Silicates are among the most abundant and important inorganic materials, not only in the Earth’s crust but also in the interstellar medium in the form of micro-/nano-particles or embedded in the matrices of comets, meteorites and other asteroidal bodies. Although the crystalline phases of silicates are indeed present in Nature, amorphous forms are also highly abundant. Here we report a theoretical investigation of the structural, dielectric and vibrational properties of the amorphous bulk for forsterite (Mg₂SiO₄) as a silicate test case by a combined approach of classical molecular dynamics (MD) simulations for structure evolution, and periodic quantum mechanical DFT calculations for electronic structure analysis. Using classical MD based on an empirical partial charge rigid ionic model within a melt-quenching scheme at different temperatures performed with the GULP 4.0 code amorphous bulk structures for Mg₂SiO₄ were generated using as initial guess the crystalline phase. This has been done for bulks with three different unit cell sizes adopting a super-cell approach; i.e., 1×1×2, 2×1×2 and 2×2×2. The radial distribution functions indicated a good degree of amorphisation of the structures. Periodic B3LYP-geometry optimizations performed with the CRYSTAL14 code on the generated amorphous systems were used to analyze their structure, to calculate their high frequency dielectric constants (ε_∞), and to simulate the IR, Raman and reflectance spectra, which were compared with the experimental and theoretical crystalline Mg₂SiO₄. The most significant changes of the physico-chemical properties of the amorphous systems compared to the crystalline ones are presented and discussed (e.g., larger deviations in the bond distances and angles, broadening of the IR bands, etc.), which are consistent with their disordered nature. It is also shown that by increasing the unit cell size the bulk structures present larger degree of amorphisation.

The sustainability of irrigated agriculture depends on the quality of irrigation water used. The electrolyte concentration (EC) of irrigation water may lead to the accumulation of salts in the root zone layers and affect the physiological functions of the crop by osmotic and ion toxicity effects. Further, the cationic and anionic composition of the water may alter the exchangeable cation composition of the soil and as well as its pH. Because of the dominance of sodium salts in many sources of irrigation water, parameters related to sodium such as exchangeable sodium percentage (ESP) of soils and sodium adsorption ratio (SAR) of soil solutions have been commonly used to study the effects of sodium in irrigation water on soil structural stability. Quirk and Schofield concept of ‘threshold electrolyte concentration’ (TEC) has shown the importance of electrolytes in preventing the effects of sodium on soil structure. Based on this concept, several models have been proposed to relate ESP or SAR with EC to predict the possible impacts of irrigation water on soil structural stability. However, many research reports indicate that this relationship varies with soils and a given model is not suitable for all types of soils. Further, the effects of potassium and magnesium in the processes leading to clay dispersion are disregarded in these models. This essay analyses all the factors involved in the structural failure of soils with different cationic composition, identify the defects in these TEC models and re-defines TEC on the basis of new insights on dispersive and flocculating charges of soils. This review does not deal with EC effects on crops and also the role of contaminant ions not involved with soil structural stability.

Structural system design is the process of giving form to a set of interconnected components subjected to loads and design constraints while navigating a complex design space. While safe designs are relatively easy to develop, optimal designs are not. Modern computational optimization approaches employ population based metaheuristic algorithms to overcome challenges with the system design optimization landscape. However, the choice of the initial population, or ground structure, can have an outsized impact on the resulting optimization. This paper presents a new method of generating such ground structures, using a combination of topology optimization (TO) and a novel system extraction algorithm. Since TO generates monolithic structures, rather than systems, its use for structural system design and optimization has been limited. In this paper, truss systems are extracted from topologies through morphological analysis and artificial intelligence techniques. This algorithm, and its assessment, constitutes the key contributions of this paper. The structural systems obtained are compared with ground truth solutions to evaluate the performance of the algorithms. The generated structures are also compared against benchmark designs from the literature. The results indicate that the presented truss generation algorithm produces structures comparable to those generated through metaheuristic optimization, while mitigating the need for assumptions about initial ground structures.

The design of curved surface sliders (CSS) based on the elastic response spectrum is done by iteration to find the combination of friction coefficient and displacement capacity which satisfies the condition that the maximum horizontal CSS force is equal to the horizontal force of the structure. Although this CSS design is valid it does not necessarily minimize structural acceleration. This paper therefore describes the optimum CSS design for minimum structural acceleration. All valid CSS designs and the optimum CSS design are represented by their associated trajectory in the elastic response spectrum plane which visualizes the optimization problem. The results demonstrate that the optimum CSS design is not obtained at maximum tolerated effective damping ratio. The subsequent sensitivity analysis describes how much the structural acceleration increases if the actual friction coefficient of the real CSS deviates from its optimum design value. The analysis points out that the increase in structural acceleration is approximately one order of magnitude smaller than the deviation in friction. The sensitivity data may be used by structural engineer to determine tolerable deviations in friction coefficient which still results in acceptable structural accelerations.

The yield of logging in a forest management area using only the volume variable is not sufficient to assess effective wood productivity. The objective was to evaluate production using different logging variables to point out possible divergences between what was planned and what was actually carried out, in order to indicate adjustments to annual operating plans (AOPs) in the Amazon. The database comes from a community forest management area in the Tapajós National Forest, con-sidering three sources: 100% inventory, AOP planning and the post-exploration report. The pro-duction yield considering the number of trees felled and the effective volume were compared with the AOP planning. The volume estimated by the generic equation was compared with the cubed volume and the commercial height variable was evaluated. Of the 6,267 trees selected, 5,090 trees were harvested (3.2 trees.ha-1), indicating a yield of 85.0% of the estimated volume. Of the 25 commercial species logged, the most representative were: Manilkara huberi, Vochysia maxima, Lec-ythis lurida, Couratari guianensis and Hymenaea courbaril. It can be concluded that the number of trees, cubed volume and commercial height are post-exploration yield response variables and not just volume, as is currently used in SFMPs.

This study explores the evolution of price-to-book (P/B) ratios among European banks from 2005 to 2020, period where the majority of banks in different countries had a P/B ratio below 1. By dissecting banks' accounting equity into investor contributions and earnings-derived components, the research aims to evaluate how each component of equity affects these ratios and investigates whether their dynamics shifted during the period. We address a gap in prior research that has not extensively examined how individual equity components affect the overall P/B ratio. This aspect is crucial, especially in scenarios where the increase of specific components compensates for declines in others, thereby stabilizing total equity values. Our methodology involves regression analyses using a panel data model with random effects. The findings reveal that earnings-related equity components significantly influence P/B ratios. In contrast, investor contributions; which strengthen the solvency of the entity, appear to have a minimal impact. Additionally, our analysis highlights a significant quadratic relationship between the P/B ratios and both the profit or loss reported on Income Statements and distributed dividends.

Membrane nanotubes (NTs) are dynamic communication channels connecting spatially separated cells even over long distances and promoting the transport of different cellular cargos. NTs are also involved in the intercellular spread of different pathogens and the deterioration of some neuro-logical disorders. Transport processes via NTs may be controlled by cytoskeletal elements. NTs are frequently observed membrane projections in numerous mammalian cell lines including various immune cells, but their functional significance in the ‘antibody factory’ B cells is poorly elucidated. Here we report that as active channels, NTs of B cells can mediate bidirectional mitochondrial transport, promoted by the cooperation of two different cytoskeletal motor proteins, kinesin along microtubules and myosin VI along actin, and bidirectional transport processes are also supported by the heterogeneous arrangement of the main cytoskeletal filament systems of the NTs. We revealed that despite NTs and axons being different cell extensions the mitochondrial transport they mediate may exhibit significant similarities. Furthermore, we found that microtubules may improve the stability and lifespan of B cell NTs, while F-actin strengthens NTs by providing a structural framework for them. Our results may contribute to a better understanding of the regulation of the major cells of humoral immune response to infections.

Background: Every year, millions of people are hospitalized, and thousands die from influenza A virus (FLUAV) infection. Most cases of hospitalizations and death occur among elderly. Many of these elderly patients are reliant on medical treatment of underlying chronic diseases, such as arthritis, diabetes, and hypertension. We hypothesized that the commonly prescribed medicines for treatment of underlying chronic diseases can affect host responses to FLUAV infection, and thus contribute to morbidity and mortality associated with influenza. Therefore, the aim of this study was to examine whether commonly prescribed medicines could affect host responses to virus infection in vitro. Methods: We first identified 45 active compounds of medicines commonly prescribed in Central Norway. Then we constructed a drug-target interaction network and identified potential implication of these interactions for FLUAV-host cell interplay. Finally, we tested the effect of 45 drugs on viability, transcription and metabolism of mock- and A/WSN/33(H1N1)-infected human retinal pigment epithelial (RPE) cells. Results: In silico drug-target interaction analysis revealed that many drugs, such as acetylsalicylic acid, atorvastatin, candesartan, and hydroxocobalam, could target and modulate FLUAV-host cell interaction. In vitro experiments showed that these and other compounds at non-cytotoxic concentrations differently affected transcription and metabolism of mock- and FLUAV-infected cells. Conclusion: Many commonly prescribed drugs modulate FLUAV-host cell interactions in vitro and therefore could affect their interplay in vivo, thus, contributing to morbidity and mortality of patients with influenza virus infections.

Background: Anthropometric measurements play a crucial role in medico-legal practices. Actually, several scanning technologies are employed in post-mortem investigations for forensic anthropological measurements. This study aims to evaluate the precision, in-ter-rater reliability, and accuracy of a hand-held scanner in measuring various body parts. Methods: Three independent raters measured seven longitudinal distances using an iPad Pro equipped with a LiDAR sensor and specific software. These measurements were sta-tistically compared to manual measurements conducted by an operator using a laser level and a meterstick (considered the gold standard). Results: The Friedman’s test revealed minimal intra-rater variability in digital measurements. Inter-rater variability analysis yielded an ICC=1, signifying high agreement among the three independent raters. Addi-tionally, the accuracy of digital measurements displayed errors below 2%. Conclusions: Preliminary findings demonstrate that the pairing of LiDAR technology with the Polycam app showcases high precision, inter-rater agreement, and accuracy. Hand-held scanners show potential in forensic anthropology due to their simplicity, affordability, and porta-bility. However, further validation studies under real-world conditions are essential to es-tablish the reliability and effectiveness of handheld scanners in medico-legal settings.

This paper presents an original method of additive manufacturing of cylindrical parts with variable circumference thickness, which allows the control of the deposition of molten material using an algorithm for decomposing the part geometry into volumetric elements with known dimensional configuration. In the absence of a post-processor capable of controlling additive manufacturing on a 5-axis numerical control machine, control of the deposition of molten material is done using parameterized programs, which can control both the feed speeds of the machine tool axes and the specific functions of the printing equipment. Additive manufacturing can make a positive contribution to sustainable development compared to traditional manufacturing technologies, thus making a positive contribution for a sustainable future. The aim of the work is to make it possible to 3D print parts with variable wall thickness using a CNC machining centre. To obtain the variable thickness layer we have implemented an original method of deposition with molten material (FDM), the coordination of the system composed of physical elements respectively programmable elements, is realized through control functions materialized in parameterized part programs, the generated outputs being the variable speed of the machine axes on a circular trajectory, the angular positioning, the filament advance.

Ribosome assembly is one of the most fundamental processes in gene expression and has served as a playground to investigate the molecular mechanisms of how protein-RNA complexes (RNPs) assemble. The bacterial ribosome is composed of around 50 ribosomal proteins several of which are co-transcriptionally assembled on a ~4,500 nucleotides long pre-rRNA transcript that is further processed and modified during transcription, the entire process taking around 2 minutes in vivo and assisted by dozens of assembly factors. How this complex molecular process works so efficiently to produce an active ribosome has been investigated over decades and has resulted in the development of a plethora of novel approaches that can also be used to study the assembly of other RNPs. Here we review biochemical, structural and biophysical methods that have been developed and integrated to provide a detailed and quantitative understanding of this complex and intricate molecular process of assembly. We also discuss emerging cutting-edge approaches that could be used in the future to study how transcription, rRNA processing, cellular factors and the native cellular environment shape ribosome assembly and RNP assembly at large.

Naltrexone (NTX) is a potent opioid antagonist with good blood-brain barrier permeability, targeting different endogenous opioid receptors, particularly the mu-opioid receptor (MOR). Therefore, it represents a promising candidate for drug development against drug addiction. However, the details of the molecular interactions of NTX and its derivatives with MOR are not fully understood, hindering ligand-based drug discovery. In the present study, taking advantage of the high-resolution X-ray crystal structure of the murine MOR (mMOR), we constructed a homology model of the human MOR (hMOR). A solvated phospholipid bilayer was built around the hMOR and submitted to microsecond (µs) molecular dynamics (MD) simulations to obtain an optimized hMOR model. NTX and its derivatives were docked into the optimized hMOR model and submitted to µs MD simulations in an aqueous membrane system. The MD simulation results were submitted to Molecular Mechanics Generalized-Born surface area (MMGBSA) binding free energy calculations and principal component analysis. Our results revealed that NTX and its derivatives showed differences in protein-ligand interactions; however, they shared contact with residues at TM2, TM3, H6, and TM7. The binding free energy and principal component analysis revealed the structural and energetic effects responsible for the higher potency of NTX compared to its derivatives.

Microtubule organizing centers (MTOCs) perform critical cellular tasks by nucleating, stabilizing and anchoring microtubule’s minus ends. These capacities impact tremendously a wide array of cellular functions ranging from ascribing cell shape to orchestrating cell division and generating motile structures, among others. The phylum Apicomplexa comprises over 6000 single-celled obligate intracellular parasitic species. Many of the apicomplexan are well known pathogens such as Toxoplasma gondii and the Plasmodium species, causative agents of toxoplasmosis and malaria, respectively. Microtubule organization in these parasites is critical for organizing the cortical cytoskeleton, enabling host cell penetration and the positioning of large organelles, drive cell division and direct the formation of flagella in sexual life stages. Apicomplexans are a prime example of MTOC diversity displaying multiple functional and structural MTOCs combinations within a single species. This diversity can only be fully understood in light of each organism's specific MT nucleation requirements and their evolutionary history. Insight into apicomplexan MTOCs had traditionally been limited to classical ultrastructural work by transmission electron microscopy. However, in the past few years, a large body of molecular insight has emerged. In this work we describe the latest insights into nuclear MTOC biology in two major human and animal disease causing Apicomplexans; Toxoplasma gondii and Plasmodium spp.

