Porous hierarchical structure has been widely used in engineering for its high specific strength and stiffness, improved corrosion-resistance and multifunctionality. The design of multi-scale topology optimization for such structures has been a hot topic during the past two decades. In this paper, a new hybrid MMC-density topology optimization method of cellular structures with quasi-periodic microstructures is proposed. The so-called ‘quasi-periodic’ means the microstructures in different macro points have similar topology but with different parameters. The key idea is to describe the microstructural topology using MMC and describe the micro layout using the variable density. Sensitivities of the structural compliance with respect to the two types of design variables are derived and gradient optimization method is applied to update the design variables. The presented numerical examples show that the quasi-periodic cellular structures have better performance than single-scale structures and periodic cellular structures. Numerical examples demonstrate the effectiveness of the proposed approach.

Healthcare leaders are faced with many financial challenges in the contemporary environment, leading to many bankruptcies in recent years. What is not well understood are the specific conditions that lead to organizational economic failure. Ideally, hospital leaders could examine the literature for guidance to predict bankruptcy before it occurs. However, existing regression methods have proven inadequate, especially when the finance variables follow a nonnormal frequency pattern. Furthermore, the regression approach encounters difficulties due to multicollinearity and nonnormality issues. Therefore, an alternate stochastic approach for predicting the probability of hospital bankruptcy is warranted. This new method includes computing and interpreting the correlations between the hospital’s revenue and expenses for bivariate lognormal data, calculating the risk of bankruptcy due to the mismatch between revenues and expenses, determining the likelihood of a hospital’s expense exceeding the state’s median expense level, and evaluating a hospital’s financial memory level. Ultimately in our research, we demonstrate a novel approach to anticipate hospital bankruptcy, which can be particularly useful for health policy analysts and hospital leaders in making informed financial decisions and proactively managing risks to ensure the sustainability and stability of their institutions.

The superfamily of Acid proteases has two catalytic aspartates for proteolysis of their peptide substrates. Here, we show a minimal structural scaffold, the Structural Catalytic Core (SCC), which packs all conserved substructure elements around the catalytic machinery, and which can be found in all enzymes of the Acid proteases superfamily. The SCC is a dimer of several structural blocks, such as the DD-link, the D-loop and the G-loop, around two catalytic aspartates in each protease subunit or within an individual chain. The dimer of two D-loop/DD-link substructures makes a DD-zone, and the dimer of two D-loop/G-loop substructures makes a psi-loop. These structural markers are useful for protein comparison, structure identification, protein family separation and protein engineering.

Although promoting healthy eating is a policy objective, the controllability of dietary habits remains uncertain. The personal dietary patterns reflect many factors, of which some are relatively controllable for individual, and others are not. In this article, assuming that some sort of information about controllability of dietary habits is contained in the observed pattern of food consumptions, we focused on dietary pattern on its own. We introduced a statistical descriptive model for data on food frequency questionnaire, estimated strength of pairwise linkage between foodstuffs, and grouped foodstuffs by applying community detection to the networks of the estimated inter-food linkages. Those linkages represent co-movement of pairs of foods consumption. Furthermore, we demonstrated an analysis on the relationship between health of mind and dietary habits considering the aspect of controllability of dietary habits. Using an observational study in Japan, we obtained the following results: 115 foodstuffs were divided into 3 groups for both of genders, but the compositions were different by gender; in the analysis of mental health, some stress response items were associated with the dependence on some of those food groupings. As the grouping of foodstuffs based on our estimation depicted the internal structure of dietary habit that a healthy eating policy should regard as constraint, it follows that we should design the policy along the line with that grouping.

In this study, a new diphosphate compound, Ag0.2Na0.6FeP2O7, was synthesized using a solid-state reaction method and extensively studied using various techniques. The compound's structure was confirmed through X-ray diffraction analysis, revealing a single-phase monoclinic structure with the P21/C space group. The electrical behavior of the compound was investigated, and its conductivity followed Jonscher's universal law. The correlated barrier hopping (CBH) model explained the temperature-dependent ac conductivity and parameter "s" well. The study also explored the contribution of single-polaron and bipolaron hopping to the a.c. conductivity and discussed the ionic conductivity in relation to the structural characteristics of the sample. Overall, this investigation significantly enhances our comprehension of the distinctive electrical properties of Ag0.2Na0.6FeP2O7 and its potential practical applications.

This paper investigates the impact of debt financing on dividend payments when they face the agency costs of free cash flow. Focusing on a sample of 120 firms listed on the Saudi Stock Exchange during the period 2011-2021. The study found a negative association between agency cost of free cash flow and dividend payment. More importantly, our research highlights the significant role of long-term debt in making more prudent use of free cash flow. The obligation to meet interest and principal payments acts as an incentive for them to steer clear of unprofitable expenses and risky investments. Concurrently, long-term debt imposes restrictive clauses in debt contracts, such as minimum dividend distribution requirements, which further encourage higher dividend payments. Since interest and debt repayments are fixed obligations, using free cash flow for dividend disbursement is considered a more profitable and beneficial approach for shareholders in the context of Saudi Arabia.

RAMOSA1 (RA1) is a Cys2-His2-type (C2H2) zinc finger transcription factor that controls plant meristem fate and identity and has played an important role in maize domestication. Despite its importance, the origin of RA1 is unknown and the evolution in plants is partially understood. In this paper, we present a well resolved phylogeny based on 73 amino acid sequences from 48 embryophyte species. The recovered tree topology indicates that, during grass evolution, RA1 arose from two consecutive SUPERMAN duplications resulting in three distinct grass sequence lineages: RA1-like A, RA1-like B, and RA1; however, most of these copies have unknown functions. Our findings indicate that RA1 and RA1-like play roles in the nucleus despite lacking a traditional nuclear localization signal. Here we report that copies diversified their coding region and, with it, their protein structure, suggesting different patterns of DNA binding and protein-protein interaction. In addition, each of the retained copies diversified regulatory elements along their promoter regions, indicating differences in their upstream regulation. Taken together, we propose that the RA1 and RA1-like gene families in grasses may have undergone subfunctionalization and neofunctionalization enabled by gene duplication.

The attitude dynamics and orbit dynamics of large rigid space structures are coupled with each other under gravity gradient, which may affect the stability of the large rigid space structures. In this paper, the gravity gradient stability of a large rigid space structure is studied under both small and large disturbances. Based on the rigid body dynamics and orbit dynamics, an accurate dynamic model without any linearization of the large rigid space structure is established via the natural coordinate formulation (NCF), which is able to describe the large overall motions of the structures. By using the generalized-α algorithm, the gravity gradient stability of the large rigid space structure is simulated and analyzed via various examples, including the influence of large disturbance angles, the positions at the stabilization and unstabilization regions. Finally, the relationship between spinning stability and gravity gradient stability is also investigated via a large spinning space structure.

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.

In order to study the way how to improve the spatial action of precast monolithic composite floor slabs, and would replace the cast-in-place surface layer for reduce the weight of structure, using pseudo-dynamic tests on 1/4 scale models of two-span and three-story frame structure. The lateral load tests compared the stresses and displacements with cast-in-place floor frame-shear wall structure (SJ1) and precast monolithic floor frame-shear wall structure with X horizontal braces at the bottom of the floor (SJ2). The results show the X horizontal braces can improve the spatial action. Structural integrity (SJ2) as well as the effective transmission of the horizontal force can be ensured by additional X bracing at the bottom of the rigidity of the floor without cast-in-place concrete topping. The results show that X horizontal braces more effectively transfer horizontal, which provides a beneficial reference for similar research.

Research on titanium oxo complexes (TOCs) are usually focused on their structure and photocatalytic properties. Findings from these investigations spurred our interest in exploring also their potential biological activities. In this study, we focused on the synthesis and structure of a compound with the general formula [Ti8O2(OiPr)20(man)4] (1), which was isolated from the reaction mixture of titanium(IV) isopropoxide with mandelic acid (Hman) in a molar ratio of 4:1. The structure (1) was determined using single-crystal X-ray diffraction, while spectroscopic studies provided insights into its physicochemical properties. To assess the potential practical applications of (1), its microcrystals were incorporated into a polymethyl methacrylate (PMMA) matrix, yielding composite materials of the type PMMA + (1) (2 wt.%, 5 wt.%, 10 wt.%, and 20 wt.%). The next stage of our research involved the antimicrobial activity evaluation of the obtained materials. Investigations carried out demonstrated antimicrobial activity of pure (1) and its composites (PMMA + (1)) against both Gram-positive and Gram-negative strains. Furthermore, MTT tests conducted on the L929 murine fibroblast cell line confirmed the lack of cytotoxicity of these composites. Our study identified (1) as a promising antimicrobial agent, also for producing composite coatings.

