and leading cause of chronic liver disease and cancer worldwide. More than 58 million people are chronically infected with HCV, with 1.5 million new infections occurring each year. An effective HCV vaccine is a major public health and medical need as recognized by the World Health Organization. However, due to the high variability of the virus and its ability to escape the immune response, HCV rapidly accumulates mutations making a vaccine a formidable challenge. An effective vaccine must elicit broadly neutralizing antibodies (bnAbs) in a consistent fashion. After decades of studies from basic research through clinical development, the antigen of choice is considered to be the E1E2 envelope glycoprotein due to conserved, broadly neutralizing antigenic domains located in the constituent subunits of E1, E2, and the E1E2 heterodimeric complex itself. The challenge has been elicitation of robust humoral and cellular responses leading to broad virus neutralization due to the relatively low immunogenicity of this antigen. In view of this challenge, structure-based vaccine design approaches to stabilize key antigenic domains have been hampered due to the lack of E1E2 atomic-level resolution structures to guide them. Another challenge has been development of a delivery platform in which a multivalent form of the antigen can be presented in order to elicit a more robust anti-HCV immune response. Recent nanoparticle vaccines are gaining prominence in the field due to their ability to facilitate a controlled multivalent presentation and trafficking to lymph nodes, where they can interact with both the cellular and humoral components of the immune system. This review focuses on recent advances in understanding the E1E2 heterodimeric structure to facilitate a rational design approach and the potential for development of a multivalent nanoparticle-based HCV E1E2 vaccine. Both aspects are considered important in the development of an effective HCV vaccine that can effectively address viral diversity and escape.

Soil structure is a sensitive and dynamic soil physical property which responds rapidly to different tillage systems, and thus it requires constant monitoring and evaluation. The visual evaluation of soil structure (VESS) and subsoil visual evaluation of soil structure (SubVESS) methods were used to assess the soil structure quality of clayey soils subjected to different tillage systems. The tillage systems were no-tillage (NT), conventional tillage (CT) and virgin land (VG). The study was conducted at Tshivhilwi and Dzingane in Thohoyandou, Vhembe District, Limpopo Province, South Africa. The NT system was practised for 8 and 40+ years at Tshivhilwi and Dzingahe, respectively. The results showed no impact of tillage system on both VESS and SubVESS at Tshivhilwi. The soil structure quality at Tshivhilwi as determined by VESS and SubVESS were found to be poor. However, at Dzingahe, both the VESS and SubVESS responded to the impact of tillage. At Dzingahe VESS showed a fair (Sq = 2.25) soil structural quality in the NT system, poor (Sq = 3.57) in the CT system and moderately poor (Sq = 3.05) in the VG. Similarly, at the same location the SubVESS scores were moderately good in the NT system, moderately poor for CT system and fair in the VG. The differences in the response of the VESS and SubVESS at the two locations were attributed to the differences in the duration at which the NT systems were practised. The VESS and SubVESS results were supported by selected measured soil physicochemical properties such as bulk density and porosity. In conclusion, the findings of this study showed that the VESS and SubVESS were able to effectively differentiate the impact of tillage systems on soil structural quality in clayey soils where NT was practised for a long period (40+ years) while it could not where NT was practised for a few years (8 years).

Multipactor is a common discharge phenomenon occurred in space microwave systems. The surface microstructure has been verified to be effective to mitigate multipactor. In this work, we design a square coaxial low-pass filter (SCLPF) with dielectric sheets loaded to check the multipactor dependence on the structure parameters of the loaded dielectric sheets, and further model groove structures on the sensitive area surface to lower the risk of multipactor. Simulation results indicate that the SCLPF loaded with alumina and PTFE exhibits good operational characteristics, and the multipactor threshold is significantly improved after introducing the surface grooves. Then we investigate the effects of three typical groove parameters, groove depth, groove number, and aspect ratio, on the multipactor threshold of the SCLPF device. The results show that the multipactor threshold raise at first as the groove number and groove depth increase, and then the threshold reaches a saturation status. For a deeper analysis of multipactor, we discuss how the grooves shelter the secondary electrons, and further mitigate the electron avalanche. Furthermore, the mechanisms of threshold saturation under the effect of groove parameters are analyzed in detail, and a contour map for the multipactor threshold of PTFE-loaded SCLPFs is given, which makes significant sense for predicting the multipactor threshold of the devices with its sensitive surface being grooved. The regularity of modulating the multipactor threshold by the groove structures obtained in this study is of engineering significance for suppressing multipactor in microwave devices in practical applications.

The determination of the three-dimensional structure is a key step for the identification of new targets as well as the rational design of bioactive compounds. Herein, we report the synthesis and the structural elucidation of novel tetrameric macrocycles. Measurements were taken in solid and solution states with the help of X-ray scattering and NMR spectroscopy. The investigations made will help to find diverse applications for this new, promising compound class.