In the application of classical nucleation theory (CNT) and all other theoretical models of crystallization of liquids and glasses it is always assumed that nucleation proceeds only after the supercooled liquid or the glass have completed structural relaxation processes towards the metastable equilibrium state. Only employing such assumption, the thermodynamic driving force of crystallization and the surface tension can be determined in the way it is commonly performed. The present paper is devoted to the theoretical treatment of a different situation when nucleation proceeds concomitantly with structural relaxation. To treat the nucleation kinetics theoretically for such cases, we need adequate expressions for the thermodynamic driving force and the surface tension accounting for the contributions caused by the deviation of the supercooled liquid from metastable equilibrium. In the present paper, such relations are derived. They are expressed via deviations of structural order parameters from their equilibrium values. Relaxation processes result in changes of the structural order parameters with time. As a consequence, the thermodynamic driving force and surface tension, and basic characteristics of crystal nucleation, such as the work of critical cluster formation and the steady-state nucleation rate, also become time-dependent. We show that this scenario may be realized in the vicinity and below the glass transition temperature, and it may occur only if diffusion (controlling nucleation) and viscosity (controlling the alpha-relaxation process) in the liquid decouple. Analytical estimates are illustrated and confirmed by numerical computations for a model system. The theory is successfully applied to the interpretation of experimental data. Several further consequences of this newly developed theoretical treatment are discussed in detail. In line with our previous investigations, we reconfirm that only when the characteristic times of structural relaxation are of similar order of magnitude or longer than the characteristic times of crystal nucleation, elastic stresses evolving in nucleation may significantly affect this process. Completing the analysis of elastic stress effects, for the first time expressions are derived for the dependence of the surface tension of critical crystallites on elastic stresses. As the result, a comprehensive theoretical description of crystal nucleation accounting appropriately for the effects of deviations of the liquid from the metastable states and of relaxation on crystal nucleation of glass-forming liquids, including the effect of simultaneous stress evolution and stress relaxation on nucleation, is now available. As one if its applications, this theoretical treatment provides a new tool for the explanation of the low-temperature anomaly in nucleation in silicate and polymer glasses (the so-called \breakdown" of CNT at temperatures below the temperature of the maximum steady-state nucleation rate). We show that this anomaly results from much more complex features of crystal nucleation in glasses caused by deviations from metastable equilibrium (resulting in changes of the thermodynamic driving force, the surface tension, and the work of critical cluster formation, in the necessity to account of structural relaxation and stress effects) than assumed so far.

Iron overnutrition has been implicated with higher risk of developing metabolic and cardiovascular diseases, including metabolic syndrome (MetS), while iron deficiency anemia exacerbates many underlying chronic conditions. Hemoglobin (Hb) concentration in the blood, which reflects a major functional iron (i.e., heme iron) in the body, may serve as a surrogate of iron nutrition status. We conducted sex-specific observational association studies where we carefully titrated the association between Hb deciles and MetS and its components among the Taiwanese Han Chinese (HC) from the Taiwan Biobank and Europeans of White ancestry from the UK Biobank, representing two large ethnicities. Our data show that at higher-than-normal levels of Hb, increasing deciles of Hb concentration were significantly associated with MetS across all sex subgroups in both ethnicities, with the highest deciles resulting in up to three times greater risks than the reference group [Taiwanese HC: OR=3.17 (95% CI, 2.75-3.67) for Hb >16.5 g/dL in men, OR=3.11 (2.78-3.47) for Hb >14.5 g/dL in women; European Whites: OR=1.89 (1.80-1.98) for Hb >16.24 g/dL in men, OR=2.35 (2.24-2.47) for Hb >14.68 g/dL in women]. The association between stronger risks and increasing Hb deciles was similarly observed with all metabolic components except diabetes. Here we found that both the highest Hb decile groups and contrarily the lowest ones, with respect to the reference, were associated with higher odds of diabetes in both ethnic groups [e.g., Taiwanese HC men: OR=1.64 (1.33-2.02) for Hb >16.5 g/dL, OR=1.71 (1.39-2.10) for Hb <13.5 g/dL; European Whites women: OR=1.39 (1.26-1.45) for Hb >14.68 g/dL, OR=1.81 (1.63-2.01) for Hb <12.39 g/dL]. These findings confirm that elevated Hb concentrations, a potential indicator of iron overnutrition, may play a role in the pathophysiology of MetS and metabolic components.

Anemia and thyroid disorders are global health issues that affect all ages but are more apparent in women. In this case, some serological components responsible for IDA and TSH disorders in women have been found actively regulated through a complex steroidal-calcitriol mediated pathway. This research has been investigated the correlation between Calcitriol and the serological components responsible for IDA and TSH disorders in childbearing and non-child-bearing women of different health conditions. Experimental sampling from 452 women suffering from both IDA and TSH disorders were taken, aged between 0 and 70 years. Serological parameters, such as iron, total iron-binding capacity and ferritin, were assessed for IDA profiling, whereas thyroid-stimulating hormone and free thyroxin were for TSH profiling based on the individual’s serum calcitriol status. The resulted serological data were interpreted using sophisticated computer programming language and algorithms for quantitative biochemical analysis. The study resulted in a significant correlation between FT4 and Calcitriol (P<0.0001) for all age groups. TSH also showed strong interactions with the fluctuation of calcitriol level (P<0.0001), except for the children aged below 10 years (P<0.063). The iron, TIBC, TSH, and FT4 showed phenomenal regulation with the steroidal-calcitriol concentration for congenital patients. Unlike the others, ferritin has a substantial connection with Calcitriol (P<0.0064) fluctuation in the serum. To ratify, the concentrations of TSH, FT4, iron, TIBC, and ferritin were found to be significantly interconnected in terms of serum calcitriol level in women suffering from IDA and TSH disorders simultaneously. To understand the accuracy and efficacy of the Calcitriol in IDA and TSH disorders, some other inflammatory markers and parathyroid hormone analysis are need in future studies, besides a large number of samples.

The advancement of high-temperature structural materials is crucial for the efficiency and performance of modern gas turbines, which are widely used in aviation and power generation. This paper explores the development and optimization of materials capable of withstanding extreme temperatures, mechanical stresses, and corrosive environments within turbine engines. The focus is on nickel-based superalloys, ceramic matrix composites (CMCs), and emerging materials such as high entropy alloys (HEAs) and refractory metals. Nickel-based superalloys are the current standard due to their excellent high-temperature strength and creep resistance, while CMCs offer potential for weight reduction and improved thermal efficiency. High entropy alloys, characterized by their unique multi-component systems, present promising properties including high strength and oxidation resistance at elevated temperatures. Additionally, advances in coating technologies and additive manufacturing are enhancing the durability and performance of these materials. The paper also discusses the challenges associated with material development, including the trade-off between strength and ductility, manufacturing complexities, and the need for long-term performance data. Future research directions are identified, focusing on the integration of computational materials science and advanced characterization techniques to accelerate the discovery and implementation of next-generation high-temperature materials. The successful development of these materials is essential for improving the efficiency and reducing the environmental impact of gas turbines.

Аннотация . Периодически развиваются самоподобные движения структурно-вещественных комплексов (СМК) из состава Солнечной системы в течение периода около 4,5 миллиардов лет земной коры, развития Земли в условиях самоорганизации. Синхронные или близкие во времени ряды генетических или парагенетических групп магматических, рудно-минеральных, метасоматических, осадочных образований, их структур и других сопутствующих им процессов, включают в себя каждый комплекс (ГМК). Каждый комплекс в его пределах ограничен во времени и пространстве, по причине признаков самопроизвольного динамического процесса; распространяется на территорию Земли в текущий исторический период; формирует состав и структуру земной коры на этом этапе, определяя ее полициклическое развитие. Количество циклов около 14,

A temporary monitoring system was installed on the 175-years-old historical Széchenyi chain bridge under its reconstruction process. The bridge is in the downtown area of the capital city of Hungary and plays a significant role in city life of Budapest. Six-month-long measurements were conducted during the reconstruction process of the bridge, yielding crucial insights into the structural behaviour of the historical structure. Measurement results were evaluated; the findings encompass the rotation capacity of pins between chain elements, and structural response to temperature changes. This information helped the decision-making of designers and construction company during the reconstruction made between 2021 and 2023. For instance, daily temperature fluctuations result in increased bending moments in the chain elements, rising up to 158% compared to the values observed during a proof load test in 2018. Furthermore, the measurements reveal an approximate 42% increase in normal forces compared to the proof load test, which highlights the high sensitivity of chain bridges to temperature fluctuations, where geometric stiffness plays a crucial role. Reconstruction, reducing self-weight, notably intensifies the impact on normal forces and bending moments. These outcomes strongly emphasize the dominance of dead load and self-weight in the case of chain bridges.

The fine structure of Apricot pectin polysaccharides is discussed from both literature and recent work we have performed. Structural characterization utilized 1D and 2D homo- and hetero-nuclear NMR spectroscopy including results from High Performance Size Exclusion Chromatography (HP-SEC), HP Anion-Exchange Chromatography with Pulsed Amperometric Detection (HPAEC-PAD) and FTIR spectroscopy. The purified pectin fraction (F1AP) was found to be composed of D-galacturonic acid, L-rhamnose, D-arabinose and D-galactose in a 1.0 : 0.1 : 0.36 : 0.12 molar ratio, respectively, which is consistent with a pectin RG-1 branched with arabinogalactan side chain polysaccharides, and has a weight-average molecular weight of approximately 1588.2 kDa. The slope of the hydrodynamic radius versus the molar mass was 0.57, indicating the presence of coil conformations. The results from HPAEC-PAD, HPSEC and NMR spectroscopy (1H, 13C, zTOCSY, HSQC, HSQCTOXY and HMBC) demonstrated that F1AP fine fraction F1AP1, derived from original F1AP, has a backbone of (1→4)-linked -D-galacturonic acid and -L-rhamnopyranosyl residues branched with arabinogalactan of multiply glycosidic linkages of T- α-Araf, 3-α-Araf, 5-α-Araf, T- α -Arap, 2- α-Arap side chains, having methyl and acetylated groups, and has high molecular weights (1945 kDa). While the other F1A6 fraction consists predominately of an HG region of pectin polysaccharides with low molecular weights (117.5 kDa), less aggregated. The F1AP1 polysaccharide was highly viscous and its hydrodynamic radius was 64,3 nm. The exponent b of Rh-Mw (conformation plot) was determined to be 0.48, indicating a compact flexible coil conformation of the macromolecule in solution. However, the F1AP6 fraction of apricot fruits belong to backbone of repeats units of [-(1→4)-α-D-GalpA-1]n – both HG and partly contents RG-II polysaccharides, bearing heterosugar sidechains, including α-Ara, α -Rha and β-Gal residues and adopt more stiffness rod like conformation.

Bundle recommendation is provided to users by combining related items into a bundle, enhancing the user's shopping experience and increase the merchant's sales revenue. Despite the success of existing solutions based on Graph Neural Networks(GNN), there are still some significant challenges: (1)It is demanding to explicitly model multiple complex associations using standard graph neural networks. (2)Numerous additional nodes and edges are introduced to approximate higher-order associations. (3)The user-bundle historical interaction data is highly sparse. In this work, we propose a Global Structural Hypergraph Convolution model for Bundle Recommendation (SHCBR) to address the above problems. Specifically, we jointly incorporate multiple complex interactions between users, items, and bundles(three entities) into a relational hypergraph without introducing additional nodes and edges. Higher-order associations are already involved in the hypergraph structure which alleviate the training burden of neural networks and the dilemma of scarce data. In addition, we design a special matrix propagation rule that captures non-pairwise complex relationships between entities. Using item nodes as links, hypergraph convolution propagation between user and bundle nodes generates the learned representations. Experimental results on two real-world datasets demonstrate that SHCBR outperforms the state-of-the-art baselines by 11.07%-25.66\% on Recall and 16.81%-33.53% on NDCG. We publicly release the codes and datasets at https://github.com/Lxtdzh/SHCBR-master/.

Biology is about structure. Structures within structures. Organs within animals, tissues within organs, cells within tissues, and molecules, often proteins within cells. The structures are so complex that they can only be described by numbers. No numbers are of more importance than those that describe proteins. The numbers that describe coordinates of its atoms, often determined by Patterson functions (which are inverse Fourier Transforms of intensities) of crystal diffraction. Without these numbers, structural biology would hardly exist. Without numbers, engineering would not exist. Numbers are surely needed by the engineers who produce the x-rays diffracting from atoms of protein crystals. Devices of engineering have function. They are built to implement equations. Engineering devices use structures to implement equations, when power is supplied at the right places, that produces appropriate flows. Flows are the essence of life. Equilibrium means death in most living systems. Flows in biological structures are hard to analyze because we do not know input output equations in advance. Sometimes we do not know their function. Flows, forces, and structures of life (like those of engineering) are related by field equations of conservation laws, partial differential equations, constrained by location and properties of structures. Constraints are boundary conditions located on the complicated domain of biological structure. Dealing with this complexity is simplified if one systematically analyzes structure using the most general field theory known, electricity described by the Maxwell equations, without significant known error. Currents are involved because flows of biology usually involve migration of charges, convection of water and solutes, diffusion of ions that form the plasma of life, and their interactions. Interactions can dominate function. Here I show how a few complex structures can be understood in engineering detail. This approach may be useful in dealing with biological and medical issues in many other cases. In one limited case—the clearance of a toxic waste (potassium ions) from the optic nerve—this approach seems to have succeeded.

Infection with Zika virus (ZIKV), a member of the Flavivirus genus of the Flaviviridae family, typically results in mild self-limited illness, but severe neurological disease occurs in a limited subset of patients. In contrast, serious outcomes commonly occur in pregnancy that affect the developing fetus, including microcephaly and other major birth defects. The genetic similarity of ZIKV to other widespread flaviviruses, such as dengue virus (DENV), presents a challenge to the development of specific ZIKV diagnostic assays. Nonstructural protein 1 (NS1) is established for use in immunodiagnostic assays for flaviviruses. To address the cross-reactivity of ZIKV NS1 with proteins from other flaviviruses we used site-directed mutagenesis to modified putative epitopes. Goat polyclonal antibodies to variant ZIKV NS1 were affinity-purified to remove antibodies binding to the closely related NS1 protein of DENV. An antigen-capture ELISA configured with the affinity-purified polyclonal antibody showed a linear dynamic range between approximately 500 to 30 ng/mL, with a limit of detection of between 1.95 and 7.8 ng/mL. NS1 proteins from DENV, yellow fever virus, St. Louis encephalitis virus and West Nile virus showed significantly reduced reactivity in the ZIKV antigen-capture ELISA. Refinement of approaches similar to those employed here could lead to development of ZIKV-specific immunoassays suitable for use in areas where infections with related flaviviruses are common.

Graphite nanoplatelets (GNPs) were produced from flake graphite that had been immersed in isopropyl alcohol solution (70%) and converted to powder form in an ultrasonic bath (5 h, room temperature). Scanning and transmission electron microscopy, X-ray diffractometry, and Raman spectroscopy identified 120-nm-thick GNP crystallites and 0.5–21 µm plates with different areas and shapes. Extensive exfoliation was observed by transmission electron microscopy with abundant multilayer and some monolayer GNPs. X-ray diffractometry confirmed 43 GNP layers along the c-axis. Raman spectroscopy indicated well-defined GNPs with few defects and no oxide content. Rietveld analysis indicated a GNP crystal lattice with stacks of parallel two-dimensional graphene layers and tightly bound hybridized carbon atoms stacked in a translational …ABAB… sequence in hexagonal rings.