This article introduces a novel payload structure, which has been experimentally proven to have smaller impact force while the carried internal electronics remains intact. The study describes in details how materials and geometric structures were chosen based on information analysis. It is clarified how possible geometric structures and materials can be chosen to yield optimal efficiency. Finite element method simulations were carried out to investigate the mechanical properties of several geometric structures, which has led to the dodecahedron form. For the frame, Polylactic Acid were chosen as an optimal material. A low air pressure test for parts of the structure, and also the whole structure were carried out with successful results. Drop tests, with force measuring sensors and high speed videos, were carried out for measuring and comparing the maximal impact force of classical payloads and the novel one. Laboratory and real life tests demonstrated that the developed new structure is safer and it is applicable.

Because data on the fungal gut community structure of African children are scarce, we aimed to describe by reanalysing rRNA ITS1 and ITS2metabarcoding data from a study designed to assess the influence of microbiota in malaria susceptibility in Malian children from the Dogon country. More specifically, we aimed to establish the core gut mycobiome and compare the gut fungal community structure of breastfed children, aged 0-2 years, with other age groups. Briefly, DNA was extracted from 296 children’s stool samples. Both rRNA ITS1 and ITS2 genomic barcodes were amplified and subjected to Illumina MiSeq sequencing. The ITS2 barcode generated 1,975,320 reads and 532 operational taxonomic units (OTUs), while the ITS1 barcode generated 647,816 reads and 532 OTUs. The alpha diversity was significantly higher by using the ITS1 compared to the ITS2 barcode (p

The dimethylaminophenyl-substituted silver phthalocyanine [dmaphPcAg] can be used as a UV-vis photoinitiator for in situ preparation of a silver/polymer nanocomposite. To verify early steps of the supposed mechanism of radical polymerization, we performed quantum chemical calculations of m[dmaphPcAg]q complexes with charges q = +1 to -2 in the two lowest spin states m, of a free ligand and its dehydrogenated/deprotonated products m[dmaphPcHn]q, n = 2 to 0, q= 0, -1 or -2, in the lowest spin states m. The calculated electronic structures and electron transitions of all the optimized structures in CHCl3 solutions are compared with experimental EPR and UV-vis spectra, respectively. The unstable 3[dmaphPcAg]+ species deduced only from previous EPR spin trap experiments was identified. In addition to 2[dmaphPcAg]0, our results suggest the coexistence of both reaction intermediates 1[dmaphPcAg]- and 3[dmaphPcAg]- in reaction solutions. Silver nanoparticle formation is a weak point of the supposed reaction mechanism from the energetic, stereochemistry, and electronic structure points of view.

A survey of the trends in metal-ligand coordination and hydrogen bonding has been carried out on complexes of singly deprotonated cyanuric acid CY− and alkaline earth metals, synthesised from aqueous solution and characterised by X-ray crystallography. Involvement of cyanurate in the metal coordination increases from Mg through Ca and Sr to Ba relative to coordination by water, in parallel with the increasing ionic radius and coordination number. The incidence of bridging of metal centres by both water and cyanurate also increases in this series. The Mg complex contains hexaaqua-coordinated cations, uncoordinated CY− anions, and additional water molecules. Ca and Sr complexes feature polymeric chains of coordinated metal ions, the Ca complex with uncoordinated anions and the Sr complex with all potential ligands coordinated. The Ba complex has a two-dimensional coordination network. Extensive hydrogen bonding plays a key role in generating a three-dimensional network in all four structures. The competition between cyanurate and water for coordination to the alkaline earth metal cations, and that between coordination and hydrogen bonding propensities of the cyanurate anion, appear to be finely balanced, with the structural outcomes depending on the relative sizes and degrees of hardness of the four cations of the group.

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

Melting, solidification and viscosity properties of a multicomponent Fe-Cu-Nb-Mo-Si-B alloys with low aluminum addition up to 0.42 at.% Al were studied using an oscillating cup viscometer. It is shown that melting and solidification are divided into two stages with a knee point at 1461 K. The temperature dependences of the liquid fraction between the liquidus and solidus temperatures during melting and solidification are calculated. It has been proven that aluminum accelerates the processes of melting and solidification and leads to an increase in liquidus and solidus temperatures. In the liquid state at temperatures above 1700 K in an alloy with a low aluminum content, the activation energy of viscous flow increases. This growth was associated with the liquid – liquid structure transition caused by the formation of large clusters based on the metastable Fe23B6 phase. Aluminum atoms attract iron and boron atoms and contribute to the formation of clusters based on the Fe2AlB2 phase and metastable phases of a higher order.

The expedited development of drugs targeting gene products associated with insulin resistance holds the potential to enhance our comprehension of type 2 diabetes mellitus (T2DM). The virtual screening based on a three-dimensional (3D) protein structure has been expected as potential technique to accelerate a development of molecular target drugs. Among the targets implicated in insulin resistance, genetic characterization and protein function of Grb14 have been clarified without contradiction. The Grb14 gene displays notable variations in T2DM, and its gene product known to inhibit the function of the insulin receptor (IR) by directly binding to the tyrosine kinase domain. In the present study, a virtual screening, based on 3D structure of IR tyrosine kinase domain (IRβ) in complex with part of Grb14, was conducted to find compounds that can disrupt the complex formation between Grb14 and IRβ. First, ten compounds were selected from 154,118 compounds via hierarchical in silico structure-based drug screening, composed of grid docking-based and genetic algorithm-based programs. The experimental validations suggested that the one compound can affect blood glucose level. The molecular dynamics simulations and co-immunoprecipitation analysis showed that the compound did not completely suppress the protein–protein interaction between Grb14 and IR, though competitively bound to IR with the tyrosine kinase pseudosubstrate region in Grb14.

Public funding of land consolidation projects is an instrument of the Common Agricultural Policy of the European Union (CAP). The execution of systematic land consolidation programmes focused on optimising the spatial structure of agricultural areas presents a possibility to improve agricultural production conditions and maximise the efficiency of agriculture on a local, regional, national and international level. However, due to limited access to financial resources, it is necessary to delimit the priority areas for land consolidation. A contemporary practice based on the assessment of the social support percentage of potential land consolidation projects in individual villages does not represent a real necessity for action. This problem leads to ineffective utilisation of financial resources and reduces the efficiency of the implemented programmes. We proposed a new algorithm for assessing real needs for land consolidation based on a detailed multi-faceted analysis of the spatial structure of agricultural areas. The research method involved factors describing the spatial structure defectiveness of farms as well as those determining land quality in correspondence to investment’s profitability. Another factor verifying the potential economic rationale of land consolidation was transaction prices mostly reflecting the agricultural value of the land. The analysis showed that land consolidation in areas with defective spatial structure and a relatively high market value should be a priority. This approach will contribute to maximising profits by increasing the productivity of areas featuring the highest agricultural suitability.

A mathematical model that comprehensively captures the real behavior of riverbed deformation, encompassing all pertinent effects, is developed. The underwater slope reformation process, with the generatrix aligned along the flow velocity in the model, is considered. A numerical model is introduced to calculate the flow involving a deformable bottom, and the model's validation is established through rigorous analysis of experimental findings. The research firmly confirms the suitability of the proposed mathematical and numerical model for describing deformations in uneven and unsteady river flows, including the movement of dredging slots and channel quarries. The model's minimal equation count and reliance on empirical constants demonstrate the model's efficiency. The model's predictions align strongly with experimental data, although optimal values of empirical coefficients vary slightly across different experiments. Hence, there is a call for further investigation to derive more universally applicable closure relationships for the model. The importance of validating the model with reliable field data and its potential extension to accommodate hydraulically diverse soils is emphasized. Such an extension is feasible due to the concentration transfer equation, enabling independent calculations for particle fractions of varying sizes as long as the total particle concentration in the stream remains within reasonable limits. This dedicated research contributes significantly to understanding riverbed deformations and advancing accurate modeling and management of riverine environments.

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

In the research we consider a structure-fluid interaction of oscillating piezodevice and acoustic liquid. Such problem requires finding resonance or anti-resonance frequencies of the solid structure to use them in the latter frequency-response analyses step. After finite element discretization of the issue, we need to solve a generalized eigenvalue problem (GEP). The most efficient numerical method for solving the partial GEP is the shift-and-invert Lanczos method. Each step of this algorithm requires solving a large scale system of linear algebraic equations (SLAEs) with special properties. Various ways of ordering grid nodes lead to coefficient matrices with different structure. Several methods are compared in terms of efficiency. The results of the numerical experiments are presented.

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

As the general acceptance of fiber-reinforced polymer (FRP) in the concrete construction industry continues to rise, it is increasingly imperative that the crack width of FRP reinforced concrete members of pavement and girder be predicted with good accuracy due to strengthening of RC pavement, slabs or beams structures using FRP is known to control crack width. However, no specific provisions are provided by most international design codes for predicting crack width in FRP reinforced concrete flexure members. In this paper, five formulas for predicting the crack width for FRP reinforced structures are derived from three common computational theories which including statistical method, comprehensive theory, and bond-slip theory. The formula of statistical method is simplest, but the parameters depend on much sample data. The comprehensive and slippage theory based on semi-empirical statistical crack spacing are obtained through the calculation of non-uniformity coefficient of strain. The comprehensive and slippage theory based on semi-empirical axial force balance are obtained through the calculation of tensile reinforcement factor. The comparative analysis of performance of five formulas is carried out. The results indicate that the formula from comprehensive theory based on semi-empirical statistical crack spacing is recommended for predicting the crack width of FRP reinforced concrete flexural structure.