Due to the vast conformational space proteins can adopt, accurate and efficient prediction of protein structure remains still a challenging task, coupled with the intricacies of interatomic interactions and the limitations of current computational models in effectively navigating this complex molecular landscape. Additionally, the lack of comprehensive experimental data for all protein structures further exacerbates the difficulty in reliable machine learning-based prediction of the three-dimensional conformations of the proteios building block of life. Geometrically, Cartesian coordinate system (CCS, X, Y and Z) and spherical coordinate system (SCS, ρ, θ and φ) are two interconvertible coordinate systems, and are like two sides of one coin. Since the beginning of Protein Data Bank (PDB) in 1971, CCS has been the default approach to specify atomic positions with X, Y and Z in PDB. In this manuscript, therefore, I present a novel method for the reversible spherical geometric conversion of protein backbone structure coordinate matrices to three independent vectors: ρ, θ and φ. This reversible conversion facilitates lossless extraction of essential structural features from protein backbone structural data, enabling the development of advanced novel algorithms for protein structure prediction in future. In short, this inter-atomic SCS approach offers a comprehensive yet efficient means of representing protein backbone geometry, leveraging spherical coordinates to capture spatial relationships in a compact and intuitive inter-atomic manner, and to provide a robust framework for reversible feature extraction for the ongoing efforts in advancing the field of protein structure prediction, the holy grail of computational structural biology.

This paper introduces an innovative approach to numerically model Structure-Soil-Structure Interaction (SSSI) by integrating the Boundary Element Method (BEM) and the Finite Element Method (FEM) in a coupled manner. To assess the accuracy of the proposed method, a comparative study is undertaken, comparing its outcomes with those generated by the conventional FEM technique. Alongside accuracy, the computational efficiency aspect is crucial for the analysis of large-scale SSSI problems. Hence, the computational performance of the coupled BEM-FEM method undergoes a thorough examination and is compared with that of the standalone FEM method. The results from these comparisons illustrate the superior capabilities of the proposed method in comparison to the FEM method. The novel approach provides more reliable results compared to traditional FEM methods, serving as a valuable tool for engineers and researchers involved in structural analysis and design.

This paper investigates the hydroelastic responses of offshore floating solar photovoltaic farms (OFPVs) to minimize structural motion. The OFPV usually occupies a large sea space in the order of hectares and due to its huge structural length-to-thickness ratio, the structural deformation under wave action has to be taken into consideration. The flexible deformation of the structure under hydrodynamic loading is termed the hydroelastic response. Due to the relatively long structural length with respect to the encountering wavelength, the diffraction and radiation of waves have to be taken into account to accurately represent the hydrodynamic loadings on the floating platform. The numerical model is first validated by comparing the eigenvalues and eigenvectors of the OFPV obtained from the proposed numerical scheme with their counterparts obtained from an established finite element software. This is followed by the investigation of the hydroelastic response of various OFPVs designed in varying layout configurations. The various layout configurations are obtained by altering the floating modular units’ dimensions as well as the spacing of the OFPVs when deployed adjacent to each other. The optimal configuration that gives the best performance in terms of the overall smallest response, known as compliance, is then suggested. The results suggest that a longish OFPV layout has a lower hydroelastic response and the motion could be further reduced by increasing the global flexural stiffness via layout arrangement.

In this research, a design method for the graded triply periodic minimal surface (TPMS) structures with lightweight, high-strength, and high sound absorption properties is proposed. The graded TPMS structures are controlled by linear, quadratic, and sine functions. Uniform TPMS and graded TPMS were manufactured by laser powder bed fusion (LPBF) with AlSi7Mg powder, and an acoustic impedance tube test, compression test, and digital image correlation (DIC) test were ap-plied to obtain the sound absorption and compression properties. The sound absorption coefficient of a uniform Gyroid increases as the number of layers and surface thickness increase, and it in-creases as element size decreases. The sound absorption peak shifts to low frequencies as the number of layers increases. The sound absorption property of Type-Ⅰ graded TPMS is superior to the Type-Ⅱ, and the G-LinearⅠ has the highest sound absorption properties among the three functions. It reveals that the graded TPMS has superior sound absorption performance at low and medium frequencies. The compression and DIC results of graded TPMS also show excellent mechanical properties and energy absorption characteristics.

By taking advantage of a stability criterion established recently, the critical temperature T_c is reckoned with help of the microscopic parameters, characterising the normal and superconducting electrons, namely the independent-electron band structure and a repulsive two-electron force. The emphasis is laid on the sharp T_c dependence upon electron concentration and inter-electron coupling, which might offer a practical route toward higher T_c values and help to understand why high-T_c compounds exhibit such remarkable properties.