In view of intensified disasters and fatalities caused by natural phenomena and geographical expansion, there is a pressing need for a more effective environment logging for a better management and urban planning. This paper proposes a novel utility computing model (UCM) for structural health monitoring (SHM) that would enable dynamic planning of monitoring systems in an efficient and cost-effective manner. The proposed UCM consists of network-attached data drive that stores data from SHM logger, population count system and Geographic Information System (GIS) enhanced with a Cloud IoT data backup, display, and analysis server. The UCM using this data and data from building information systems applies a simple machine learning algorithm to generate real-time structure health and suggests re-planning of SHM units. The health of structure varies dynamically with disturbances created by higher occupancy and structure density per zone. The proposed SHM-UCM is unique in terms of its capability to manage heterogeneous SHM resources. This was tested in a case study on Qatar University (QU) in Doha Qatar, where it looked at where SHM nodes are distributed along with occupancy density in each building. This information was taken from QU simulated occupation and zone calculation models and then compared to ideal SHM system data. Results show the effectiveness of the proposed model in logging and dynamically planning SHM.

1) Introduction: Brain parcellation is an important processing step in the analysis of structural brain MRI. Existing software implementations are optimized for fully developed adult brains, and provide inadequate results when applied to neonatal brain imaging. 2) Methods: We developed a semi-automated pipeline, NeBSS, for extracting 50 discrete brain structures from neonatal brain MRI, using an atlas registration method that leverages the existing ALBERT neonatal atlas 3) Results: We demonstrate a simple linear workflow for neonatal brain parcellation. NeBSS is robust to variation in imaging acquisition protocol and magnet field strength. 4) Conclusion: NeBSS is a robust pipeline capable of parcellating neonatal brain MRIs using a simple processing workflow. NeBSS fills a need in clinical translational research in neonatal imaging, where existing automated or semi-automated implementations are too rigid to be successfully applied to multi-center neuroprotection studies and clinically heterogeneous cohorts. The software is open source and freely available.

In order to explore the combustion performance of a non-road air-cooled two-cylinder turbocharged diesel engine, an experiment on the effects of engine compression ratio, combustion chamber shape and injection timing were systematically conducted in this study. Moreover, the effects of intake air conditions on combustion performance were numerically investigated using the one-dimensional simulation platform. The findings of this study could help provide new insights for promoting the sustainable development of diesel engines used in generator sets. The results show that the increase of intake air temperature can delay the combustion center of gravity, and improve the combustion performance and the sustainability of diesel engines. The decrease of intake air pressure will lead to a reduction in oxygen amount during the combustion process, thus causing a deterioration of cylinder pressure and combustion performance. By modifying the combustion chamber, the ignition delay and combustion duration are each extended by 1.6 degrees and 4.2 degrees under 100% engine load. The ignition delay and combustion duration are not obviously affected by modifying the combustion chamber shape under 25% and 50% loads. By increasing the compression ratio from 19.5 to 20.5, the ignition delay and combustion duration are shortened, which could enhance the cylinder pressure and heat release rate. However, reducing the compression ratio from 19.5 to 18.5 could significantly decrease the heat release rate. Under middle and low loads, combustion duration is less affected by injection timing. Under 100% load, the peak cylinder pressure increases to 11.4 MPa, and the ignition delay is shortened by advancing injection timing from -17°CA to -20°CA.

Electric propulsion systems have emerged as a disruptive technological approach towards achieving sustainable and climate-neutral aviation. To expand the operational envelope of such propulsion units in terms of altitude and velocity, an enclosing duct and counter-rotating rotors to enhance efficiency can be utilized. In this study, an iterative CFD-based design tool developed for these novel propulsion systems is utilized to design a reference engine. A substantial reduction in discrepancies between initial specifications, subsequent CFD simulations, and experimental investigations compared to conventional design tools relying on empirical formulations can be demonstrated using a classic rotor-stator configuration. This allows the CFD-based tool to be validated for designing scalable counter-rotating fan engines. Furthermore, to facilitate the transferability of research on such propulsion systems, a validated manufacturing process for composite blades is presented. This effort aims to make state-of-the-art technology accessible to smaller research projects, promoting the widespread adoption of electric propulsion technology in the aviation sector.

To accurately predict the matching relationships between the various components and the engine performance in the whole aero-engine environment, this study introduces a two-dimensional throughflow simulation method for the whole aero-engine. This method is based on individual throughflow solvers for the turbo-machinery and the combustor. It establishes a throughflow simulation model for the whole engine by integrating with the compressor-turbine co-operating equations and boundary conditions. The turbo-machinery throughflow solver employs a circumferentially averaged form of the time-dependent Navier-Stokes equations (N-S) as the governing equation. The combustor solver uses the Reynolds Average Navier-Stokes (RANS) method to solve flow and chemical reaction processes by constructing turbulence, combustion, and radiation models. The accuracy of the component solver is validated using Pratt &amp; Whitney’s three-stage axial compressor (P&amp;W3S1) and General Electric’s high-pressure turbine (GE-EEE HPT), and the predicted results are consistent with the experimental data. Finally, the developed throughflow method is applied to simulate the throttling characteristics of the WZ-X turboshaft engine. The results predicted by the throughflow program are consistent with the GasTurb calculations, including the trends of shaft power delivered, specific fuel consumption (SFC), inlet airflow, and total pressure ratio of the compressor. The developed method to perform throughflow simulation of the whole aero-engine eliminates the dependence on a general component map. It can quickly obtain the meridian flow field parameters and overall engine characteristics, which is expected to guide the design and modification of the engine in the future.

Estimating the Remaining Useful Life (RUL) of aircraft engines holds a pivotal role in enhancing safety, optimizing operations, and promoting sustainability, thus being a crucial component of modern aviation management. Precise RUL predictions offer valuable insights into an engine’s condition, enabling informed decisions regarding maintenance and crew scheduling. In this context, we propose a novel RUL prediction approach in this paper, harnessing the power of Bi-directional LSTM and Transformer architectures, known for their success in sequence modeling, such as natural languages. We adopt the encoder part of the full Transformer as the backbone of our framework, integrating it with a self-supervised denoising autoencoder that utilizes Bidirectional LSTM for improved feature extraction. Within our framework, a sequence of multivariate time series sensor measurements serves as the input, initially processed by the Bidirectional LSTM autoencoder to extract essential features. Subsequently, these feature values are fed into our Transformer encoder backbone for RUL prediction. Notably, our approach simultaneously trains the autoencoder and Transformer encoder, different from the naive sequential training method. Through a series of numerical experiments carried out on the C-MAPSS datasets, we demonstrate that the efficacy of our proposed models either surpasses or stands on par with that of other existing methods.

Bitumen is produced from non-renewable natural resources, continuously deplete and intrigues researchers to look for alternative binders. Annually, tons of waste engine oil (WEO) and crumb rubber (CR) are discarded unsustainably and pose a significant environmental threat. Adding these industrial waste products to asphalt provides a safe and cost-effective way for their disposal and improves the bitumen's performance in parallel. This study uses various combinations of waste engine oil and crumb rubber with 60/70 penetration grade bitumen to produce a partially synthetic bitumen. Adhesion being one of the critical characteristics of the bituminous binder has been assessed using the bitumen bond strength test along with physical and rheological properties. Results showed that waste engine oil with crumb rubber inclusion increases penetration and decreases the softening point, viscosity, complex modulus, and bonding strength. Additionally, polyphosphoric acid (PPA) in smaller dosages was also incorporated into the optimum percentage of CR + WEO to improve the properties of the binder. The results confirm that binder modification with waste engine oil and crumb rubber can be more effective with PPA. It is concluded that 35% of waste can replace the virgin binder giving a cost-effective and environmentally friendly solution.

Desertification is a global environmental and socio-economical issue threatening humanity's survival and development. The Shiyang River Basin ecosystem is vulnerable and prone to desertification. In addition, establishing the quantitative analysis of desertification driving factors and understanding their relative contribution, separately or combined, is still an unresolved problem. The present study applied geographic information system (GIS) techniques and a geographic detector model to quantify desertification spatial extent and driving mechanisms. This research utilized Fractional Vegetation Cover (FVC) to elucidate desertification spatial heterogeneity. The 30 years Coefficient of Variation (CV) of the Normalized Difference Vegetation Index (NDVI) was a dependent variable and indicator of ecosystem terrestrial conditions; Elevation, near-surface air temperature, precipitation, wind velocity, land cover change, soil salinity, road buffers, waterway buffers, and soil types were independent variables. The results showed that 89.41% of the total area is under desertification risk, where 20.99% is extremely desertified, 34.45% is severely desertified, 12.05% is moderately, and 21.92% is slightly desertified. The results from the Geodetector model showed that Power Determinant (PD) values ranged between 0.004 and 0.270. Elevation and soil types had the highest contributing factors with PD values of 0.270 and 0.227, whereas precipitation, soil salinity, the buffer of the waterway, and wind velocity played a moderate role with PD values of 0.146, 0.117, 0.107, and 0.071. Near-surface air temperature, road buffer, and land cover dynamics exhibited lower impact with PD values of 0.028, 0.013, and 0.004. In most cases, investigating the interaction between driving factors resulted in a mutual or non-linear enhancement. There was an apparent linear and mutual enhancement between elevation and soil salinity, precipitation, and soil types with values of 0.3513, 0.3232, and 0.3204, respectively. In addition, there was a mutual enhancement between soil salinity and soil types with a value of 0.2962. On the other hand, a non-linear enhancement was observed between Elevation and near-surface air temperature (0.3116), Elevation and Land cover dynamics (0.2759), soil types and near-surface air temperature (0.2687), land cover dynamics and soil types (0.234), precipitation and near-surface air temperature (0.2248), precipitation and wind velocity (0.2248), and between land cover dynamics and precipitation (0.223). This research revealed irrefutable evidence that environmental factors might be the primary drivers of ecosystem disturbance, provided the basis for the environmental footprint of desertification mechanism, and might be a cornerstone for future policy on ecological restoration sustainability in the Shiyang River Basin.

Minimal rotating thermodynamic systems are addressed. Particle m placed into the rotating symmetrical double-well potential (bowl), providing binary logical system is considered. The condition providing the transfer of the particle from one frictionless half-well to another, and in this way possibility to record 1 bit of information is derived. The procedure of recording turns out to be irreversible; it is impossible to return the particle to its initial state under rotation about the same axis. The same rotating double-well system exerted to the thermal noise is considered. Minimal rotating thermal engine built of the rotating chamber, movable partition and the particle confined within the chamber is treated. Rotation of the system displaces the partition; thus, enabling erasing of one bit information. Erasing of 1 bit of information is due to the inertia (centrifugal force) acting on the partition. Isothermal expansion of the “minimal gas” expectedly gives rise to the Landauer bound. Compression of the “gas” with the rotation around the same axis is impossible and demands the additional axis of rotation. The interrelation between the possibility of recording/erasing information and the symmetry of the system is considered.

The variability of meteorological parameters such as temperature and precipitation, and climatic conditions such as intense droughts, are known to impact vegetation health over southern Africa. Thus, understanding large-scale ocean–atmospheric phenomena like the El Niño/Southern Oscillation (ENSO) and Indian Ocean Dipole/Dipole Mode Index (DMI) is important as these factors drive the variability of temperature and precipitation. In this study, 16 years (2002–2017) of Moderate Resolution Imaging Spectroradiometer (MODIS) Terra/Aqua 16-day normalized difference vegetation index (NDVI), extracted and processed using JavaScript code editor in the Google Earth Engine (GEE) platform in order to analyze the response pattern of the oldest proclaimed nature reserve in Africa, the Hluhluwe-iMfolozi Park (HiP), during the study period. The MODIS-enhanced vegetation index and burned area index were also analyzed for this period. The area-averaged Modern Retrospective Analysis for Research Application (MERRA) model maximum temperature and precipitation were also extracted using the JavaScript code editor in the GEE platform. This procedure demonstrated a strong reversal of both the NDVI and Enhanced Vegetation Index (EVI), leading to signs of a sudden increase of burned areas (strong BAI) during the strongest El Niño period. Both the Theilsen method and the Mann–Kendall test showed no significant greening or browning trends over the whole time series, although the annual Mann–Kendall test, in 2003 and 2014–2015, indicated significant browning trends due to the most recent strongest El Niño. Moreover, a multi-linear regression model seems to indicate a significant influence of both ENSO activity and precipitation. Our results indicate that the recent 2014–2016 drought altered the vegetation condition in the HiP. We conclude that it is vital to exploit freely available GEE resources to develop drought monitoring vegetation systems, and to integrate climate information for analyzing its influence on protected areas, especially in data-poor counties.

The aim of the study was to compare the standard baseline imaging, with extended radiological staging. To assess our hypothesis, we performed a prospective, single-centre study which included 132 participants recruited between October 2015 and March 2020. Descriptive statistics, the Friedman and chi-squared tests were performed and p &lt; 0.05 was considered significant. Patients were grouped into two cohorts, CT scan cohort (n=87) and PET-CT cohort (n=43). In the first group the originally determined disease stage changed in 36.8 % of cases, in second group in 51.2 %. The consistency between assessment of axillary lymph nodes by imaging (cN) and the postoperative pathology report (pN) was evaluated. In most cases, clinical and pathological evaluation of involved nodes was consistent, for CT scan the result was χ2(1) = 18.98; p &lt; 0.001, for PET-CT the result was χ2(1) = 6.41; p = 0.03. Highly customized radiation therapy defined as dose boost within the involved lymph nodes, not covered by surgeon, was applied in nine patients.

Flapping wing aircraft represents a new frontier in biomimetic aviation. Researchers have developed various flapping wing aircraft intending to harness their high aerodynamic efficiency to enhance flight performance. However, current flapping wing designs still have differences in morphology and structure forms compared to real bird wings. These differences may contribute to the key problem of low lift generation in flapping wing aircraft while hovering. Hence, this paper aims to find the influence of morphology and to overcome the aerodynamic efficiency problems. By using fluid-structure interaction analysis, this study investigates the influence of variation in wing area, and aspect ratio. The results show that increasing the wing area will promote the flexible deformation and passive twist of the flapping wing, resulting in a 173.7% increase in lift coefficient. However, this also leads to increased structural stress that must be taken into consideration. Additionally, as the aspect ratio increases, total deformation and tip deformation also increase; lower aspect ratios result in a more pronounced passive twist on the wing surface (84.4% higher). Moreover, this study has designed different wing structure layouts. With different rib distributions, the passive twist, stress concentration between ribs and at rib joints, maximum stress values at the root of the wing spar, and fluctuations in stress curves are influenced. Based on the result of wing parameters and structure layout, this study proposed a flapping wing structure design with efficient aerodynamic performance. The results highlight the influence of the key parameters of wing design and lay the theoretical groundwork for future research endeavors.