The transferability of structure-property relationships for laser-pretreated metal adhesive joints to laser-pretreated metal – carbon fiber reinforced plastic (CFRP) bonds is investigated. Single-lap shear tests were performed on hybrid AW 6082-T6 – CFRP specimens pretreated with the same pulsed laser surface parameter sets on the metal surface as previously tested AW 6082-T6 – E320 metal adhesive joints. The fracture surfaces were characterized to determine the type of failure and elucidate differences and commonalities in the link between surface structures and single-lap shear strengths. Digital image analyses of the hybrid specimens fractured surfaces were used to quantify remaining CFRP fragments on the metallic joint side. The results indicate that high surface enlargements and the presence of undercut structures leads to single-lap shear strengths exceeding 40 MPa and 35 MPa for unaged and aged hybrid specimens respectively. While for the metal-polymer joints the trend from high strength to weakly bonded specimens was largely continuous with the degree of surface structuring, hybrid metal – CFRP joints exhibit a drastic drop in joint performance after aging if the laser-generated surface structures are less pronounced with low surface enlargements and crater depths. Surface features and hydrothermal aging determine whether the specimens fail cohesively or adhesively.

Graphene is a two-dimensional carbon atom with a hexagonal honeycomb-like structure in which the sp2 hybridization occurs. GO sheets are highly oxidized and have oxygen-containing groups. Properties of electronics, mechanicals, magnetics, and optics, Oxidized Methods for Brodies, Staudenmaier, Hofmann, Hummers, Improved Hummers, and Tour's Methods Reduction of Graphene oxide methods Chemical Reduction using sodium borohydride, 2,4-dinitrophenylhydrazine, Hydrazine hydrate, Thermal Reduction, Hydrothermal Reduction, Exfoliation Reduction, Catalytic Reduction, and the green synthesis route for reduction, The reduction of graphene oxide has a wide range of applications, including its use in energy storage devices for Solar cells, Supercapacitors, LIG-based sensors, River Water sensors, Battery, hydrovoltaic generators, OLED Screen, and Graphene Shielding. This review will determine the future of a few applications.

A full potential all-electron density functional method within generalized gradient approximation is used to investigate the electronic, elastic and transport properties of cubic copper sulphide and copper selenide. The electronic structure suggests metallic behavior with a zero energy band gap for both materials. Elastic property calculations suggest a stiff material with the bulk to shear modulus ratio of 0.35 and 0.44 for Cu2S and Cu2Se respectively. The transport properties were estimated using the Boltzmann transport approach. Seebeck coefficient, electrical conductivity, thermal conductivity, and power factor all suggest a potential p-type conductivity for Cu2S and n-type conductivity for Cu2Se.

SiOx films, frequently derived from amino silane precursors, have found several applications with high added value. Although frequently used, the deposition of coatings from Tris(dimethyl amino)silane (TDMAS) has been reported to demand considerable amounts of energy, mainly due to the difficulty of oxidizing such compound. As it is well known, Plasma-enhanced atomic layer deposition (PEALD) is able to improve the oxidation efficiency even under low process temperatures. Owing to that, PEALD can be considered as a very promising technique for the deposition of SiOx coatings. In this work, it has been investigated the deposition of silicon oxide films using TDMAS at 150°C. It has been evaluated the effect of the plasma oxidation time (6 to 18 s) and of the atmosphere composition (pure O2 or O2+Ar) on the chemical structure, elemental composition and chemical bonding state of the films. Increasing the plasma oxidation time in pure O2 resulted in larger proportion of retained C (Si-CH3) whereas N was preserved in the structure (Si-N). on the other hand, the formation of SiOx films from TDMAS is favored in shorter oxidation times in O2 + Ar plasmas.

This research delves into the impact of complex low-speed wake flow structures on the aerodynamic characteristics of objects downstream. It employs the proper orthogonal decomposition (POD) method and the domain precursor simulation method to compare traditional methods and validate this approach. The study generates several flow structures of parallel dual-cylinder wakes with different scales and spacing. The variations in the aerodynamic coefficient of three downstream objects at various times passing through wakes of varying scales are appropriately compared and analyzed. The study establishes that the wake with a cylinder spacing of G=1.5 has a more compact and concentrated modal structure than that with a cylinder spacing of G=0.35. Smaller objects are more responsive to the wake flow structure with a spacing of G=1.5, whereas larger objects respond more to the flow structure with a spacing of G=0.35. The achieved results also reveal that the aerodynamic force coefficients of objects passing through the wakefield at different times are closely related to the temporal characteristics of the wake flow structure with different scales.

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

Using the World Bank Global Findex Database for 91 countries in 2014, 2017, and 2021, we examine whether fintech levels influence bank performance and whether fintech’s interaction with GDP per capita causes differential effects on bank performance globally. Since fintech levels were already very high for rich countries when the World Bank started providing fintech development statistics in 2014, we estimate AbFintech by regressing fintech levels on GDP per capita by year. AbFintech is the difference between the fintech level and its fitted values. Then, using multiple regression analyses, we investigate the impact of AbFintech on bank performance worldwide, focusing on the differential effects of AbFintech and GDP levels on bank performance. We find AbFintech significantly increases bank performance, primarily in less developed countries. Specifically, AbFintech increases banks’ ROA in the least developed countries and net interest margin in the 75th percentile countries. Also, AbFintech decreases the cost-to-income ratio in the 75th percentile countries, while it increases the ratio in the most developed countries. AbFintech does not affect the ratio of noninterest income to total income, regardless of the level of economic development.

Species diversity has been shown to be influenced by environmental factors, but the mechanism underlying their relationship remains unclear across spatial scales. Based on field investigation data collected from 3,077 sample plots in temperate forest ecosystems, we compared tree species richness, evenness and dominance at 10 km × 10 km, 30 km × 30 km and 90 km × 90 km spatial scales. Then, we detected the scale dependence of changes in tree species composition on climate, topography and forest structure using variation partitioning and quantified their contribution to tree diversity with gradient boosted models (GBMs) and fitted their relationships. The magnitude of tree richness, evenness and dominance significantly increased with spatial scale. Ecological factors jointly accounted for 24.3%, 26.5% and 38.5% of the variation in tree species composition at the three spatial scales, respectively. Annual mean temperature had a strong impact on tree richness, evenness and dominance and peaked at an intermediate scale. Tree evenness and dominance increased with the variation of temperature but had upper and lower limits. Tree richness obviously increased with annual precipitation on multiple scales and decreased with annual sunshine duration at large spatial scale. Tree richness, evenness and dominance obviously increased with the variation elevation and diameter at breast height at large scales and small scales, respectively. Tree dominance decreased with tree height in a hump at small scale. The dependence of tree diversity on ecological factors increased with spatial scales. Furthermore, different factors exert various controls on tree diversity at different spatial scales, representing a comprehensive mechanism regulating tree diversity.

The crystal structure of quintinite, Mg4Al2(OH)12(CO3)·3H2O, from Jacupiranga alkaline complex (Cajati, São Paulo, Brazil) has been refined for two samples (91002 and C7029) using single-crystal X-ray diffraction data. The mineral crystallizes in the P-3c1 space group, a = 5.246/5.298, c = 15.110/15.199 Å for the samples 91002/C7029. The crystal structure consists of octahedral sheets with Mg and Al ordering according to the 3 × 3 superstructure. The Mg and Al atoms are coordinated by six hydroxylated oxygen atoms each with the average <Mg–O> and <Al–O> bond distances being in the ranges 2.022–2.053 Å and 1.974–1.978 Å, respectively. The interlayer structures are identical (in contradiction to the previous assumptions) and compose from disordered (CO3)2- groups and (H2O)0 molecules. The samples from Jacupiranga can be identified as quintinite-2T that is the second find of the polytype after the Kovdor alkaline complex (Kola peninsula, Russia). The powder X-ray diffraction pattern of quintinite-2T contains weak superstructure reflection at 4.57 Å (010) indicative of Mg and Al ordering. An important crystal-chemical criterion of quintinite is the interlayer distance (d00n-value) of ~ 7.56 Å, which is steady for natural specimens from various findings worldwide.