In the Standard Model of elementary particles, the rest mass, magnetic moment and electric charge of the electron are considered to be natural constants. In this article it is proposed that these properties can be calculated in a simple way from the corresponding Planck units using the well-known period doubling phenomenon in nonlinear dynamical systems. Periods corresponding to the values of the electron and positron properties belong to a subset of stable periods. The periodic structures of the rest energy and magnetic moment consist of three internal degrees of freedom, whereas the Coulomb energy of the electric charge consists of four. The number of period doublings for the elementary charge determines the value of the fine structure constant alpha.

Transient flows result in unbalanced forces and high pressure in pipelines. Under these conditions, the combined effects of flow-induced forces along with sudden pipe displacements can create cracks in the pipeline, especially at the junctions. This situation consequently results in water leakage and reduced operational efficiency of the pipeline. In this study, displacements and stresses in a buried pressurized water transmission pipe installed by pipe jacking method are investigated using numerical modeling and considering interactions between fluid, pipe, and soil. The analyses were performed consecutively under no-flow, steady flow, and transient flow conditions, in order to investigate the effects of flow conditions on displacements and stresses in the system. Analyses of the results show that displacements and stresses in the jointed concrete pipes are significant under transient flow conditions. Moreover, because of pressure transient effects, maximum tensile stresses exceed the tensile strength of concrete at the junctions, leading to cracks and consequent water leakage.

Soil-transmitted helminthiasis (STH), a neglected tropical disease (NTD) remains a major health problem all over the world including Ghana, which has STH prevalence of 25.4%. To control the disease, the government of Ghana currently concentrates on implementing mass drug administration (MDA) efforts focusing only among school-aged children. However, various studies have suggested that focusing on only a specific group for MDA may not be cost-effective. Moreover, some adults such as teachers and school-workers spend large fraction of their time with children, who shed more parasite in environment due to unhygienic behavior, and thus have a higher risk of getting infected as compared to other adults. In this study we use a mathematical model to evaluate age-structured and risk-based policies for implementing MDA while capturing transmission dynamics of STH in Ghana. A cost model was developed that included various costs related to MDA to study cost-effectiveness of current policies of MDA in Ghana against novel policies to control STH in Ghana. We carry out analysis for five different scenarios— I: no MDA (baseline), II: current MDA policy (focusing children) in Ghana, III: MDA for different age groups (adults and children groups) for unlimited budget, IV: MDA for different age groups with limitations of number of individuals treated, and, V: MDA for different groups based on their risk of getting infected (adults school workers (high-risk group), adults non-school workers and children groups). Our results suggest that it might be more cost-effective to allocate treatment through MDA to at least some proportion of adults along with children. In case of unlimited budget, the best strategy in Scenario IV would be to treat approximately 22% of adults and approximately 45% of children. The most cost-effective among the 5 scenarios is suggested through scenario V, where high-risk adults group and children are provided MDA at higher level than low-risk adults. In conclusion, age-structured and risk-based allocation of treatment and resources is crucial to reducing STH load in developing countries.

Prolonged high-intensity grinding can modify the crystal structure of solid substances and/or induce chemical reaction, which is referred to as mechanochemical reaction. Such reactions can exert positive influences on hydrometallurgical processes, therefore, many researchers have applied mechanochemical reactions for metals dissolution from minerals. The mechanism of mechanochemical reaction has been investigated using solid analyses and simulations. Structural changes caused by mechanochemical reaction are not yet sufficiently clarified because the ground samples are amorphous. The objective of this study was to analyze structural changes of cerianite in weathered residual rare earth ore by mechanochemical reduction. Structural change was analyzed by x-ray absorption near-edge structure and extended x-ray absorption fine structure analysis at the cerium L_III- and K-edges. These analyses revealed that the structural change of cerianite in this ore induced by mechanochemical reduction involved oxygen vacancy production. The process of the oxygen vacancy formation was closely coupled with the quantum effect of localization–delocalization of the 4f electron of cerium.

We have proposed a data-driven approach for designing mesoscale porous structures of Li-ion battery electrode with three-dimensional virtual structures and machine learning techniques. Over 2,000 artificial 3D structures assuming positive electrode composed of random packed spheres as active material particles are generated, and charge/discharge resistance has been evaluated using simplified Physico-chemical model. In this model, resistance from Li diffusion in active material particles (diffusion resistance), transfer resistance of Li+ in electrolyte (electrolyte resistance) and reaction resistance on the interface between active material and electrolyte are simulated based on mass balance of Li, Ohm’s law in and linearized Butler-Volmer equation, respectively. Using these simulation results, regression models via Artificial Neural Network (ANN) have been created in order to predict charge/discharge resistance from porous structure features. In this study, porosity, active material particle size and volume fraction, pressure in the compaction process, electrolyte conductivity, and binder volume fraction are adopted as features, associated with controllable process parameters for manufacturing battery electrode. As results, the predicted electrode resistance by ANN regression model is good agreement with the simulated values. Furthermore, sensitivity analysis and optimization of the process parameters have been carried out. The proposed data-driven approach could be a solution as a guiding principle for manufacturing battery electrode.