Ab initio density functional theory molecular dynamics extensive calculations were used for the first time to evaluate stability conditions for relevant phases of InN. In particular, thermal decomposition of InN with formation of N2 molecules and pressure induced wurtzite – rocksalt solid-solid phase transition were established. The results consistent with available experimental data allowed a critical evaluation of potential and limitations of the proposed simulation method. The ab initio molecular dynamics as an efficient tool for simulations of phase transformations of InN including solid-solid structural transition and thermal decomposition with formation of N2 molecules has been demonstrated. It is of high interest because InN being important component of epitaxial quantum structures has still not been obtained as a bulk single crystal making difficult a determination of its basic physical properties and designing new applications.

Currently, foam mixers are predominantly categorized into two types: low-pressure and high-pressure. Low-pressure mixers primarily use agitator rotation to mix materials. However, they face challenges such as difficulty in cleaning and complex structures. High-pressure mixers, widely adopted for their structural simplicity and lack of need for cleaning devices, effectively mitigate issues associated with low-pressure mixers. Nonetheless, they encounter problems with uneven mixing when processing high-viscosity materials. Historically, the primary solution to this issue was increasing the working pressure. However, the capacity to increase pressure is finite, and higher pressure demands higher quality materials for the mixers. To address the issues high-pressure mixers face when dealing with high-viscosity materials, this study focuses on the polyimide high-pressure mixer. After reviewing previous studies, four design variables were selected: the mixer's impingement angle, inlet diameter, outlet diameter, and impingement pressure. Using a Full Factorial Design of Experiments (DOE), the significance of the impact exerted by these four variables on Mixing Unevenness was analyzed, determining the extent of their influence. Optimal Latin Hypercube Sampling generated several random sample points, followed by the establishment of both a Back Propagation (BP) Neural Network approximation model and a Kriging approximation model. A Genetic Algorithm was then applied to optimize these two approximation models, resulting in the optimal combination of design variables. The research findings indicate that the BP Neural Network exhibits higher predictive accuracy compared to the Kriging prediction model. The optimal combination of parameters, optimized through the Genetic Algorithm (GA), reduced the Mixing Unevenness by 69.1%, effectively decreasing the Mixing Unevenness of the mixer head.

Sodium-phosphate-based glass-ceramics (GCs) are promising materials for a wide range of applications, including solid-state sodium-ion batteries, microelectronic packaging substrates, and humidity sensors. This study investigates the impact of 24-hour heat-treatments at varying temperatures on Na-Ge-P glass, with a focus on (micro)structural, electrical, and dielectric properties of prepared GCs. Various techniques such as powder X-ray diffraction (PXRD), infrared spectroscopy-attenuated total reflection (IR-ATR), and scanning electron microscopy-energy dispersive spectroscopy (SEM-EDS) are employed. With the elevation of heat-treatment temperature, crystallinity progressively rises; at 450 °C, the microstructure retains amorphous traits featuring nanometric grains, whereas at 550 °C, heat-treatment results in fully crystallized structures characterized by square-shaped micron-scale grains of NaPO3. The insight into the evaluation of electrical and dielectric properties is provided by Solid-State Impedance Spectroscopy (SS-IS), revealing a strong correlation with the conditions of controlled crystallization and observed (micro)structure. The glass-ceramic heat-treated at 450 °C achieves the highest DC conductivity of 2.30×10–8 Ω–1 cm–1 at 393 K. As the heat-treatment temperature rises, the crystallization of the NaPO3 phase depletes the glass matrix of mobile Na+ ions, resulting in a reduction in DC conductivity. Dielectric parameters also decrease with rising heat-treatment temperature, with the glass-ceramic heat-treated at 550 °C displaying the lowest permittivity of 19.37 and the dielectric loss of 0.008. This research uncovers the intricate relationship between heat-treatment conditions and material properties, emphasizing that controlled crystallization allows for precise modifications to microstructure and phase composition within remaining glassy phase, ultimately facilitating fine-tuning of material properties.

Digital Image Correlation (DIC) is an optical technique used to measure surface displacements and strains in materials and structures. This technique has demonstrated significant utility in structural examination and monitoring. This manuscript offers a comprehensive review of contemporary research and applications that have leveraged the DIC technique in laboratory-based structural tests. The reviewed works encompass a broad spectrum of structural components, such as concrete beams, columns, pillars, masonry walls, infills, composite materials, structural joints, steel beams, slabs, and other structural elements. These investigations have underscored the efficacy of DIC as a metrological instrument for precise quantification of surface deformation and strain in these structural components. Moreover, the constraints of the DIC technique have been highlighted, especially in scenarios involving extensive or complex test configurations. Notwithstanding these constraints, the DIC methodology has validated its effectiveness as a strain measurement instrument, offering numerous benefits such as non-invasive operation, full-field measurement capability, high precision, real-time surveillance, and compatibility with integration into other measurement instruments and methodologies.

Breast Cancer metastasis remains a formidable challenge in cancer research, contributing significantly to patient mortality despite advances in medical research. Lung metastasis, associated with breast cancer, poses an ongoing clinical dilemma with limited curative treatment options. This study delves into the intricate mechanisms underlying Breast Cancer-Lung Metastasis (BC-LM) primarily focusing on the function of SH3PXD2B in maturation of invadopodia, inducing epithelial-to-mesenchymal transition, disruption of proteostasis network, and ultimately leading to metastasis of Breast Cancer (BC) cells. With an extensive analysis of differential gene expression using RNASeq data, comparing normal breast cancer cells to metastatic sub-populations in lung. Employing the New Tuxedo pipeline our investigation notably observes SH3PXD2B as a key regulator in lung metastasis samples. This trend is further substantiated by data from the Cancer Cell Line Encyclopedia (CCLE), and Human Protein Atlas (HPA) which highlights elevated SH3PXD2B expression in MDA-MB-468 cells, underscoring its significance in metastatic adenocarcinoma. Additionally, we checked the overall survival (OS) of metastatic breast cancer (MBC) patients pinpointing SH3PXD2B and its associated partners like SH3PXD2A, MMPs, CTTN, ADAMs, and EMT markers with substantial expression in both BC and lung cancer, prognosticating poorer patient survival. Further, our transcription factor – target gene (TFTG) network essentially elucidated the role of SH3PXD2B as a key node in the network unveiling its roles in regulating cell migration, communication, and developmental processes. Proteomics and Western blotting assays consistently confirm heightened SH3PXD2B expression in BC cell lines, reaffirming our findings. By employing computational structure biology along with cancer systems biology approach, we generated a high-confidence structural model of SH3PXD2B, indicating its SH3_2 and SH3_3 domains crucial for interactions with the drug molecules. Molecular docking simulations identify Eribulin as a promising therapeutic agent capable of targeting these domains. Thus, our multidisciplinary approach seamlessly amalgamates systems medicine principles, aiming to repurpose existing drugs that target SH3PXD2B based on molecular signatures. Targeted therapies have emerged as a promising avenue for addressing MBC and this mechanistic model introduces novel therapeutic avenues for the treatment of BC-LM patients.

The purpose of this research work was to synthesis bio-derived nanocomposite films by incorporating Na0.5Bi0.5TiO3 (NBT) nanoparticles into Chitosan matrix. The NBT nanoparticles were synthesized using a traditional solid-state technique. Then, through a solution casting approach, flexible composite films were fabricated using Chitosan polymer. The morphology and structural assessments were carried out utilizing scanning electron microscopy (SEM), X-ray diffraction and fourier transform infrared technique. The SEM micrographs showed that NBT nanoparticles were randomly distributed and interconnected with other particles, forming interconnected grains with substantial interspaces within the matrix. The spectral response between 300 and 800 nm of the composites is mainly governed by light scattering of NBT particles with diameter sizes in the 100 - 400 nm range and the bandgap of the NBT phase. The dielectric studies demonstrated that the composite films exhibited higher dielectric values compared to the pure Chitosan film. Besides, the increase of NBT amount was found to increase the dielectric values. Additionally, local piezoelectric measurements reveal the expected piezoelectric and ferroelectric behavior for the NBT particles dispersed into the polymer matrix, as locally probed by Piezoresponse Force Microscopy. The studied system bears interest for advanced biocompatible opto- and piezo-electric materials.

The review analyzes the studies published mainly in the last 10-15 years, on the synthesis, structure, and sensor properties of semiconductor nanocomposites. Particular attention is paid to the interaction between nanoparticles of the sensitive layer and its effect on the structure, sensitivity, and selectivity of semiconductor sensor systems. Various mechanisms are considered of interaction between nanoparticles in metal oxide composites including incorporation of metal ions of one component into the structure of another, heterocontacts between different nanoparticles, and core-shell systems, as well as their influence on the characteristics of gas sensors. The experimental data and studies on the modeling of charge distribution in semiconductor nanoparticles, which determine the conductivity and sensor effect in one- and two-component systems, are also discussed. It is shown that the model which considers the interactions of nanoparticles best describes the experimental results. Some mechanisms of detection selectivity are considered in the conclusion.

The Golgi apparatus (GA) dysfunctions in Parkinson’s Disease (PD), neurodevelopmental disorders (NDDs), cancer, and organelle structural biology (OSB) can provide insights into therapeutic targets, gene therapy, and drug design. Primary defects and fragmentation within the GA are implicated in a wide range of neurodegenerative diseases. GA defects typically result in mislocation of proteins, accumulation of undegraded proteins, and impaired glycosylation of proteins. Inhibition of vesicular trafficking by α-synuclein (aSyn) may affect the dopamine-producing neurons and neuromodulators. GA regulates apoptosis during pathological mechanisms of neurological diseases and could provide new avenues in treatments through translation research. PD patients bearing the hereditary E46K disease mutation manifest the clinical picture of parkinsonism. How do we provide high resolution nanoimages of the GA during disease to capture dysfunction? Could we visualize the aSyn traffic jam between vesicles in the organelles ER and GA? OSB is emerging as a field as more technology advances and is more accessible. Structural studies of the GA will advance the field of neurological disease forward with an in depth understanding of dysfunction, fragmentation, and defects. Discoveries of the GA in PD, NDDs, and cancer would break new ground and provide translational medicine data of these diseases. Future research could be visualizing high angle annular dark field-STEM (HAADF-STEM) tomograms, cryogenic electron tomography (cryo-ET), multiplex correlative light and electron microscopy (cryo-CLEM), nanobody-assisted tissue immunostaining for volumetric EM (NATIVE) and using soft X-ray tomography (SXT) and computational reconstruction of the GA.

Marnaviridae viruses are abundant algal viruses that regulate the dynamics of algal blooms in aquatic environments. They employ a narrow host range because they merely lyse their own algal host species. This host-specific lysis is thought to correspond to the unique transmission mechanism of the Marnaviridae viruses. Here, we present the atomic structures of the full and empty capsids of Chaetoceros socialis forma radians RNA virus 1 built in 3.0 Å and 3.1 Å cryo-electron microscopy maps. The empty capsid structure and the structural variability provide insights on its assembly and uncoating intermediates. In conjunction with the previously reported atomic model of the Chaetoceros tenuissimus RNA virus type II capsid, we have identified the common and diverse structural features of the VP1 surface between the Marnaviridae viruses. We have also tested the potential usage of AlphaFold2 for structural prediction of the VP1s and a subsequent structural phylogeny for classifying Marnaviridae viruses by their hosts. These findings will be crucial for inferring the host-specific transmission mechanism in Marnaviridae viruses, which is decisive for monitoring and possibly regulating the occurrence and disappearance of algae blooms.

Mixed cadmium tellurides – cadmium sulfides thin layers were formed on the polyamide PA 6. Monotelluropentathionic acid (H2TeS4O6) was used as precursor of tellurium and sulfur. We applied a low-temperature, nontoxic and cost-effective SILAR method. Cadmium telluride (CdTe) and sulfide (CdS) layers were formed through consecutive reactions of sorbed/diffused chalcogens species from telluropentathionate anion (TeS4O62–) with functional groups of polyamide and alkaline cadmium sulfate. The pseudo-second-order rate and Elovich kinetic models best fitted to quantify an uptake of chalcogens and cadmium on PA6. The effects of chalcogens and Cd on the structure and optical properties of PA6 were characterized using UV/Vis and IR spectra. The clear changes of these properties found in dependence on the concentration and exposure time in precursor's solutions. Fourier transform infrared spectroscopy and an ultraviolet-visible spectroscopy were applied in order to evaluate the effect of the chalcogens having particles on the changes in structure of polyamide 6 films depending on the exposure time in the solution of the chalcogens precursor and its concentration. The optical band gap energy of formed layers was found to be in the order of 1.52–2.36 eV. Studies of scanning electron microscopy and atomic force microscopy reveal that the diameter of the average grain is about 30 nm. The grains are conical in shape and unevenly distributed all over the surface of the substrate.

Cells receive external stimuli to incur structural and functional damages. On scanning acoustic microscopy (SAM), speed-of-sound (SOS), attenuation-of-sound (AOS), and thickness values are plotted on the screen to create cellular images, which are related to stiffness, viscosity, and cell size, respectively. The obtained digital data compared using statistical analysis. We aimed to investigate the effects of anticancer drugs, acidic fluids, and heat effects on the cells by using SAM. Anticancer drug cisplatin induced cancer cell apoptosis/necrosis and regeneration in culture, causing elevated SOS, reduced AOS, and thickness. During a more prolonged incubation, the SAM values fluctuated differently between the cisplatin-treated and untreated cells. The tannic and acetic acid and microwave stimuli induced SOS and AOS elevations. These stimuli altered the cell size, number, differentiation, viscosity, and stiffness, which corresponded well to the fluctuation of the SOS and AOS values after incubation. Different anticancer drugs interacted with cancer cells to induce the characteristic alterations of the SAM values. These structural and mechanical alterations induced in cells was difficult to observe on light microscopy. Cellular damages were statistically compared between different stimuli and time-lapse cellular changes were observed using a SAM analysis. SAM is a useful modality to evaluate cellular damage.

In this work, the structural, magnetic, and mechanical properties of Nd16Fe76-xCoxB8 alloys varying the Co content at x = 0, 10, 20 and 25, were experimentally investigated by X-Ray Diffraction (XRD), Mössbauer Spectrometry (MS), Vibrating Sample Magnetometry (VSM) at room temperature (RT), and microhardness test were performed too. The system presents the hard Nd2Fe14B and the Nd1.1Fe4B4 phases for samples with x = 0 and 10. When concentration increases to x= 20 and 25, the CoO phase appears. All MS show the ferromagnetic behavior (eight sextets: sites 16k1, 16k2, 8j1, 8j2, 4c, 4e, sb) associated to the hard and soft magnetic phases, and one paramagnetic component (doublet: site d) associated to the minority Nd1.1Fe4B4 phase, which was not identified by XRD. All samples are magnetically hard present a hard magnetic behavior. The increase of Co content in these samples did not improve the hard magnetic behavior, but increased the critical temperature of the system and decrease the crystallite size of the hard phase. The hysteresis loop showed that predominates the Nd2Fe14B hard magnetic phase. There is a general tendency to increase microhardness with cobalt content, attributable to cobalt doping reduces the lattice parameters and porosities in the sample improving it hardness.