Abstract: Arranged patterns obtained by ultrafast laser processing on the surface of Ti/Cu/Ti/Si and Ti/Zr/Ti/Si thin film systems are reported. Two differently designed multilayer thin films, Ti/Cu/Ti/Si and Ti/Zr/Ti/Si, were deposited on silicon by the ion sputtering method. The bioactive surfaces on these systems involve the formation of laser-induced periodic surface structures (LIPSS) in each of the laser-written lines of mesh patterns on 5x5 mm areas. The formation of nano- and micro-patterns with an ultra-thin oxide film on the surfaces was used to observe the effects of morphology and proliferation of the MRC-5 cell culture line. To determine whether Ti-based thin films have a toxic effect on living cells, an MTT assay was performed. The relative cytotoxic effect as a percentage of surviving cells showed that there was no difference in cell number between the Ti-based thin films and the control cells. There was also no difference in the viability of the MRC-5 cells, except for the Ti/Cu/Ti/Si system, where there was a slight 10% decrease in cell viability.

Different inlet structures have a significant impact on the internal flow characteristics of a solid-magnesium powder water ramjet engine. Based on the magnesium-water reaction model, a computational fluid dynamics (CFD) method is applied to establish a numerical simulation method for the internal flow field of the engine, and the internal flow characteristics of the engine under different inlet structure conditions are studied. The simulation results show that high-temperature gas can effectively promote the ignition of magnesium powder at the top of the combustion chamber, while accelerating the evaporation of the first inlet water and increasing the combustion rate of magnesium powder. The secondary inlet has the most significant effect on the temperature inside the combustion chamber. When the secondary inlet flow rate increases towards the top of the combustion chamber, it increases the amount of heat absorbed by the evaporating water at the top of the chamber, thereby reducing the temperature at the top of the combustion chamber. However, when the flow rate is low, it results in insufficient oxidizer at the top of the combustion chamber, which is unfavorable for the combustion of magnesium powder.

Most developing countries with petroleum resources are constrained in the ability to refine their oil and gas resources. This virtually results in the involvement of the International Oil Company (IOC) by the National Oil Company (NOC) of a particular nation to enter into an agreement to achieve the production of oil based on an agreed framework. However, in cur-rent development, there is little focus on the contractual agreement, particularly on the pro-duction sharing agreement by the IOC in the exploration of petroleum resources of developing countries. The primary objective of this paper is to critically explore the contract structure of production sharing agreement by the IOC in the exploration and development of petroleum resources in developing countries. Content analysis was used as the methodology of the study after examining several literatures. The findings indicate that the contract structure of the production sharing agreement (PSA) between NOC and IOC plays a significant role in the cost and risk of exploration and development of oil. In addition, it is noted that the joint committee of the NOC and IOC plays a paramount role in monitoring the operations of PSA between the NOC and IOC. Hence, from the gross oil production, the NOC gets its share as profit while IOC gets its share income tax. As an instrument of contract structure in the oil and gas sector, PSA needs further entrenchment between IOC and NOC to avoid likely issues that can emanate between the two parties in the face of current developments.

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

The bimodal grain-size distribution 0.9KNbO₃-0.1BaTiO₃ ceramics, with a typical perovskite structure in tetragonal phase at room temperature, were successfully prepared by an induced abnormal grain growth (IAGG) method at a relatively low sintering temperature. In this bimodal grain-sized distribution structure, the extra-large grains (about 10‒50 μm) were evolved from the micron-sized filler powders and the fine grains (about 0.05‒0.35 μm) were derived from the sol precursor matrix. The 0.9KNbO₃-0.1BaTiO₃ ceramics exhibit relaxor-like behavior with the diffused phase transition near room temperature, and confirmed by the existence of the polar nanodomain regions (PNRs) using the HRTEM images. The large room-temperature electrocaloric (EC) effect was found, characterized by an adiabatic temperature drop of 1.5 K, an isothermal entropy change of 2.48 J kg^-1 K^-1, and high EC strengths of ïDT/DEï = 1.50×10^-6 KmV^-1 and DS/DE = 2.48×10^-6 Jmkg^-1K^-1V^-1directly measured under E = 1.0 MV/m. These excellent ECEs demonstrate that this simple IAGG method is highly appreciated for synthesizing high-performance EC materials for efficient cooling devices.

In this paper a new monolithic Eulerian formulation in the framework of non-classical continuum is presented for the analysis of fluid-strucutre interaction problems. In this respect, Cosserat continuum theory taking into account the micro-rotational degrees of freedom of the particles is considered. Continuum description of the model and variational formulation of the governing flow dynamics for non-classical -fluid-structure interaction nCFSI is presented. The model is analyzed by computing a well known benchmark problem by Hecht and Pironneau [16]. The algorithmic description is presented and implemented using FreeFEM++. Code is validated with the benchmark solution of Turek and Hron [38] in case of flow around a flag attached with cylinder. New microstructral behavior of the solution is studied and numerical simulations and results are shown in the form of figures. Some interesting feature of the flow is observed and microstructural characteristics are discussed.

This study aims to evaluate the land surface temperature (LST) and the thermal characteristics of the Urban Canopy Layer (UCL) of the urban canyon in Avenida Rio Branco in the Central Business District (CBD) of Rio de Janeiro during summer. In order to conduct this evaluation, two methods were employed: 1) TIRS Landsat-8 sensor for data selection and processing (latest generation, 2011-2020); ; 2) field survey using nine sampling points — seven along two mobile transects, one fixed point, and one vertical measurement point, which required the use of a RPA (Remotely Piloted Aircraft). Three categories of analysis were established for the field survey based on the prevailing synoptic situations: stability, instability, and post-instability. The CBD is characterized by extensive areas with surface heat islands, in which temperatures were higher than 38.9°C; the areas with milder LSTs were Campo do Santana, Avenida Rio Branco, and one of the Mixed-Use Zones (Praça Mauá). With respect to Rio Branco Avenue, the LST niches of lowest elevation were derived through building shadowing; however, the orbital data diverged from the observation data of the ten field-study days. In situ data revealed that the characteristics urban morphology of Avenida Rio Branco is susceptible to the formation of heat islands, presenting heat islands of very strong magnitude (over 6.1°C) in atmospheric stability, strong magnitude (4.1-6.0°C) in atmospheric instability, and moderate magnitude (2.1°C-4.0°C) in post-atmospheric instability. Despite the synoptic situation, thermal cores were concentrated at 1 pm. The intersection between Avenida Rio Branco, Rua do Ouvidor, and Praça Mauá stored most of the solar energy received during the day due to the greater sky obstruction caused by the verticalization. Finally, vertical analysis demonstrated the formation of a thermal inversion on the night of the highest mean air temperature (29.5°C), probably, due to the roughness and number of buildings in the urban canyon.

A new method is proposed to increase rejection in microfiltration by applying membrane oscillation using a new type of microfiltration membranes with slotted pores. The oscillations applied to the membrane surface result in reducing membrane fouling and increasing separation efficiency. An exact mathematical solution of the flow in the surrounding solution outside the oscillating membrane is developed. The oscillation results in appearance of the lift velocity, which moves oil particles away from the membrane. The latter results in both reducing membrane fouling and increasing oil droplets rejection. This developed model was supported by the experimental results for oil water separation in produced water treatment. It was proven that oil droplet concentration reduced notably in the permeate due to the membrane oscillation and that applied shear rate caused by the membrane oscillation is also reduce pore blockage. New generation of microfiltration membranes with slotted pores was used in the experiments.

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

There must exist a reformulation of quantum field theory which does not refer to classical time. We propose a pre-quantum, pre-spacetime theory, which is a matrix-valued Lagrangian dynamics for gravity, Yang-Mills fields, and fermions. The definition of spin in this theory leads us to an eight dimensional octonionic space-time. The algebra of the octonions reveals the standard model; model parameters are determined by roots of the cubic characteristic equation of the exceptional Jordan algebra. We derive the asymptotic low energy value 1/137 of the fine structure constant, and predict the existence of universally interacting spin one Lorentz bosons, which replace the hypothesised graviton. Gravity is not to be quantized, but is an emergent four-dimensional classical phenomenon, precipitated by the spontaneous localisation of highly entangled fermions.

The paper presents the results of a study of the concept of address fiber Bragg structures in the problem of vibration control. The mathematical model of measuring transformation is presented; the experimental study of a vibration diagnostics system based on Address Fiber Bragg Gratings is carried out; the quantitative and qualitative comparative assessment with electronic accelerometers is made; the gain by an order of magnitude in some parameters is shown.

New pharmaceutically acceptable salts of trazodone for the treatment of central nervous system disorders are synthesized and described. Each salt (trazodone hydrogen bromide and trazodone 1-hydroxy-2-naphthoate) was obtained by two or three different methods leading to the same crystalline form. Although trazodone salts are poorly crystalline, single-crystal X-ray diffraction data for trazodone 1-hydroxy-2-naphthoate were collected and analyzed as well as compared to the previously described crystal structure of commercially available trazodone hydrochloride. The powder samples of all new salts were characterized by Fourier transform infrared spectroscopy and 13C solid-state nuclear magnetic resonance spectroscopy. Spectroscopic studies were supported by gauge including projector augmented wave (GIPAW) calculations of carbon chemical shielding constants. The main goal of our research was to find salts with better physicochemical properties and to make an attempt to associate them with both the anion structure and the most prominent interactions exhibited by the protonated trazodone cation. The dissolution profiles of trazodone from tablets prepared from various salts with lactose monohydrate were investigated. The studies revealed that salts with simple anions show a fast release of the drug while the presence of more complex anion, more strongly interacting with the cation, effects a slow-release profile of the active substance and can be used for the preparation of the tables with a delay or prolonged mode of action.