Magnetic iron oxide particles are used for in vitro diagnostics for nearly 40 years. Due to their unique physical, chemical, thermal and mechanical properties, as well as biocompatibility and low toxicity in the human body, iron oxide nanoparticles have been used in many biomedical applications, such as contrast agents for magnetic resonance imaging, carriers for controlled drug delivery and immunoassays, but also in magnetic hyperthermia. Our aim is to investigate the effect of pressure and temperature on the structural, thermal and magnetic properties of iron oxide nanomaterials prepared by hydrothermal synthesis. Iron oxide nanoparticles were synthesized at temperatures of 100-200°C and pressures of 20-1000 bar. It has been found that pressure influences the type of iron oxide crystalline phase. Thus, for lower pressure values (< 100 bar), iron oxide is predominantly formed as hematite, while at pressures > 100 bar, the major crystalline phase is goethite. The complex thermal analysis revealed the polymorphic changes of iron oxides at different temperatures. The existence of specific magnetite and hematite phases in all thermally treated samples are evidenced through the specific Verwey and Morin transitions highlighted by ZFC-FC (Zero Field Cooled-Field Cooled) measurements, whereas their relative content is precisely provided by Mössbauer spectroscopy.

The Sol Hamed (SH) area is a part of the Arabian-Nubian Shield (ANS) ophiolites occurred within Onib-Sol Hamed suture zone in the southern Eastern Desert of Egypt. The ophiolitic assemblages in this area are represented by serpentinite, metagabbro and arc assemblages represented by metavolcanics. They later intruded by gabbroes and granites. Geochemically, the compatible trace elements (Cr=2426–2709 ppm, Ni=1657–2377 ppm and Co=117–167 ppm) enrichment in SH serpentinites indicate derivation from a depleted mantle peridotite source. They show affinity to the typical metamorphic peridotites. The normative compositions reflect harzburgitic mantle source. Their Al2O3 contents (0.05–1.02 wt. %) are akin to oceanic and active margin peridotites and Pan-African serpentinites. The Cr and TiO2 contents indicate supra-subduction zone (SSZ) environment. Their Al2O3/SiO2 and MgO/SiO2 ratios support the SSZ affinity and are similar to ANS peridotites with fore-arc setting. Moreover, their Al2O3 and CaO depletion is typical of fore-arc peridotites. Structurally, the area represents four deformational events can be well-known in the Neoproterozoic rocks (D1, D2, D3 and D4); D1: E–W thrust faults and related E–W (F1) folds; D2: NW–SE thrust faults and related NW–SE (F2) folds were formed; D3: conjugate NNW-trending sinistral and NNE-trending dextral transpression, as well as N–trending tight folds (F3) and D4: is E–W dextral strike-slip and dip-slip normal faults striking NNW–SSE to N–S and E–W may be related to Red Sea rifting. There are major three fault sets affected the area. The first set trend mainly NE-SW and is manifested in the volcanic-sedimentary assemblage and Gabal SH and have important role in mineralization. The second set trend E-W affecting all the basement rocks and disturbs the first fault set. The third set trend N-S affected all the rock units. Magnesite mineralization in SH serpentinites is cryptocrystalline formed due to hydrothermal alteration of the serpentinite host rocks. It is occur as snow-white veins and stock-works. These characteristics are typical of Kraubath type magnesite deposits. Gold mineralization is confined to malachite-bearing quartz veins, smoky quartz veins and alteration zones. Malachite-bearing quartz veins trending NW-SE cut through gabbroic rocks and exhibit mylonitic structure. They are fractured containing malachite and disseminated sulfide minerals. Smoky quartz veins trending NE-SW with SE steeply dipping intrude the meta-andesite. They are intensively sheared containing iron oxides in the fissures. The gold grades increase with arsenopyrite occurrences. On the other hand, the barren quartz veins are nearly vertical with E-W directions. Alteration zones with NW-SE trend and nearly vertical dip intrude metagabbros and metavolcanics. Hematite, limonite, goethite and fresh pyrite characterize these zones. They occur mainly neighboring the auriferous quartz veins.

Afterthe series of earthquakes in August 1953, most of Kefalonia’s building stock totally collapsed. The buildings that emerged as a result of a collective effort are commonly referred to as «arogi» buildings, with the term arogimeaning help or assistance. In this way, merely referring to these structures is a direct mention to the circumstances under which they were constructed. The reconstruction of the building stock of the island was based in a series of building types proposed from the authorities, and proceeded replacing the richness of the architectural forms that stood before the earthquake, with austere but necessary settlements. Nevertheless, it is these buildings that constitute today’s image of the island. This study wishes to introduce us to “arogi” buildings structural system, as it was applied in Kefalonia after 1953 earthquake, with reference to recent bibliography and the recent experience of 2014 earthquake. The purpose of setting the grounds for such a research would be to highlight the effectiveness of this structural system. Moreover, to emphasize the fact that “arogi” buildings and their construction procedure incorporate Kefalonia’s recent history and have eventually produced today’s available “traditional” architecture of the island.

Structural information of biological macromolecules is crucial and necessary to deliver predictions about the effects of mutations—whether polymorphic or deleterious (i.e., disease causing), wherein, thermodynamic parameters, namely, folding and binding free energies potentially serve as effective biomarkers. It may be emphasized that the effect of a mutation depends on various factors, including the type of protein (globular, membrane or intrinsically disordered protein) and the structural context to which it occurs. Such information may positively aid drug-design. Furthermore, due to the intrinsic plasticity of proteins, even mutations involving radical change of the structural and physico-chemical properties of the amino acids (native vs. mutant) can still have minimal effects of protein thermodynamics. However, if a mutation causes significant perturbation of either folding or binding free energies, it is quite likely to be deleterious. Mitigating such effects is a promising alternative to the traditional approaches of designing inhibitors. This can be done by structure-based in silico screening of small molecules for which binding to the dysfunctional protein restores its wild type thermodynamics. In this review we emphasize on the effects of mutations on two important biophysical characteristics, stability and binding affinity, and how structures can be used for structure-based drug design to mitigate the effects of disease-causing variants on the above biophysical characteristics.

Preliminaries Convolutional Neural Network (CNN) applications have recently emerged in Structural Health Monitoring (SHM) systems focusing mostly on vibration analysis. However, the SHM literature shows clearly that there is a lack of application regarding the combination of PZT (Lead Zirconate Titanate) based method and CNN. Likewise, applications using CNN along with the Electromechanical Impedance (EMI) technique applied to SHM systems are rare. To encourage this combination, an innovative SHM solution through the combination of the EMI-PZT and CNN is presented here. To accomplish this, the EMI signature is split into several parts followed by computing the Euclidean distances among them to form a RGB (red, green and blue) frame. As a result, we introduce a dataset formed from the EMI-PZT signals of 720 frames, encompassing a total of 4 types of structural conditions for each PZT. In a case study, the CNN-based method was experimentally evaluated using three PZTs glued onto an aluminum plate. The results reveal an effective pattern classification; yielding a 100% hit rate which outperforms other SHM approaches. Furthermore, the method needs only a small dataset for training the CNN, providing several advantages for industrial applications.

We investigated the structural evolution of the two-phase blends of polycarbonate (PC) and poly(methyl methacrylate) (PMMA) at various blend compositions by simultaneous biaxial stretching using optical microscopy and SEM observation. The spherical PMMA domains and PC matrix in 30/70 PC/PMMA were enlarged uniformly at all in-plane direction, while the anisotropic-shaped co-continuous structure in 50/50 PC/PMMA was deformed to crosshatched one by in-plane bimodal orientation. In 70/30 PC/PMMA, the phase inversion was found to occur by simultaneous biaxial stretching; i.e., the spherical PMMA domains were changed to crosshatched matrix by in-plane bimodal orientation due to coalescence of the PMMA domains during the stretching. Owing to the phase inversion, the surface hardness estimated by pencil hardness test became harder from 2B to 2H with increasing the strain from 1.0 to 2.0.

The article reveals distinctive features of the interaction between architectural and structural solutions for the design of tall buildings as well as spotlights the most distinctive cases of expression. In the contemporary world, interaction is turning into the antithesis of the formerly dominant utilitarian attitude and standardization of tall buildings architectural solutions. Meanwhile, the search for rational structural solutions leads to new possibilities of architectural expression. This necessitates the transformation of a structural solution and its adaptation to the need of a modern architect to be exceptional and noticed. Interaction covers the current as well as retrospective and perspective periods. SWOT analysis was used by the authors of the article to assess the interaction between architectural and structural solutions in tall buildings design, select the most important criteria that could be used searching for rational architectural and structural solutions in future by applying multi-criteria decision making methods.

In previous work (Z. Angew. Math. Phys. 68(2), 2017), Apalara considered a one dimensional thermoelastic laminated beam under Cattaneo’s law of heat conduction and proved the exponential and polynomial decay results depend on the stability number χ_T . In this paper, we continue to study the same system and show that the solution of the concerned system lacks of exponential decay result in the case χ_T ≠ 0 which solves the open problem proposed by Apalara (Z. Angew. Math. Phys. 68(2), 2017).

The concept of smart morphing blades, which can control themselves to reduce or eliminate the need for active control systems, is a highly attractive solution in blade technology. In this paper an innovative passive control system based on Shape Memory Alloys (SMAs) is proposed. On the basis of previous thermal and shape characterization of a single morphing blade for a heavy-duty automotive cooling axial fan, this study deals with the numerical analysis of the aerodynamic loads acting on the fan. By coupling CFD and FEM approaches it is possible to analyze the actual blade shape resulting from both the aerodynamic and centrifugal loads. The numerical results indicate that the polymeric blade structure ensures proper resistance and enables shape variation due to the action of the SMA strips.

This study aims to develop an auditory experience evaluation questionnaire to improve the presence of metaverse environments, and to derive evaluation components considering auditory presence and auditory user experience (AUX) through a survey. After conducting a survey with a total of 232 participants, five evaluation components were extracted from auditory presence and AUX evaluation factors through principal component analysis (PCA) and reliability analysis (RA): 'realistic auditory background', 'acoustic aesthetics', 'consideration of acoustic control and accessibility', 'auditory utility and minimalist design', and 'auditory consistency'. In particular, although AUX evaluation factors such as 'ease of access to sound control' have limitations in improving the sense of presence, negative factors of presence such as 'distraction due to sound' can be improved by utilizing AUX evaluation factors, so it is judged that the sense of presence in the metaverse environments can be improved by enhancing the auditory sense of presence and AUX evaluation factors according to the composition of the five evaluation components derived in this study. This study can be used as a basis for developing an auditory experience evaluation questionnaire for the metaverse platform, creating sound design guidelines, and identifying sound development priorities.

Irrigation water management components evaluation is mandatory for sustainable irrigated agriculture production in the era of water scarcity. In this research spatio-temporal distribution of irrigation water components were evaluated at canal command area in Indus Basin Irrigation System (IBIS) using remote sensing based geo-informatics approach. Satellite derived MODIS product-based Surface Energy Balance Algorithm for Land (SEBAL) was used for the estimation of the Actual Evapotranspiration (ETa). Satellite derived SEBAL based ETa was calibrated and validated using the ground data-based advection aridity method (AA). Statistical analysis of the SEBAL based ETa and AA shows the mean 87.1 mm and 47.9 mm and, 100 mm and 77 mm, Standard deviation of 27.7 mm and 15.9 mm and, 34.9 mm and 16.1 mm, R of 0.93 and 0.94, NSE of 0.72 and 0.85, PBIASE -12.9 and -4.4, RMSE 34.9 and 5.76 for the Kharif and Rabi season, respectively. Rainfall data was acquired from the Tropical Rainfall Measuring Mission (TRMM). TRMM based rainfall was calibrated with the point observatory data of the Pakistan Metrological Department Stations. Canal water data was collected from the Punjab Irrigation department for the assessment of canal water availability. Water The water balance approach was applied in the unsaturated zone for the quantification of the gross and net Groundwater irrigation. Mmonthly variation of ETa with the minimum average value of 63.3 mm in January and the maximum average value of 110.6 mm in August was found. While, the average annual of four cropping years (2011-12 to 2014-15) ETa was found 899 mm. Average of the sum of Net Canal Water Use (NCWU) and Rainfall during the study period of four years was only 548 mm (36% of ETa) and this resulted the 739.6 mm of groundwater extraction. While the annual based variation in groundwater extraction of 632 mm and 780 mm was found. Seasonal analysis revealed 39% and 61% of groundwater extraction proportion during Rabi and Kharif season, respectively. The variation in four cropping year’s monthly groundwater extraction was found 28.7 mm to 120.3 mm. This variation was high in the 2011-12 to 2012-13 cropping year (0 mm to 148.7 mm), dependent upon the occurrence of rainfall and crop phenology. Net groundwater irrigation, estimated after incorporating the efficiencies was 503 mm year-1 on average for the four cropping years.

In this study, an improved UPLC-MS method for simultaneously quantifying twelve major components belonging to two chemical types was developed and validated, and was applied to quantitatively compare the quality of Astragali Radix sulfur-fumigated with different durations and the fresh reference sample. The results showed that the contents of triterpenes Astragaloside III and Astragaloside IV decreased moderately, while the flavonoids calycosin, formononetin, and 7,2'-dihydroxy-3',4'-dimethoxyisoflavane decreased significantly, and its corresponding flavonoid glycosides increased accordingly, which indicatied that the happening of chemical transformation of flavonoids and glycosides in the sulfur-fumigated process. These transformations were further confirmed by the the synthesis of flavonoid glycosides under the simulated sulphur-fumigation circumstances. Furthermore, the sulfur-fumigated duration had a proportional relationship with the contents of compounds 7, 11, and 12. All these results suggested that the established method was precise, accurate and sensitive enough for the global quality evaluation of sulfur-fumigated Astragali Radix, and sulfur-fumigation can not only change the proportions of bioactive components, but also cause the chemical transformation in the Astragali Radix.

The undoped and tungsten (W)-doped vanadium dioxide (VO₂) thin films were prepared by electron beam evaporation associated with ion-beam assisted deposition (IAD). The influence of different W-doped contents (3%-5%) on the optical, electrical, structural, and thermos-mechanical properties of VO₂ thin films was investigated experimentally. Spectral transmittance results showed that with the increase of W-doped contents, the transmittance in the visible light range (400-750 nm) decreases from 60.2% to 53.9%, and the transmittance in the infrared wavelength range (2.5 μm to 5.5 μm) drops from 55.8% to 15.4%. As the W-doped content increases, the residual stress in the VO₂ thin film decreases from -0.276 GPa to -0.238 GPa, but the surface roughness increases. For temperature-dependent spectroscopic measurements, heating the VO2 thin films from 30°C to 100°C showed the most significant change in transmittance for the 5% W-doped VO₂ thin film. When the heating temperature exceeds 55°C, the optical transmittance drops significantly, and the visible light transmittance drops by about 11%. Finally, X-ray Diffraction (XRD) and scanning electron microscope (SEM) were used to evaluate the microstructure characteristics of VO₂ thin films.

Drug-target affinity (DTA) prediction is crucial for understanding molecular interactions and aiding drug discovery and development. While various computational methods have been proposed for DTA prediction, their predictive accuracy remains limited, failing to delve into the structural nuances of interactions. With increasingly accurate and accessible structure prediction of targets, we developed a novel deep learning model, named S2DTA, to accurately predict DTA by fusing sequence and structural knowledge of drugs, targets, and pockets using heterogeneous models based on graph and semantic networks. Experimental findings underscored that complex feature representations imparted negligible enhancements to the model’s performance. However, the integration of heterogeneous models demonstrably bolstered predictive accuracy. In comparison to three state-of-the-art methodologies, the supremacy of S2DTA became strikingly apparent. It showcased a noteworthy 25.2% reduction in Mean Absolute Error (MAE) and an impressive 20.1% decrease in Root Mean Square Error (RMSE). Furthermore, S2DTA exhibited substantial advancements in other pivotal metrics, including Pearson Correlation Coefficient (PCC), Spearman, Concordance Index (CI), and R2. These metrics experienced remarkable increments of at least 19.6%, 17.5%, 8.1%, and a remarkable 49.4%, respectively. Finally, we conducted interpretability analysis on the effectiveness of S2DTA by bidirectional self-attention mechanism, fully proving that S2DTA is a valuable and accurate tool for predicting DTA. For further exploration, the source data and code repository can be accessed at https://github.com/dldxzx/S2DTA.

In this study, we considered the structural stability, electronic properties, and phonon dispersion of the cubic (c-ZrO₂), tetragonal (t-ZrO₂), and monoclinic (m-ZrO₂) phases of ZrO₂. We found that the monoclinic phase of zirconium dioxide is the most stable among the three phases in terms of total energy, lowest enthalpy, highest entropy, and other thermodynamic properties. The smallest negative modes were found for m-ZrO₂. Our analysis of the electronic properties showed that during the m–t phase transformation of ZrO₂, the Fermi level first shifts by 0.125 eV toward higher energies and then decreases by 0.08 eV in the t–c cross-section. The band gaps for c-ZrO₂, t-ZrO₂, and m-ZrO₂ are 5.140 eV, 5.898 eV, and 5.288 eV, respectively. Calculations based on the analysis of the influence of doping 3.23, 6.67, 10.35, and 16.15 mol. %Y₂O₃ onto the m-ZrO₂ structure showed that the enthalpy of m-YSZ decreases linearly, which accompanies further stabilization of monoclinic ZrO₂ and an increase in its defectiveness. A doping-induced and concentration-dependent phase transition in ZrO₂ under the influence of Y₂O₃ was discovered, due to which the position of the Fermi level changes and the energy gap decreases. It has been established that, not only for pure systems but including those doped with Y₂O₃, the main contribution to the formation of the conduction band is made by the p-states of electrons. The t-ZrO₂ (101) and t-YSZ (101) surface models were selected as optimal surfaces for water adsorption based on a comparison of their surface energies. An analysis of the mechanism of water adsorption on the surface of t-ZrO₂ (101) and t-YSZ (101) showed that H₂O on unstabilized t-ZrO₂ (101) is adsorbed dissociatively with an energy of -1.22 eV, as well as by the method of molecular chemisorption with an energy of - 0.69 eV and the formation of a hydrogen bond with a bond length of 1.01 Å. In the case of t-YSZ (101), water is molecularly adsorbed onto the surface with an energy of -1.84 eV. Dissociative adsorption of water occurs at an energy of -1.23 eV, near the yttrium atom. The results show that ab initio approaches are able to describe the mechanism of doping-induced phase transitions in (ZrO₂+Y₂O₃)-like systems, based on which it can be assumed that DFT calculations can also flawlessly evaluate other physical and chemical properties of YSZ, which have not yet been studied quantum chemical research. The obtained results complement the database of research works carried out in the field of the application of biocompatible zirconium dioxide crystals and ceramics in green energy generation and can be used in designing humidity-to-electricity converters and creating solid oxide fuel cells based on ZrO₂.

In this study, we considered the structural stability, electronic properties, and phonon dispersion of the cubic (c-ZrO₂), tetragonal (t-ZrO₂), and monoclinic (m-ZrO₂) phases of ZrO₂. We found that the monoclinic phase of zirconium dioxide is the most stable among the three phases in terms of total energy, lowest enthalpy, highest entropy, and other thermodynamic properties. The smallest negative modes were found for m-ZrO₂. Our analysis of the electronic properties showed that during the m–t phase transformation of ZrO₂, the Fermi level first shifts by 0.125 eV toward higher energies and then decreases by 0.08 eV in the t–c cross-section. The band gaps for c-ZrO₂, t-ZrO₂, and m-ZrO₂ are 5.140 eV, 5.898 eV, and 5.288 eV, respectively. Calculations based on the analysis of the influence of doping 3.23, 6.67, 10.35, and 16.15 mol. %Y₂O₃ onto the m-ZrO₂ structure showed that the enthalpy of m-YSZ decreases linearly, which accompanies further stabilization of monoclinic ZrO₂ and an increase in its defectiveness. In this case, the position of the Fermi level changes abruptly, and the energy gap decreases. It has been established that, not only for pure systems but including those doped with Y₂O₃, the main contribution to the formation of the conduction band is made by the p-states of electrons. The t-ZrO₂ (101) and t-YSZ (101) surface models were selected as optimal surfaces for water adsorption based on a comparison of their surface energies. An analysis of the mechanism of water adsorption on the surface of t-ZrO₂ (101) and t-YSZ (101) showed that H₂O on unstabilized t-ZrO₂ (101) is adsorbed dissociatively with an energy of -1.22 eV, as well as by the method of molecular chemisorption with an energy of - 0.69 eV and the formation of a hydrogen bond with a bond length of 1.01 Å. In the case of t-YSZ (101), water is molecularly adsorbed onto the surface with an energy of -1.84 eV. Dissociative adsorption of water occurs at an energy of -1.23 eV, near the yttrium atom. The obtained results complement the database of research works carried out in the field of the application of biocompatible zirconium dioxide crystals and ceramics in green energy generation and can be used in designing humidity-to-electricity converters and creating solid oxide fuel cells based on ZrO₂.

Nanoporous films of Eu-doped organosilicate glass (OSG) have been synthesized using sol-gel technology and spin-coating, employing evaporation-induced self-assembly (EISA), on silicon wafers. The Eu doping is achieved by dissolution of Eu(NO3)3·6H2O in the precursor solution. The deposited films are characterized by using Fourier transform infrared (FTIR) spectroscopy, ellipsometric porosimetry (EP), X-ray photoelectron spectroscopy (XPS) and photoluminescence spectroscopy. It is observed that Eu doping makes the films more hydrophilic and reduces the pore size and open porosity. The reduction Eu3+ → Eu2+ occurs in the pores of OSG films, which is confirmed by depth profiling XPS. However, Eu3+ still presents on the film’s top surface. Presence of Eu3+ and Eu2+ gives characteristic luminescence emission in the range of 600‒630 nm (Eu3+) and 290‒400 nm (Eu2+). The Eu2+/Eu3+ concentrations ratio depends on CH3 groups concentration in the films. Moreover, concentration of Eu2+ ions in the pores can be reduced by exposure in inductively coupled (ICP) oxygen plasma. The observed shift of the luminescence spectra towards the UV region, in comparison to previously reported Eu-doped organosilicate films, can be attributed to the energy transfer occurring between the host material and Eu2+ ions.

Glass samples (59.5 – x) B2O3 – 20Na2O – 20CaO – xV2O5 – Er2O3 – 0.5AgCl (x = 0 – 2.5 mol%) were prepared using melt – quenching method to investigate the structural and optical properties of the glass. The structural of the glass were characterized by using XRD, TEM and FTIR, meanwhile the optical properties were characterized by UV – VIS absorption. The XRD patterns confirmed the amorphous nature of the prepared glass samples. FTIR confirmed the presence of VO4, VO5, BO3, and BO4 vibration, and this result showed NBO increased with increasing vanadium concentration. The UV – Vis – NIR spectra exhibits six absorption band centered at 490, 520, 540, 660, 800, and 980 nm. The optical band gap (Eopt), Urbach energy and refractive index shown decrease, increase and increase, respectively. The Judd – Ofelt intensity parameter reveal the trends was Ω2 &gt; Ω4 &gt; Ω6. There are three emission bands at 516 nm, 580 nm, and 673 nm which are represented by 2H11/2 – 4I15/2, 4S3/2 – 4I15/2, and 4F15/2 – 4I15/2, respectively under 800 nm excitation was obtained.

The loss of integrity and adverse effect on mechanical properties can be concluded as attributing miro/macro-mechanics damage in structures, especially in composite structures. Damage as a progressive degradation of material continuity in engineering predictions for any aspects of initiation and propagation requires to be identified by a trustworthy mechanism to guarantee the safety of structures. Besides the materials design, structural integrity and health are usually prone to be monitored clearly. One of the most powerful methods for the detection of damage is machine learning (ML). This paper presents the state of the art of ML methods and their applications in structural damage and prediction. Popular ML methods are identified and the performance and future trends are discussed.

Fluctuations of protein three-dimensional structures and large-scale conformational transitions are crucial for the biological function of proteins and their complexes. Experimental studies of such phenomena remain very challenging and therefore molecular modeling can be a good alternative or a valuable supporting tool for the investigation of large molecular systems and long-time events. In this mini-review, we present two alternative approaches to the coarse-grained (CG) modeling of dynamic properties of protein systems. We discuss two CG representations of polypeptide chains used for Monte Carlo dynamics simulations of protein local dynamics and conformational transitions and, on other hand, highly simplified structure-based Elastic Network Models of protein flexibility. In contrast to classical Molecular Dynamics the modeling strategies discussed here allow quite accurate modeling of much larger systems and longer time dynamic phenomena. We briefly describe the main features of these models and outline some of their applications, including modeling of near-native structure fluctuations, sampling of large regions of the protein conformational space, or possible support for the structure prediction of large proteins and their complexes.

Faba bean (Vicia faba L) is the first grain legume in terms of hectarage, total production and foreign exchange earnings in Ethiopia. The current study was designed to evaluate effect of NPS and bio-organic fertilizers on the yield and yield components of faba bean in Debre Markos University research farm. A total of 16 treatments were made from the factorial combination of four levels NPS (0, 50, 100 and 150 kg ha-1) and four levels bio-organic fertilizer (Nil BOF (Bio(Nil)), rhizobium (Bio(IR)), 10 t ha-1 FYM (Bio(FYM)) and FYM+Rhizobium (Bio(FYM+IR))) in randomized complete block design (RCBD) with three replications. The Walki (EH 96049-2) variety, which is high yielding, moderate disease resistant and water-logging tolerant used as test crop. The result experiment showed that, plot treated with Bio(FYM+IR)+NPS100 treatment gave statically maximum effective number of tillers (2.73), maximum number of pods per plant (20.30), hundred seeds weight (76.11g), grain yield (5.62 t ha-1), biomass yield (10.94 t ha-1) and Harvest index (59.91%) than over other treatments received NPS fertilizer with and without bio-organic fertilizers. Therefore, the combined use of 100kg ha-1 NPS with 10 tha-1 FYM and rhizobium inoculation is superior for optimum production of faba bean in study area.

Based on tests results, the possibility of using this solution in the technique of industrial hot forging was evaluated. The results of laboratory tests have confirmed that lubrication of metal pieces is sufficient as well as proved it to be effective in reducing decarburization of the surface layer. Research works conducted in an induction heater showed differences in decarburization depending on a substance and concentration of lubricants that were used. These differences become more apparent when observing the surface layer of the forged parts. Results indicate that decarburization may be reduced to a minimum when we use Bonderite product in a concentration of 66% and 50%. Another lubricant, Berulit 913, may also be used. However, due to burning graphite in high temperatures, reduction of decarburization goes only as far as half of the thickness of the decarbonized layer. Condursal has no significant effect; nevertheless, it protects over the induction heating stage.

Climate and land use changes are major factors affecting runoff in regional basins. Understanding variation by considering interactions among hydrological components is an important process for water resource management. This study aimed to assess the variation of future runoff in the Upper Chi Basin, Northeastern Thailand. QSWAT hydrological model was integrated to 3 CMIP6 GCMs including ACCESS-CM2, MIROC6, and MPI-ESM1-2-LR under SSP245 and SSP585 scenarios during 2023 – 2100. Land Change Modeler (LCM) was also used for future land use simulation. The results revealed that future average of long-term precipitation and temperature tended to increase while forest land tended to decrease and be replaced by sugarcane plantations. The accuracy assessment of baseline year runoff calculation by QSWAT during 1997 – 2022 showed acceptable result as can be seen from R2, NSE, RSR, and PBIAS indices. This result could lead to temporal and spatial simulation of future runoff. Likewise, runoff of 2 SSPs scenarios tended to increase consecutively, especially in SSP585 scenario. In addition, in case of long-term spatial changes in the subbasins scale, over 90% of the area, from upstream to outlet point, tended to get higher due to 2 major factors including future increased precipitation and changes in cultivation, which would be influential to groundwater and interflow components respectively. Methodology and result of this study can be useful to stakeholders in understanding changes in hydrological system so that they can apply it to develop a strategy for water resource management and handling factors affecting different dimensions properly and sustainably.

Laser metal deposition with wire (LMD-w) is a developing additive manufacturing (AM) technology that has a high deposition material rate and efficiency, and is suitable for fabrication of large aerospace components. However, control of material properties, geometry, and residual stresses is needed before LMD-w technology can be widely adopted for the construction of critical structural components. In this study, we investigated the effect of interlayer cooling time, clamp constraints, and tool path strategy on part distortion and residual stresses in large-scale laser additive manufactured Ti-6Al-4V components using finite element method (FEM). The simulations were validated with the temperature and the distortion measurements obtained from a real LMD-w process. We found that a shorter interlayer cooling time, full clamping constraints on the build plates, and a bidirectional tool path with 180⁰ rotation minimized part distortion and residual stresses and resulted in symmetric stress distribution.