Streptococcus mutans is well known for having virulence factors associated with its cariogenic role, such as glucosyltransferases, which have been used as targets for the virtual screening of molecules with inhibitory capacity. The Antigen I/II of S. mutans is involved in the adhesion to the surface of the tooth and the bacterial co-aggregation in the biofilm formation, despite that, this protein has not been used as a target in a virtual strategy search for inhibitors. In this study we identified in silico and evaluated in vitro molecules with adhesion inhibitory potential on S. mutans Ag I/II. A virtual screening of 883,551 molecules was conducted, cytotoxicity analysis on fibroblast cells, S. mutans adhesion studies, scanning electron microscopy analysis for bacterial integrity, and molecular dynamics simulation were also performed. We have found three molecules (ZI-187, ZI-939, ZI-906) that were not cytotoxic and inhibited the adhesion of S. mutans to polystyrene microplates. Molecular dynamic simulation by 300 nanoseconds showed stability of the interaction between ZI-187 and Ag I/II (PDB: 3IPK). This work provides three new molecules that targets Ag I/II and have the capacity to inhibit in vitro the S. mutans adhesion on polystyrene microplates and provides a new computational line for the search and selection of safe inhibitory molecules against different pathogens.

Silty clay modified by fly ash and crumb rubber is a kind of sustainable subgrade filler which has good anti-freeze-thaw resistance stability but wake vibration isolation performance. The objective of this study was to improve the vibration isolation of the modified soil and investigate the vibration isolation effect of the composite subgrade structure of XPS plates and the modified soil by indoor impact test. First, the vibration isolation performance of silty clay, modified soil and composite subgrade structure was respectively evaluated. Second, the effect of XPS plate’s thickness and vibration intensity on the vibration performance of the composite subgrade structure were evaluated. Third, the vibration isolation performance of the test groups under the condition of freeze-thaw cycles was assessed. The results show that the vibration isolation performance of subgrade can be effectively improved by setting XPS plates. The composite subgrade structure has certain vibration isolation effect, especially in vertical direction. Considering vibration isolation performance and costs, 5cm is the optimum XPS plates thickness. The composite subgrade structure has great vibration isolation performance under the condition of freeze-thaw cycles, so it is suitable to be applied in road subgrade in seasonal frozen regions.

The issue of actualization of labor interests as a motivational driver and one of the sources of labor productivity is little-studied in applied and organizational psychology. The study given in the paper fills some “blanks” of this problem. The leading approach to research is the motivational system proposed on the basis of theoretical analysis and the developed psychological model of labor interests. Using the methods of a special survey, questioning and interview guides, the analysis and comparative assessment of the labor interests of 50 candidates for the service manager position (entertainment and restaurant industry field) was conducted; as well as of 45 employees in this industry aged 18 to 25. The main results of the paper show the connection of labor interests with the company's personnel management system, namely with the processes of selection, adaptation, and training. It was revealed that the candidates selected for the service manager position were of primary group interest and financial incentive was secondary. At the same time, financial incentive contributed to the successful passage of the adaptation period. Occupational interests of employees depended on their education and job specifics. Career interests were influenced by the time spent with the company. The recommendations necessary for employers to create the conditions corresponding to the leading labor interests of employees were substantiated.

Automatic methods for constructing navigation routes do not fully meet all requirements. The aim of this study was to modify the methodology for generating indoor navigation models based on the Medial Axis Transformation (MAT) algorithm. The simplified method for generating corridor axes relies on the Node-Relation Structure (NRS) methodology. The axis of the modeled structure (corridor) is determined based the points of the middle lines intersecting the structure (polygon). The proposed solution involves a modified approach to the segmentation of corridor space. Traditional approaches rely on algorithms to construct Triangulated Irregular Networks (TINs) by Delaunay triangulation or algorithms for generating Thiessen polygons known as Voronoi diagrams (VDs). In this study, both algorithms were used in the segmentation process. The edges of TINs intersect structures. Selected midpoints on TIN edges, which are located in the central part of the structure, are used to generate VDs. Polygon VDs segment corridor structures. The identifiers or structure nodes are the midpoints on TIN edges rather than the calculated centroids. The generated routes are not zigzag lines, and they approximate natural paths. The main advantage of the proposed solution is its simplicity which can be attributed to the use of standard tools for processing spatial data in a geographic information system.

This work reports the role of structure and composition on the determination of the performances of p-type SnOx TFTs deposited by rf magnetron sputtering at room temperature, followed by a post-annealed step up to 200 °C at different oxygen partial pressures (Opp), between 0% and 20%, but where the p-type conduction was only observed between 2.8–3.8%. The role of structure and composition were evaluated by XRD and Mössbauer spectroscopic studies. The study allows to identify the best phases/compositions and thicknesses (around 12 nm) to be used that lead to the production of TFTs with a bottom gate configuration, on glasses coated with conductive Indium Tin Oxide, followed by Aluminium Titanium Oxide dielectric layer with saturation mobility of 4.6 cm²V⁻¹s⁻¹ and on-off ratio above 7 × 10⁴, operating at the enhancement mode with a saturation voltage of −10 V.

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

This study characterizes the microstructure and its associated crystallographic features of bulk maraging steels fabricated by selective laser melting (SLM) combined with a powder bed technique. The fabricated sample exhibited characteristic melt pools in which the regions had locally melted and rapidly solidified. A major part of these melt pools corresponded with the ferrite (alpha) matrix, which exhibited a lath martensite structure with a high density of dislocations. A number of fine retained austenite (gamma) with a <001> orientation along the build direction was often localized around the melt pool boundaries. The orientation relationship of these fine gamma grains with respect to the adjacent alpha grains in the martensite structure was (111) gamma // (011) alpha and [-101] gamma // [-1-11] apha (Kurdjumov–Sachs orientation relationship). Using the obtained results, we inferred the microstructure development of maraging steels during the SLM process. The results depict that new and diverse high-strength materials can be used to develop industrial molds and dies.

In this paper a perspective on the application of spatially- and Angle- Resolved PhotoEmission Spectroscopy (ARPES) for the study of two-dimensional (2D) materials is presented. ARPES allows the direct measurement of the electronic band structure of materials generating extremely useful insights into their electronic properties. The possibility to apply this technique to 2D materials is of paramount importance because these ultrathin layers are considered fundamental for future electronic, photonic and spintronic devices. In this review an overview of the technical aspects of spatially localized ARPES is given along with a description of the most advanced setups for laboratory and synchrotron-based equipment. This technique is sensitive to the lateral dimensions of the sample, therefore a discussion on the preparation methods of 2D material is presented. Some of the most interesting results obtained by ARPES are reported in three sections including: graphene, transition metal dichalcogenides (TMDCs) and 2D heterostructures. Graphene has played a key role in ARPES studies because it inspired the use of this technique with other 2D materials. TMDCs are presented for their peculiar transport, optical and spin properties. Finally, the section featuring heterostructures highlights a future direction for research into 2D material structures.

This compendium presents new mathematical techniques for modeling Point Absorbers. A combined frequency-time domain framework is developed. It is used to simulate the energy generated by the wave farms. With Matlab and Fortran as a base, this leads to obtain physical variables of primary importance, namely position, velocity and power to energy net balance relationships of absorption. Integration of different degrees of freedom with heave as main executable leads in turn to a single buoy motion focus. Acquisition of the needed hydrodynamic coefficients is provided through application of potential field solvers with Boundary Element Methodology background. Initially, this Wave-to-motion model is validated by comparison with previous experimental results for a floating cone cylinder shape (Buldra-FO3). A single, generic, vertical floating cylinder is contemplated then, that responds to the action of the passing regular waves excitation. Later, two equally sized vertical floating cylinders aligned with the incident wave direction are modeled for a variable distance between the bodies. For both unidirectional regular and irregular waves as an input in deep water, we approximate the convolutive radiation force function term through the Prony method. By changing the spatial disposition of the axisymmetric buoys, using for instance triangular or rectangular shaped arrays of three and four bodies respectively, the study delves into motion characteristics for regular waves. The results highlight efficient layouts for maximizing the energy production whilst providing important insights into their performance, revealing displacement amplification- and capture width-ratios, while deriving in possible interpretations of scenarios related to the known park effect. These terms are encompassed by the novelty of a new conceptual Post-Processing methodology in the field, which leads to obtain an optimal distance for the separated bodies with effective energy absorption in a regular wave regime. The main objective is to generate a tendency within the hydrodynamic field of study, which is the Wave to motion perspective. More generally, this computational excursion envisions and depicts potential fields of study, which will surely enhance new connections and link this renewable energy form. Therefore, this research delves first into the historical and technical background on Ocean Wave Energy. Next, it is in the section regarding Materials and Methods, where boundaries and related equations are introduced step by step, together with latter mentioned case scenarios, and their corresponding configuration parameters. A separate section frames then the scope of results, while finally, there is an ensuing discussion and conclusions for evaluation assessment.