Proprotein convertase subtilisin/kexin type 9 (PCSK9) is the key regulator of low-density lipoprotein cholesterol (LDL-C) plasma levels. We previously observed that treatment of dyslipidemic subjects with nutraceutical combination containing red yeast rice (monacolin K 3.3 mg), Berberis aristata cortex extract (Berberine 531.25 mg) and Morus alba leaves extract (1-deoxynojirimycin 4 mg) (LopiGLIK®) did not alter the plasma PCSK9 levels. Thus, the aim of the present study was to investigate the effect of these three components on PCSK9 expression in HepG2 cell line in relationship to their effects on LDL-C cellular uptake. HepG2 cell line were incubated with Berberis aristata cortex extract (BCE), red yeast rice (RYR) and Morus alba leaves extract (MLE) alone or in combination for 24 h. RYR (50 µg/mL) increased PCSK9 protein expression (WB and ELISA assays), PCSK9 mRNA and its promoter activity. BCE (40 µg/mL) reduced PCSK9 expression, mRNA levels and promoter activity. MLE determined a concentration-dependent inhibition of PCSK9 at mRNA and protein levels, with a maximal reduction at 1 mg/mL; no significant changes in PCSK9 promoter activity were found. MLE also downregulates the expression of fatty acid synthase and HMG-CoA reductase mRNA levels. The combination of RYR, BCE and MLE reduced PCSK9 at mRNA, protein, and promoter activity. Finally, this combination induced the LDL receptor and LDL-C uptake by HepG2 cells. In conclusion, the positive effect of MLE on PCSK9 supports the rational of using this nutraceutical combination to control hyperlipidemic conditions.

In this work, the structural dynamics of a commercial quadrotor was investigated, which presents problems of lateral stability or sliding instead of remaining self-leveling through its autonomous control system. The possible existence of vibrations motivated the characterization of the frequency response of the arms and propellers by means of the frequency response function (FRF) using the impact hammer technique. The experimental results provided sufficient information for the future implementation of structural solutions or through reprogramming in the autonomous control algorithm that compensates or mitigates the negative effect of vibration levels due to resonance phenomenon and improves the stability in self-leveling condition of the quadrotor.

Co-doped SnO2 nanocrystals with tetragonal rutile-type (space group P42/mnm) structure have been investigated using in-situ high-pressure synchrotron angle dis-persive X-ray diffraction till 20.9 GPa at ambient temperature. The analysis of ex-perimental results based on Rietveld refinements suggest that rutile-type SnO2 un-dergoes a structural phase transition at 14.2 GPa to an orthorhombic CaCl2-type phase (space group Pnnm) with no coexistence during the phase transition. No further phase transition is observed till 20.9 GPa. The low-pressure and high-pressure phases are related via a group/subgroup relationship. However, as a discontinuous change in the unit-cell volume is detected at the phase transition, thus, the phase transition can be classified as first-order type. On decompression the transition is found to be re-versible. The results are compared with previous high-pressure studies on SnO2.

ORF7b-2 is an accessory protein of the SARS-CoV-2 virus of only 43 amino acids. It has been implicated in various functional hypotheses, some of which predict its involvement as a trans-membrane protein. In this study, ORF7b-2 has often been compared to ORF7b-1 of the SARS virus to highlight differences and similarities with a protein that should have a similar biological role. Structural analysis of ORF7b-2 and its electrostatic characteristics show a polypeptide with both ends negatively charged and a diffuse negative charge over the entire structure. Therefore, its behavior in solution is like that of a weak negative polyelectrolyte, more precisely a polyanion with a net charge of – 4 at neutral pH. Its structure was modeled with two different modeling systems, one of which was ab initio. The two best models are similar, as confirmed by the Ramachandran plot, and show a central alpha-helical structure with two disordered and mobile ends. A normal mode analysis characterized the low-frequency dynamic aspects of the protein. The analysis of the structural shows a rigid central segment with mobile and fluctuating extremities, involved in a conformational equilibrium of the helix ↔ coil type. The calculation of the dipole moment shows its vector is not aligned with the main axis of the structure with an outward tilt of 24°. Molecular dynamics simulations were also conducted and the one in water is in good agreement with the previous results. While, the simulation performed by inserting a pre-oriented dimer (OMP) into a solvated lipid showed the low tendency of the protein to solvate in the apolar environment of the membrane. ORF7b-2 also shows a widespread distribution of negative surfaces that dynamically adjust to changes in structural organization. The BioGrid platform's [Biological General Repository for Interaction Datasets] through the BioGrid COVID-19 Coronavirus Curation Project shows a very large number of experimentally proven physical interactions unique to ORF7b-2, some of them with cytoplasmic proteins. These features of ORF7b-2, evaluated together, suggest a remarkable propensity of ORF7b-2 to interact with multiple molecular partners on both an electrostatic and hydrophobic basis. All this makes it unreasonable that the only biological function of this protein should be that exerted as an intramembrane protein.

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) responsible for the disease COVID-19 has wreaked havoc on the health and economy of humanity. In addition, the disease is observed in domestic and wild animals. The disease has impacted directly and indirectly every corner of the planet. Currently, there are no vaccines and effective therapies for COVID-19. SARS-CoV-2 is an enveloped virus with a single-stranded RNA genome of 29.8 kb. More than two-thirds of the genome comprises Orf1ab encoding 16 non-structural proteins (nsps) followed by mRNAs encoding structural proteins, spike (S), envelop (E), membrane (M), and nucleocapsid (N). These genes are interspaced with several accessory genes (open reading frames [Orf] 3a, 3b, 6, 7a, 7b, 8, 9b, 9c and 10). The functions of these proteins are of particular interest for understanding the pathogenesis of SARS-CoV-2. Several of the nsps (nsp3, nsp4, nsp6) and Orf3a are transmembrane proteins involved in regulating the host immunity, modifying host cell organelles for viral replication and escape and hence considered drug targets. In this paper we report mapping the transmembrane structure of the non-structural proteins of SARS-CoV-2.

Structural health monitoring of lightweight constructions made of composite materials can be performed using guided ultrasonic waves. If modern fiber metal laminates are used, this requires integrated sensors that can record the inner displacement oscillations caused by the propagating guided ultrasonic waves. Therefore, we have developed a robust MEMS vibrometer that can be integrated with structural and functional compliance. This vibrometer is directly sensitive to the high-frequency displacements from structure-borne ultrasound when excited between its first and second natural frequency. The vibrometer is mostly realized by processes earlier developed for a pressure sensor but with additional femtosecond laser ablation and wafer bonding. The piezoresistive transducer made from silicon is encapsulated between top and bottom glass lids. The natural frequencies are experimentally determined using an optical micro vibrometer setup. The vibrometer functionality and usability for structural health monitoring are demonstrated on a customized test rig by recording application-relevant guided ultrasonic wave packages with a central frequency of 100 kHz at a distance of 200 mm from the exciting ultrasound transducer.

This paper presents an algorithm for the fully automatic mesh generation for the finite element analysis of ships and offshore structures. The quality requirements on the mesh generator are imposed by the acceptance criteria of the classification societies as well as the need to avoid shear locking when using low degree shell elements. The meshing algorithm will be generating quadrilateral dominated meshes (consisting of quads and triangles) and the mesh quality requirements mandate that quadrilaterals with internal angles close to $90\degree$ are to be preferred. The geometry is described by a dictionary containing points, rods, surfaces and openings. The first part of the proposed method consist of an algorithm to automatically clean the geometry. The corrected geometry is then meshed by the frontal Delaunay mesh generator as implemented in the gmsh package. We present a heuristic method to precondition the cross field of the frontal quadrilateral mesher. Also the influence of the order in which the plates are meshed will be explored as a preconditioning step.

The most common index for representing structural condition of the pavement is the structural number. The current procedure for determining structural numbers involves utilizing falling weight deflectometer and ground-penetrating radar tests, recording pavement surface deflections, and analyzing recorded deflections by back-calculation manners. This procedure has two drawbacks: 1. falling weight deflectometer and ground-penetrating radar are expensive tests, 2. back-calculation ways has some inherent shortcomings compared to exact methods as they adopt a trial and error approach. In this study, three machine learning methods entitled Gaussian process regression, m5p model tree, and random forest used for the prediction of structural numbers in flexible pavements. Dataset of this paper is related to 759 flexible pavement sections at Semnan and Khuzestan provinces in Iran and includes “structural number” as output and “surface deflections and surface temperature” as inputs. The accuracy of results was examined based on three criteria of R, MAE, and RMSE. Among the methods employed in this paper, random forest is the most accurate as it yields the best values for above criteria (R=0.841, MAE=0.592, and RMSE=0.760). The proposed method does not require to use ground penetrating radar test, which in turn reduce costs and work difficulty. Using machine learning methods instead of back-calculation improves the calculation process quality and accuracy.

Various sudden shifts in financial market conditions over the past decades have demonstrated the significant impact of market structural breaks on firms' credit behavior. To characterize such effect quantitatively, we develop a continuous-time modulated Markov model for firms' credit rating transitions with the possibility of market structural breaks. The model takes a semi-parametric multiplicative regression form, in which the effects of firms' observable covariates and macroeconomic variables are represented parametrically and nonparametrically, respectively, and the frailty effects of unobserved firm-specific and market-wide variables are incorporated via the integration form of the model assumption. We further develop a mixtured-estimating-equation approach to make inference on the effect of market variations, baseline intensities of all firms' credit rating transitions, and rating transition intensities for each individual firm. We then use the developed model and inference procedure to analyze the monthly credit rating of U.S. firms from January 1986 to December 2012, and study the effect of market structural breaks on firms' credit rating transitions.

This paper studies the combined effect of corrosion and fatigue on the growth of cracks in aircraft and on the effect of skin corrosion and stress corrosion cracking on the load bearing capacity of rib stiffened aircraft wings. In this context it is shown that the growth of cracks from surface pitting, and also from intergranular cracking at a fastener hole, can be accurately computed using the Hartman-Schijve variant of the NASGRO crack growth equation. The examples studied support the lead crack approach, that has been independently developed by the USAF and the Australian Defence Science Technology Group, in which the growth of lead cracks is often exponential. In the case of skin corrosion it is shown that to be consistent with the US Joint Service Structural Guidelines (JSSG2006) assessment of its effect on the load bearing capacity of the wing should involve an assessment of whether at 115% DLL the remaining material exceeds the yield stress of the material.

Today, the style of light construction materials used in building is one of the most important factors in reducing building's dead load and better performance of the structures in the earthquake. One of the ways to reduce the structure weight is to use lightweight blocks instead of using traditional materials. The main purpose of this research is to compare density, compressive strength and water absorption volume of non-load-bearing lightweight blocks made of natural and artificial lightweight aggregates. Scoria lightweight aggregates of Sanandaj, Ghorveh mine, pumice in Tabriz, Bostanabad mine, and Leca in Leca enterprise have been used to make the samples. Given the importance of the materials used, grading of coarse-grained materials has been conducted based on the standard of 7657 and grading of fine materials have been conducted based on the standard of 302.The experiments' results show that Scoria blocks due to hard texture, and high mechanical resistance of their lightweight aggregates, have had higher compressive strength, and density and lower water absorption volume compared to pumice and Lika lightweight aggregate blocks. Pumice blocks despite having desirable compressive strength and lower density compared to the two other blocks have higher water absorption volume, and do not meet the standard conditions. This same factor causes it faces with less interest. Among these Lika blocks with density of 1151.94 (kg per cubic meter) below 2000 kilograms per cubic meter of Iran density standard of 7782 (28-day compressive strength of 2.57 MPa), higher than 2.5 MPa of Iran compressive strength standard of 7782 (and water absorption volume of 282.92 kg per cubic meter) below 288 kilograms per cubic meter of Iran water absorption volume standard of 7782 (as a non-load-bearing lightweight block) have been diagnosed desirable.

Land Surface Temperature (LST) and Land Use Land Cover (LULC) are the principal aspects of climate and environment studies. The object of the study is to assess spatial relationship between LST and remote sensing LULC indices at the global and continental scale. Moderate Resolution Imaging Spectroradiometer (MODIS) Aqua daytime LST and eight LULC MODIS indices of 2018 prepared and processed using Earth Engine Code Editor. R squared and significance of the relationship values of randomly selected points computed in R program. The research observed the relationship between examined indices and LST is significant at the 0.001 level. Normalized Difference Water Index (NDWI) and Normalized Difference Snow Index (DSI) are the dominant drivers of LST in the world, Asia and North America. In Australia and Africa, Normalized Difference Vegetation Index (NDVI) and Enhanced Vegetation Index (EVI) are the dominant drivers of LST. Albedo and Normalized Difference Soil Index (NDSI) have superior in Central America. In South America and Europe, the dominant driver of LST is NDWI. Relationship between albedo and LST is moderate inverse on a global scale. Observed relationship between LST and examined vegetation indices is positive in Europe and North America while inverse in Australia and Africa. All observed relationship between Normalized Difference Built-up Index (NDBI) and LST are positive. Association observed between NDSI and LST is positive in Australia, Africa and Central America.

This paper focuses on the impact that urban traffic has on the environment. The study characterizes the global effect of GHG emissions, including the ecologic evaluation and the characterization, normalization, and evaluation factor. The work makes a detailed survey of the different modes of driving and their influence on engine performance as one of the principal causes of gas emissions during the combustion process. The article analyzes six types of vehicles equipped with different engine configurations: diesel and gasoline, GLP and GNC, hybrid electric, and plug-in hybrid electric. Simulation of the driving mode under various operational conditions for every type of engine results in energy consumption, thus, in GHG emissions, carbon dioxide and monoxide, nitrogen oxides, and Sulphur dioxide. The study concludes that a reduction in vehicle speed, thus in the engine revolutions, has positive effects on engine combustion and gasses emissions, which is reduced by 27.5%. The study also concludes that the limitation in driving mode, avoiding sharp and sudden acceleration, may reduce up to 45% of GHG emissions. The changes applied in the driving mode improve the air quality in the urban environment, reducing the content of GHG from 39% to 61%.

The multifarious internal workings of organisms are difficult to reconcile with a single feature defining a state of ‘being alive’. Indeed, definitions of life rely on emergent properties (growth, capacity to evolve, agency) only symptomatic of intrinsic functioning. Empirical studies demonstrate that biomolecules including ratcheting/rotating enzymes, ribozymes and pigment molecules undergo repetitive conformation state changes driven by energy absorption, excitation and relaxation. They exhibit disparate structures, but govern processes relying on directional physical motion (DNA transcription, translation, ATP synthesis, cytoskeleton transport, photosynthetic resonance energy transfer) and share the principle of repetitive uniplanar conformation changes driven by thermodynamic gradients, producing dependable unidirectional motion: ‘heat engines’ exploiting thermodynamic disequilibria to perform work. Recognition that disparate biological molecules share a heat engine principle governing directional motion, working in self-regulating networks, allows a mechanistic definition: life is a self-regulating process whereby matter undergoes cyclic, uniplanar conformation state changes that convert thermodynamic disequilibria into directed motion, performing work that locally reduces entropy. ‘Living things’ are structures including autonomous networks of units operating on the heat engine principle. Death is loss of integrated heat engine function. These principles are independent of any specific chemical environment, and can be applied to other biospheres.

During disaster response, clouds or darkness can prevent the use of optical images for detecting consequences of natural disasters, including landslides. In these situations, radar images can be used to detect changes more rapidly. However, Synthetic Aperture Radar (SAR) backscatter intensity images are underutilized for landslide detection. Unfortunately, there remains a lack of understanding about how to interpret landslide signatures in SAR imagery. In this study, we investigate how the morphometric features and material properties of landslides, and preexisting land cover, control their expression in SAR backscatter intensity change images. Trends in the spatial and temporal signatures of over 1000 landslides in 30 diverse case studies are investigated, using multi-temporal composites and dense time-series of Sentinel-1 C-band SAR backscatter intensity data. The results show that the orientation of landslide surfaces relative to the sensor, pre-existing land cover, and the roughness of the landslide surface, determine whether landslides will produce an increase or decrease in backscatter intensity values. In certain cases, we can identify morphometric features of landslides (e.g. scarps, transit zone, deposits, ponding) and material properties. Generally, we see that landslides appear most clearly with a strong increase in intensity when they occur in herbaceous vegetation or non-vegetated ground surfaces, due to an increase in surface roughness. While in forested or densely vegetated areas, landslides produce a more complex signature with both decreases due to radar shadow and vegetation removal, and an adjacent edge of increased intensity due to double bounce and direct return from vertical tree trunks and convex edges. In most cases, rough deposits produce an increase in intensity, while smooth deposits (e.g. from mudslides) exhibit specular reflection, and thus show decreased values. Landslides are less visible in cases with pre-event very rough ground, or mixed vegetation conditions. The conceptual model developed can aid interpretation of landslides in SAR imagery, and provide domain knowledge needed to train models for automatic landslide detection.

This present work explores the performance of a thermal-magnetic engine of Otto type, considering as a working substance an effective interacting spin model corresponding to the q− state clock model. We obtain all the thermodynamic quantities for the q = 2, 4, 6, 8 cases in a small lattice size (3×3 with free boundary conditions) by using the exact partition function calculated from the energies of all the accessible microstates of the system. The extension to bigger lattices was performed using the mean-field approximation. Our results indicate that the total work extraction of the cycle is highest for the q=4 case, while the performance for the Ising model (q=2) is the lowest of all cases studied. These results are strongly linked with the phase diagram of the working substance and the location of the cycle in the different magnetic phases present, where we find that the transition from a ferromagnetic to a paramagnetic phase extracts more work than one of the Berezinskii–Kosterlitz–Thouless to paramagnetic type. Additionally, as the size of the lattice increases, the extraction work is lower than smaller lattices for all values of q presented in this study.

The strategy of any organization is based on the growth of its customer base, and one of its principles is that selling a product to an existing customer is much more profitable than acquiring a new customer. However, this approach has several opportunities for improvement, since it usually has a totally reactive approach, which does not give opportunity to the areas specialized in customer experience and recovery, to give an effective response for that moment, since the customer is gone at the time of the intervention. This happens because usually a diagnostic analysis of customers who have stopped buying products or services in a defined period, commonly three (3) periods or months, is performed. This thesis work challenges the way to face this problem, and proposes the development of a complete solution, which does not focus exclusively on the prediction of churn, as is usually done in the state of the art research, but to intervene in different interactions that can be carried out with customers. The above focused not only to prevent customer churn, but to generate an added value of continuous improvement in sales processes, increase customer penetration, leading to an improvement in customer experience and consequently, an increase in customer loyalty.

Physical distancing and wearing a face mask are key interventions to prevent COVID-19. While this remains difficult to practice for millions of firefighters in fire engines responding to emergencies, the delayed forthcoming of evidence on the physical effectiveness of such safety interventions in this setting presents a major problem. In this field experimental study, we provided initial evidence to close this gap. We examined total aerosol burden in the cabin of a fire engine whilst manipulating crew size, natural ventilation, use of FFP2 respirators and use of SCBA full-face masks during 15-minute driving periods. At the same time, we controlled for crew activity and speaking, vehicle speed, cabin air temperature, pressure and humidity. Limiting the crew size, using FFP2 respirators and not donning SCBA full-face masks was associated with a reduction of the arithmetic mean of total aerosol burden of up to 49%. Natural ventilation as tested in this study was associated with both an increase and a decrease of total aerosol burden. This study provided initial evidence on the physical effectiveness of safety interventions in fire engines to reduce potential airborne transmission of SARS-CoV-2 through aerosols. More research about the physical and clinical effectiveness of such safety interventions is needed.

The meaning and evolution of the notion of “temperature” (which is a key concept for the condensed and gaseous matter theories) is addressed from the different points of view. The concept of temperature turns out to be much more fundamental than it is conventionally thought. In particular, the temperature may be introduced for the systems built of “small” number of particles and particles in rest. The Kelvin temperature scale may be introduced into the quantum and relativistic physics due to the fact, that the efficiency of the quantum and relativistic Carnot cycles coincides with that of the classical one. The relation of the temperature to the metrics of the configurational space describing the behavior of system built from non-interacting particles is demonstrated. The Landauer principle asserts that the temperature of the system is the only physical value defining the energy cost of isothermal erasing of the single bit of information. The role of the temperature the cosmic microwave background in the modern cosmology is discussed.

As an important part of coastal wetlands, tidal flats provide unique ecosystem services and functions. China's tidal flats are significantly threatened by industrialization, urbanization, aquaculture expansion and coastline reconstruction, and there is an urgent need for sustainable strategies to balance the protection and utilization of tidal flats. Remote sensing technology can realize large-scale spatiotemporal research of tidal flats, comprehensively improve the ecological environment of coastal zones, and help achieve the overall planning goals of major projects for the protection and restoration of important ecosystems in China. In this study, based on GEE (Google Earth Engine) platform, Sentinel-2 (MSI), Landsat 8 (OLI) and Landsat 9 (OLI-2) remote sensing images were used to construct multi-source intensive time series remote sensing image collection, combined with MSIC-OA algorithm. The tidal flat data of China in 2018 and 2023 are extracted and analyzed. The results show as follows: 1) The overall classification accuracy of the tidal flat in 2023 is 95.19%, and the Kappa coefficient is 0.89; In 2018, they were 92.77% and 0.83 respectively. 2) The total tidal flat area in 2018 and 2023 is 8300.34km2 and 8151.54km2, respectively, a decrease of 148.80km2; 3) In 2023, estuarine and bay tidal flats will account for 54.88% of the total area, and most of the tidal flats will be distributed near river inlets and bays; 4) In 2023, the total length of the coastline adjacent to the tidal flat is 10196.17km, of which the artificial shoreline accounts for 67.06%, and the development degree of the tidal flat is 2.04, indicating that most of the tidal flat has been developed and utilized. The research results provide valuable reference for the scientific planning and rational utilization of tidal flat resources in China.

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.

Introduction: Diclofenac is the most prescribed non-steroidal anti-inflammatory drug worldwide and used to reliev pain and inflammation for inflammatory arthritis. Diclofenac do not slows disease progression and cartialge damage of Rheuamtoid Arthritis individuals. Moreover, it associated with seriuos adverse effects even using regular dose regimens. Drug delivery systems can overcome this issues reducing adverse effects and optmizing efficacy. Objectives: to evaluate the activity of a lipid-core nanocapsule loaded of Diclofenac (DIC-LNC) in an experimental model of adjuvant-induced arthritis and its anti-arthritic properties at the joint components. Methods: The diclofenac nanoformulation was obtained by self-assembling methodology. The stereology analysis aproach was applied for morphological quantification of the volume, density and cellular profile count of the metatarsophalangeal joints of rats induced to adjuvant arthritis. Proinflamatory cytokines and biochemical profile was also obtained. Results: DIC-LNC is able to reduce arthitis compared to control group (p<0.0001) and DIC group (p=0.009). The TNF and IL1 cytokine as well as C-reative protein and Xanthine-oxidade were efficiently reduced by DIC-LNC. Additionally, DIC-LNC reduces synovites and condrocytes lossing compared to DIC (p<0.05)and control group (p<0.05). The synovial space volume was higher for DIC-LNC compared to DIC (p<0.05) and Control (p<0.05). These data are suggesting that DIC-LNC is showing anti-arthritic actvity preserving deep joint components. Conclusion: DIC-LNC is a promissing nanoformulation for clinical use, since is able to reduce joint inflamation and synovits, avoiding damage of cartilage and synovial space at advjuvant athrits. Further studies and developments are necessary to achieve future clinical use.

The current study aimed to assess the components of the intervention program “Aquatic”, targeted at the reduction of bottled water use in adolescence. The Comprehensive Action Determination Model was chosen as a theory of change for the development and evaluation of pro-environmental behavior intervention. We examined the impact of five experimental intervention factors (water bottles, promo video, prompts, goal setting, and feedback) on eight intervention program outcomes: Perceived behavioral control, Social norm, Habit, Awareness of need, Awareness of consequence, Personal norm, Intention, and Behavior. The study sample consisted of 419 adolescents (52.8% girls, Mage = 15.21, SDage = .64) from Lithuania. A factorial experimental study design was used, and a Latent change modeling approach was applied for the evaluation of individual and combined effects of intervention components. Promo video, Prompts, and Goal setting had a positive effect on Awareness of consequence, Social norm, and Awareness of need, respectively. Receiving a Water bottle in combination with the Promo video had a positive effect on Perceived behavioral control and in combination with Prompts as well as Goals – on Awareness of need. Water bottles, Promo-video, Prompts, and Goals, but not Feedback, had value in the promotion of targeted pro-environmental outcomes.

Man-made chemicals have played an important role in the development of our modern society. They have revolutionized such areas as healthcare and farming and they are essential in the manufacture of a wide range of consumer products. In studying the behavior of radionuclides and metals in the bottom sediment-water system, special attention is paid to identifying the forms of existence of pollutants in terms of substantiating their migration ability and, as a result, the po-tential for their subsequent spread, i.e. secondary pollution. On the example of bottom sediments of the Yenisei River, such radionuclides as K-40, Cs-137 are shown to be present mostly in the undecomposed residue. Eu-252 and Am-241 are associated with the organic component of bottom sediments, consisting of plant and animal remains, as well as soil washed away from the floodplain part of the river bed. The radionuclide Co-60, depending on the mineralogical composition of bottom sediments, can either be almost evenly distributed between the undecomposed residue and organic matter, or dominate in the undecomposed residue. Thus, it is shown that man-made ra-dionuclides can have a high tendency to migrate, both in the thickness of bottom sediments and between such phases as bottom sediments and water.

This research paper focuses on the synthesis and characterization of Cu-doped Mg-Co ferrites with varying compositions (Mg_0.6-xCo_0.4Cu_xFe₂O₄, where x = 0.0, 0.1, 0.2, and 0.3) using a solid-state reaction method. This paper also investigates the structural, morphological, magnetic, and electrical characteristics of synthesized Mg_0.6-xCo_0.4Cu_xFe₂O₄, where x = 0.0, 0.1, 0.2, and 0.3. The X-ray diffraction (XRD) technique confirms the ferrites spinel structure in the Fd-3m space group, with average crystallite sizes ranging from 57.29 to 48.57 nm. Fourier Transform Infrared (FTIR) spectroscopy verifies chemical and structural changes, while scanning electron microscopy (SEM) reveals cubic crystal growth with an average grain size of 1 to 1.5 μm. DC electrical resistivity decreases with increasing temperature and Cu²⁺ substitution, ranging from 1.4 x 10⁶ Ω-cm to 6.7 x 10⁵ Ω-cm. The study suggests a correlation between resistivity and Cu²⁺ concentration. Magnetic behaviour, studied using a Vibrating Sample Magnetometer (VSM), shows dependence on dopant concentration, with coercivity ranging from 157 Oe to 256 Oe. The results indicate potential applications in magnetic storage devices, antennas, transformers, and high-frequency electronics.

The pursuit of more efficient transport has led engineers to develop a wide variety of 1 aircraft configurations with the aim of reducing fuel consumption and emissions. However, these 2 innovative designs introduce significant aeroelastic couplings that can potentially lead to structural 3 failure. Consequently, aeroelastic analysis and optimization has become an integral part of modern 4 aircraft design. In addition, aeroelastic testing of scale models is a critical phase in aircraft devel- 5 opment, requiring accurate prediction of aeroelastic behaviour during scale model construction to 6 reduce costs and mitigate risks associated with full-scale flight testing. Achieving a high degree of 7 similarity between the stiffness, mass distribution and flow field characteristics of scaled models 8 and their full-scale counterparts is of paramount importance. However, achieving similarity is 9 not always straightforward due to the variety of configurations of modern lightweight aircraft, as 10 identical geometry cannot always be directly scaled down. This configuration diversity has a direct 11 impact on the aeroelastic response, necessitating the use of computational aeroelasticity tools and 12 optimization algorithms. This paper presents the development of an aeroelastic scaling framework 13 using multidisciplinary optimization. Specifically, a parametric Finite Element Model (FEM) of the 14 wing is created, incorporating parameterisation of both thickness and geometry, primarily using 15 shell elements. Aerodynamic loads are calculated using the Doublet Lattice Method (DLM) em- 16 ploying twist and camber correction factors, and aeroelastic coupling is established using infinite 17 plate splines. The aeroelastic model is then integrated within an Ant Colony optimization (ACO) 18 algorithm to achieve static and dynamic similarity between the scaled model and the reference wing. 19 A notable contribution of this work is the incorporation of internal geometry parameterisation into 20 the framework, increasing its versatility and effectiveness.

Reactions of N‚N'-bis(3-methylpyridyl)oxalamide (L1), N,N’-bis(3-methylpyridyl)adipoamide (L2) and N,N’-bis(3-methylpyridyl)sebacoamide (L3) with tricarboxylic acids and Cu(II) salts afforded {[Cu(L1)(1,3,5-HBTC)]·H2O}n (1,3,5-H3BTC = 1,3,5-benzenetricarboxylic acid), 1, {[Cu1.5(L2)1.5(1,3,5-BTC)(H2O)2]·6.5H2O}n, 2, [Cu(L2)0.5(1,3,5-HBTB)]n (1,3,5-H3BTB = 1,3,5-tri(4-carboxyphenyl)benzene), 3, [Cu4(L3)(OH)2(1,3,5-BTC)2]n, 4, {[Cu3(L3)2(1,3,5-BTB)2]·2.5MeOH·2H2O}n, 5, and {[Cu3(L3)2(1,3,5-BTB)2 ]·DMF·2H2O}n, 6, which have been structurally characterized by using single crystal X-ray crystallography. Complexes 1 – 4 form a 2D layer with the {44.62}-sql topology, a 2D layer with the (4.62)2(42.62.82)-bex topology, a 3-fold interpenetrated 3D net with the (412.63)-pcu topology and a 3D framework with the (410.632.83)(42.6)2(43.63) topology, respectively, whereas 5 and 6 are 3D frameworks with the (63)2(64.82)(68.85.102) topology. Complex 5 shows a better iodine-adsorption factor of 290.0 mg g-1 at 60 oC for 360 minutes than the other ones, revealing that the flexibility of the spacer ligand governs the structural diversity and the adsorption capacity.

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