This thesis completion works it out to deepen into diverse modeling techniques for Point Absorbers. A combined frequency-time domain model is conceived, designed and developed in Matlab with Fortran as a base, leading to obtain physical variables of primary importance, namely position, velocity and power to energy net balance relationships of absorption. Integration of different degrees of freedom with heave as main executable leads in turn to a single buoy motion focus. Acquisition of the needed hydrodynamic coefficients is provided through application of NEMOH \& BEMIO solvers due to the Boundary Element Methodology. Initially, this Wave-to-motion model is validated by comparison with previous experimental results for a floating cone cylinder shape (Buldra-FO3). A single, generic, vertical floating cylinder is contemplated then, that responds to the action of the passing regular waves excitation. Later, two equally sized vertical floating cylinders aligned with the incident wave direction are modeled for a variable distance between the bodies. For both unidirectional regular and irregular waves as an input in deep water, we approximate the convolutive radiation force function term through the Prony method. By changing the spatial disposition of the axisymmetric buoys, using for instance triangular or rectangular shaped arrays of three and four bodies respectively, the study delves into motion characteristics for regular waves. The results highlight efficient layouts for maximizing the energy production whilst providing important insights into their performance, revealing displacement amplification- and capture width-ratios, while deriving in possible interpretations of scenarios related to the the known park effect. These terms are encompassed by the novelty of a new conceptual Post-Processing methodology in the field, which leads to obtain an optimal distance for the separated bodies with effective energy absorption in a regular wave regime. In conclusion, this computational excursion envisions and proposes potential fields of study, which will surely enhance new connections and link this renewable energy form.

This thesis completion works it out to deepen into diverse modeling techniques for Point Absorbers. A combined frequency-time domain model is conceived, designed and developed in Matlab with FoRtran as a base., leading to obtain physical variables of primary importance, namely position, velocity and power to Energy net balance relationships of absorption. Integration of different degrees of freedom with heave as main executable leads in turn to a single buoy motion focus. Acquisition of the needed hydrodynamic coefficients is provided though application of NEMOH & BEMIO solvers due to the Boundary Element Methodology. Initially, this Wave-to-motion model is validated through comparison with previous experimental results for a floating cone cylinder shape (Buldra-FO3). A single, generic, vertical floating cylinder is contemplated then, that responds to the action of the passing regular waves excitation. Later, two equally sized vertical floating cylinders aligned with the incident wave direction are modeled for a variable distance between the bodies. For both unidirectional regular and irregular waves as an input in deep water, we approximate the convolutive radiation force function term through the Prony method. By changing the spatial disposition of the axisymmetric buoys, using for instance triangular or rectangular shaped arrays of three and four bodies respectively, the study delves into motion characteristics for regular waves. The results highlight efficient layouts for maximizing the energy production whilst providing important insights into their performance, revealing displacement amplification- and capture width-ratios, while deriving in possible interpretations of scenarios related to the the known park effect. These terms are encompassed by the novelty of a new conceptual Post-Processing methodology in the field, which leads to obtain an optimal distance for the separated bodies with effective energy absorption in a regular wave regime. In conclusion, this computational excursion envisions and proposes potentials fields of study, which will surely enhance new connections and link this renewable energy form.

Prompt removal of misfolded membrane proteins and misassembled membrane protein complexes is essential for membrane homeostasis. However, the elimination of these toxic proteins from the hydrophobic membrane environment has high energetic barriers. Transmembrane FtsH is the only known ATP-dependent protease responsible for this task, unlike other well-studied soluble ATP-dependent proteases. The mechanisms by which FtsH recognizes, unfolds, translocates, and proteolyzes its substrates remain unclear. Here, we report the crystal structures of the Thermotoga maritima FtsH periplasmic domain (PD) in an associative trimeric state at a 1.5-1.95 Å resolution. We also describe the pH-dependent oligomerization states of the isolated PD using dynamic light scattering. These observations help us understand how FtsH recognizes membrane-anchored misfolded proteins.

The aim of this work is to compare two softwares (MAUD and TOPAS) based on the Rietveld algorithm and to test the concept of tolerance factor using the dissolution at high temperature of yttrium into BaTiO₃. In general, both softwares give up different values of the crystalline parameters however the trends are similar in most cases but the analysis of the strain and crystallite size in the BaTiO₃ crystals suggests that, in this particular case, MAUD offered results more consistent with the expected behavior. Using the crystalline parameters calculated by Rietveld, the tolerance factor values were obtained and these data suggest even better stability in the crystalline structure than that expected using theoretical parameters. Tolerance factor concept also indicates that Ti⁴⁺ should be preferred.

Over recent years, nanocarriers have played an ever-increasing role in clinical and biomedical applications owing to their unique physicochemical properties and surface functionalities. Lately, much effort has been directed towards the development of smart, stimuli-responsive nanocarriers that are capable of releasing their cargos in response to specific stimulus. These intelligent-responsive nanocarriers can be further surface-functionalized so as to achieve active tumor targeting in a sequential manner, which can be simply modulated by the stimuli. By applying this methodological approach, these intelligent-responsive nanocarriers can be directed to different target-specific organs, tissues or cells, and exhibit on-demand controlled drug release that may enhance therapeutic effectiveness and reduce systemic toxicity. Light, an external stimulus, is one of the most promising triggers for use in nanomedicine to stimulate on-demand drug release from nanocarriers. Light-triggered drug release can be achieved by light irradiation at different wavelengths, either in UV, visible or even NIR region, depending on the photophysical properties of the photo-responsive molecule embedded in the nanocarrier system, the structural characteristics and material composition of the nanocarrier system. In this review, we highlighted the emerging functional role of light in nanocarriers, with emphasis on light-responsive liposomes and dual-targeted stimuli-responsive liposomes. Moreover, we provided the up-to-date phototriggered targeting strategies and mechanisms of light-triggered drug release from liposomes and NIR-responsive nanocarriers. Lastly, we addressed the current challenges, advances, and future perspectives for the deployment of light-responsive liposomes in targeted drug delivery and therapy.

Compressive residual stresses in thin films can inhibit crack propagation under normal or sliding contact loading, with associated enhancement of the coating apparent toughness, load bearing capacity and wear resistance. This study investigates the influence of residual stress distributions on the thin film/substrate adhesion using a nanoindenter coupled with scanning electron microscope (SEM) investigations of indentation induced failure modes. Reactive and un-reactive magnetron sputtering with ion plating was used to coat a (100) silicon substrate with aluminum nitride (AlN) with and without an aluminum (Al) adhesion layer. The presence of an Al bond layer gives additional interfacial tensile stress because of the difference in thermal expansion coefficient. Additionally, a different magnitude of residual stresses in the AlN coating was achieved by changing the applied bias voltage onto the substrate. Wafer curvature method and incremental focused ion beam (FIB) milling, combined with high-resolution in situ scanning electron microscopy (SEM) imaging and full field strain analysis by digital image correlation (DIC), were used to measure the average and in-depth stress residual stress distribution in the produced coatings. The adhesion energy was then quantified by using a nanoindentation based model. Results demonstrate that the additional tensile residual stress in the aluminum adhesion layer decrease significantly the coating adhesion, even in presence of a higher compressive stress state in the AlN top-layer. Therefore, the coatings without Al-layer showed better adhesion because of a more homogeneous compressive residual stress in comparison with the coating having Al layer, even though both groups of coatings are produced under same bias voltage. Results are discussed, and some general suggestions are made on the correlation between coating/substrate property combination and the adhesion energy of multilayer stacks. The results suggested that Al bond-layer and inhomogeneous residual stresses affected the adhesion of AlN negatively to a substrate like silicon.

We previously reported nano-pulse treatment (NPT), a pulsed power technology, resulted in 4T1-luc mammary tumor elimination and a strong in situ vaccination, thereby completely protecting tumor-free animals against a second live tumor challenge. The mechanism whereby NPT mounts effective antitumor immune responses in the 4T1 breast cancer predominantly immunosuppressive tumor microenvironment (TME) remains unanswered. In this study, orthotopic 4T1 mouse breast tumors were treated with NPT (100 ns, 50 kV/cm, 1000 pulses, 3 Hz). Blood, spleen, draining lymph nodes and tumors were harvested at 4-hour, 8-hour, 1-, 3-, 7-day. Additional studies were conducted over 3-month posttreatment intervals for the analysis of frequencies, death and functional markers of various immune cells in addition to suppressor function of regulatory T cells (Tregs). NPT was verified to elicit strong in situ vaccination (ISV) against breast cancer and promoted both acute and long-term T cell memory. NPT abolished immunosuppressive dominance systemically and in the TME by substantially reducing Tregs, myeloid-derived suppressor cells (MDSCs), and tumor-associated macrophages (TAMs). NPT induced apoptosis in Tregs and TAMs. It also functionally diminished the Treg suppression capacity, likely explained by the downregulation of activation markers, particularly 4-1BB and TGFβ, and a phenotypic shift from predominantly activated (CD44+CD62L-) to naïve (CD44-CD62L+) Tregs. Importantly, NPT selectively induced apoptosis in activated Tregs and spared effector CD4+ and CD8+ T cells. These changes were followed by a concomitant rise in CD8+CD103+ tissue-resident memory T cells and TAM M1 polarization. These findings indicate that NPT effectively switches the TME and secondary lymphatic systems from an immunosuppressive to an immunostimulatory state allowing cytotoxic T-cell function and immune memory formation to eliminate cancer cells and account for the NPT in situ vaccination.

Distracted driving is the leading cause of accidents, the cause of these distractions may include drowsiness, using cell phone, smoking a cigarette, etc. The proposed paper aims at monitoring the attentiveness of the driver and alerting the driver when his/her alertness goes below a certain threshold. It uses image processing using OpenCV (Computer Vision) and You Look Only Once (YOLO) algorithm to detect the eyes and object respectively and sounds an alarm when the driver is either drowsy or using his cell phone or smoking a cigarette.

Half-metallic semi-Heusler compounds are currently at the forefront of scientific research due to their potential applications in spintronic devices. Unlike other semi-Heuslers, the p0(d0)-d compounds do not appear to crystallize in the typical variant of the C1b structure. We investigate this phenomenon in the p0-d Heusler compounds LiYGa and LiYGe, where Y varies between Ca and Zn, using first-principles ab-initio electronic band structure calculations. We examine the electronic and magnetic properties of these compounds in relation to the three possible C1b structures. Notably, LiVGa, LiVGe, LiMnGa, and LiCrGe are half-metallic ferromagnets across all three variations of the C1b lattice structure. Our findings will serve as a foundation for future experimental studies on these compounds.

The characteristics of tight sandstone, such as small pores, complex pore structures, low permeability, and low porosity, make it difficult to accurately characterize its pore structure. This represents a major challenge in the exploration and development of tight sandstone oil and gas reservoirs. This article conducts a simulation study on the impact of characteristic parameters such as pore size, coordination number, pore-throat ratio, and wettability on microscopic remaining oil after polymer flooding, thereby quantifying the types of remaining oil.

Pyrocumulonimbus (pyroCb) thunderclouds, produced from extreme bushfires, can initiate frequent cloud-to-ground (CG) lightning strikes containing extended continuing currents. This, in turn, can ignite new spotfires and inflict massive harm on the environment and infrastructures. This study presents a 3D numerical thundercloud model for estimating the lightning of different types and its striking zone for the conceptual tripole thundercloud structure which is theorized to elucidate the lightning phenomenon in pyroCb storms. More emphasis is given to the lower positive charge structure thundercloud to thoroughly examine various electrical parameters including the longitudinal electric field, electric potential, and surface charge density. The simulation outcomes on pyroCb thunderclouds with a tripole structure confirm the presence of negative longitudinal electric field initiation at the cloud’s lower region. This initiation is accompanied by enhancing the lower positive charge region, resulting in an overall positive electric potential increase. Consequently, negative surface charge density appears underneath the pyroCb thundercloud which has the potential to induce positive cloud-to-ground (+CG) lightning flashes. The suggested model would establish the basis for identifying the potential area impacted by lightning and could also be expanded to analyze the dangerous conditions that may arise in wind energy farms or power substations in times of severe pyroCb events.

Metal-organic frameworks (MOFs) have been subject of extensive scientific investigation in the last three decades and, currently, are one of the type of compounds most studied to be potentially applied in a wide range of distinct catalytic processes. Pristine MOF compounds provide several intriguing benefits for catalytic applications, including high interior surface areas and densities of active sites, allowing high catalytic reaction rates per volume, post-synthesis modified with com-plementary catalytic groups, enabling multiple functional groups to catalyze the reaction. Most of large-scale catalytic applications, including those in fuel processing, gas emission reduction and chemical synthesis, nevertheless the pristine MOFs often reveal limited stabilities and opportuni-ties for regeneration at high temperatures. As a result, the real applications of MOFs in these tech-nologies are likely to be constrained, and their controlled thermal modification aiming the prepa-ration of MOF-derivative compounds has been applied to induce crystalline structural changes and increase their structural stability, enhancing its potential applicability in more severe catalytic processes. Recent advances concerning the use of this strategy to boost the catalytic potential of the MOF-derivative compounds are outlined in this short-review article.

The maintenance of traditional agricultural practices in protected small islands is closely linked to the preservation of the land, the protection of natural resources, and the conservation of local traditions. For this purpose, the Tuscan Archipelago National Park promoted the census of ancient horticultural varieties preserved by some farmers on the island of Elba. The survey revealed a deep-rooted historical, cultural, social, and economic link between this germplasm and the island’s territory. A scientific characterization of the landrace under ethnobotanical, morphological, and genetic aspects was carried out. Among these local varieties, two landraces of the Brassica species and three landraces of the Phaseolus species were identified and analyzed in this study. To ascertain their distinguishability and uniqueness, similar varieties were also identified based on morpho-physiological characteristics or territorial proximity and compared with the Elban landraces. Morpho-phenological data were collected, and molecular analyses were carried out using Simple Sequence Repeats (SSR) markers. Ten different SSR loci were considered for the Phaseolus species and nine for the Brassica species. The Tuscan Archipelago landraces showed a high level of internal variability but were clearly distinct from each other and from the analyzed varieties, as shown by AMOVA (Analysis of Molecular Variance). Their distinctness was further highlighted by the UPGMA dendrogram obtained from the genetic distance matrix. The same results were confirmed by Principal Coordinate Analysis (PCoA). This study confirms the peculiarity of the Elban landraces, their biodiversity is a heritage to be safeguarded, which can also be used in future breeding programs. These ancient Elban landraces were allocated to local farmers (most were young farmers) to protect them from extinction and to promote more resilient varieties cultivation compared to commercial hybrids widely spread in the area. Local farmhouses also play a strategic role in safeguarding the germplasm and dissemination of sustainable agricultural practices. There is high demand for ancient Elban landraces, this has led to the development of a new local economy balanced between agricultural tradition and innovation.

The PAX8/PPARγ rearrangement, producing the PAX8–PPARγ fusion protein (PPFP), is thought to play an essential role in the oncogenesis of thyroid follicular tumors. To identify PPFP-targeted drug candidates and establish an early standard of care for thyroid tumors, we performed ensemble docking-based compound screening. Specifically, we investigated which pocket structure should be adopted to search for a promising ligand compound for the PPFP; the position of the ligand binding pocket on the PPARγ side of the PPFP is common to that of PPARγ; however, the shape is slightly different between them due to environmental factors. We developed a method for selecting a PPFP structure with a relevant pocket and high prediction accuracy for ligand binding. This method was validated using PPARγ, whose structure and activity values are known for many compounds. Then, we performed docking calculations to PPFP for 97 drug or drug-like compounds with a thiazolidine backbone, which is one of the characteristics of ligands that bind well to PPARγ, registered in the DrugBank database. Furthermore, the binding affinities of promising ligand candidates were estimated more reliably using the molecular mechanics-Poisson–Boltzmann surface area method. Thus, we propose promising drug candidates for the PPFP with a thiazolidine backbone.

Few studies have examined the dietary protein intake and sources in combination with the longitudinal changes in brain structure markers. Our study aimed to examine the association between dietary protein intake and different sources of dietary protein with the longitudinal rate of change in brain structural markers. A total of 2723 and 2679 participants from the UK Biobank were included in the analysis. The relative and absolute amounts of dietary protein intake were calculated through a 24-hour dietary recall questionnaire. The longitudinal change rates of brain structural biomarkers were computed using two waves of brain imaging data. We utilized multiple linear regression to examine the association between dietary protein and different sources and the longitudinal changes in brain structural biomarkers. Restrictive cubic splines were used to explore nonlinear relationships, and stratified and sensitivity analyses were conducted. Increasing the proportion of animal protein in dietary protein intake is associated with a slower reduction in the total hippocampus volume (THV, β: -0.02524, P&lt;0.05), left hippocampus volume (LHV, β: -0.02435, P&lt;0.01) and right hippocampus volume (RHV, β: -0.02544, P&lt;0.05).Higher intake of animal protein relative to plant protein is linked to a lower atrophy rate in THV (β: -0.01249, P&lt;0.05) and LHV (β: -0.01173, P&lt;0.05) and RHV (β: -0.01193, P&lt;0.05). Individuals with higher intake of seafood exhibit lower longitudinal rate of change in HV compared to those with no consume (THV, β: -0.004514; P&lt;0.05; RHV, β: -0.005527, P&lt;0.05). In subgroup and sensitivity analyses, there was not a significantly alteration. A moderate increase in the intake and proportion of animal protein in the diet, especially from seafood, is associated with a lower longitudinal change rate in hippocampus volume.

The review explores the therapeutic potential of mangrove plants as sources of bioactive compounds, particularly focusing on their anti-inflammatory properties. Mangroves, found in tropical and sub-tropical tidal coasts, exhibit unique ecological and biological activities. The review compiles and examines 136 research findings published between 1982 and 2018, with 41 studies specifically addressing the anti-inflammatory properties of mangroves in Indian coastal regions, including the Andaman and Nicobar Islands. It summarizes the chemical structures, molecular weights, formulas, solvents, and biological activities of these mangroves, as reported by various researchers over time. The data underscore the significant potential of tropical Indian mangroves in anti-inflammatory applications. However, a notable research gap exists regarding the extraction of bioactive compounds from mangrove species in the Andaman and Nicobar Islands compared to other regions such as Gujarat, Maharashtra, Goa, Karnataka, Kerala, Tamil Nadu, Andhra Pradesh, Odisha, West Bengal, and Puducherry. Overall, the compilation provides valuable insights into mangrove-based studies for drug discovery research, emphasizing the need for further exploration and exploitation of these natural resources.

. In this work, two types of nanoporous alumina membranes were prepared using different acids and were tested. Structural features of the samples were investigated by scanning electron spectroscopy and further by different types of fractal dimension estimation methods. Transmission and scattering of accelerated He+ ions were studied in experiments on ion irradiation of dielectric channels based on porous alumina. Ion accelerator was used as a source of the He+ beam with an energy of 1.7 MeV. A scattering of ions was studied by Rutherford backscattering spectrometry. Helium transition through nanoporous alumina at various angles between the normal to the sample and the beam direction were observed. It is shown that the porous structure of anodic aluminum oxide is excellent as a dielectric matrix of nanocapillaries. Owing to the small angle scattering, it allows the transportation of the accelerated charged particles through the dielectric capillaries, and, as a result, localization of high energy ion irradiation effects. Additionally, according to the transmission UV-Vis spectra the energy gaps of samples obtained were calculated.

Sub-micro dislocation cellular structures formed during rapid solidification break the strength-ductility trade-off in laser powder bed fusion (LPBF)-processed 316L stainless steel through high-density dislocations and segregated elements or precipitates at the cellular boundaries. The high-density dislocation entangled at the cellular boundary accommodates solidification strains among the cellular structures and cooling stresses through elastoplastic deformation. Columnar grains with cellular structures typically form along the direction of thermal flux. However, the ultra-low misorientations between the adjacent cellular structures and their interactions with the cellular boundary formation remain unclear. In this study, we revealed the ultra-low misorientations between the cellular structures in LPBF-processed 316L stainless steel using conventional electron backscatter diffraction (EBSD), transmission Kikuchi diffraction (TKD), and transmission electron microscopy (TEM). The conventional EBSD and TKD analysis results could provide the misorientation angles smaller than 2° while the resolution mainly depends on the specimen quality and scanning step size, and so on. TEM technique with higher spatial resolution provides accurate information between adjacent dislocation cells with misorientation angles smaller than 1°. This study presents that TEM method is the better and more precise analysis method of the misorientation measurement of the cellular structures and provides insights into measuring the small misorientation angles between adjacent dislocation cells and nanograins in nanostructured-metals and alloys with ultrafine-grained microstructures.

The quality prediction of quaternary structure models of a protein complex, in the absence of its true structure, is known as the Estimation of Model Accuracy (EMA). EMA is useful for ranking predicted protein complex structures and using them appropriately in biomedical research, such as protein-protein interaction studies, protein design, and drug discovery. With the advent of more accurate protein complex (multimer) prediction tools, such as AlphaFold2-Multimer and ESMFold, the estimation of the accuracy of protein complex structures has attracted increasing attention. Many deep learning methods have been developed to tackle this problem; however, there is a noticeable absence of a comprehensive overview of these methods to facilitate future development. Addressing this gap, we present a review of deep learning EMA methods for protein complex structures developed in the past several years, analyzing their methodologies and impacts. We also provide a prospective summary of some potential new developments for further improving the accuracy of the EMA methods.

We review time expansion wave theory and refine our model showing it to accurately match observed cosmological luminosity data. The theory augments general relativity to create a container within which quantum effects can be explained by treating time as an artefact of a fourth spatial dimension that we observe as the expansion of the universe. This leads us to explain mass creation, the speed of light limit, gravity, black holes without singularities and other macroscopic effects. Our model leads to an expansion velocity of 6.87 0.36 × 106 ms-1, which results in a Hubble expansion rate constant of 71.3 3.7 km/s/Mpc. Because of the finite window of time in which we exist, an extra a degree of freedom is available leading to interesting interpretations at the subatomic level. At this size range, then a spin is allowed within the time dimension explaining why wave particle duality occurs and explains the electromagnetic force and other quantum mechanical properties. It provides a solution to the double slit conundrum and can explain how quantum entangled partners can behave in a quantum way and pass seemingly time-defying information. The potential quantitative origin of the fine structure constant which governs the size of the electromagnetic force is also strongly indicated by this theory.

Based on acoustic fluid elements, dynamic analysis was performed on liquid sloshing modes and liquid-filled containers considering the fluid-structure interaction (FSI) effect. The liquid sloshing modes in two-dimensional (2D) and three-dimensional (3D) containers were analyzed, and the results were compared with liquid sloshing modes measured in tests and theoretically calculated modes. This thus verifies correctness of the simulation method based on acoustic fluid elements. Cylindrical liquid-filled containers with different water levels were subjected to modal analysis and dynamic and time-historical analysis. Results show that the finite element analysis (FEA) based on acoustic fluid elements can accurately simulate liquid sloshing modes in liquid-filled containers and vibration characteristics of these containers with different liquid levels. The vibration frequency of liquid-filled containers declines obviously with rising liquid level. The liquid level significantly affects distributions of the maximum displacement, maximum acceleration, and maximum von Mises stress on the sidewall of liquid-filled containers. Numerical simulations based on acoustic fluid elements provides an effective and reliable method for dynamic analysis of liquid-filled containers considering the FSI effect.

This paper explores the interactions of dynamic dark energy with other components of the cosmos, such as dark matter and baryonic matter, and its wide-ranging implications in cosmology. By investigating the interplay between dynamic dark energy and the universe's large-scale structure, we aim to provide a deeper understanding of cosmic evolution and the behavior of dark energy in different cosmological epochs. We also examine the potential of dynamic dark energy to offer novel insights into long-standing cosmological puzzles and their impact on the formation and evolution of cosmic structures.

A single type I RC (Fe-S type, ferredoxin reducing) is found in several of the phyla of anoxygenic phototrophic bacteria. They include the heliobacteria (HB), the green sulfur bacteria (GSB) and the chloroacidobacteria (CAB), for which high-resolution homodimeric RC-PS structures have recently appeared [1-4]. The 2.2-Å Xray structure of the RC-PS of Heliomicrobium modesticaldum [1] revealed that the core PshA apoprotein (PshA1 and PshA2 homodimeric pair) exhibits a structurally conserved PSI arrangement comprised of five C-terminal transmembrane helices (TMHs) forming the RC domain and six N-terminal TMHs coordinating the light-harvesting (LH) pigments. The Hm. modesticaldum structure lacked quinones, indicating that electrons were transferred directly from the A0 (81-OH-chlorophyl (Chl) a) primary acceptor to the FX [4Fe4S] component, serving as the terminal RC acceptor. A pair of additional TMHs designated as Psh X were found, that function as a low-energy antennae. The 2.5Å resolution cryo-electron microscopy (cryo-EM) structure for the RC-PS of the GSB Chlorobaculum tepidum [2] included two Fenna-Matthews-Olson protein (FMO) antennae, which transfer excitations from the chlorosomes to the RC-PS (PscA1 and PscA2) core. Two cytochromes c (PscC) molecules were revealed, which act in series as electron donors to the photooxidized RC BChl a’ special pair, as well as PscB, housing the [4Fe-4S] cluster FA and FB, and the associated PscD protein [3]. Although their FMO components were missing from the 2.6-Å cyro-EM structure of the Zn-BChl a’ special pair containing RC-PS of Chloroacidobacterium thermophilum [4], a unique architecture was revealed that consisted of seven additional subunits including PscZ in place of PscD, the PscX and PscY cytochrome c serial electron donors and four low mol. wt. subunits of unknown function. Overall, these diverse structures have revealed that: (i) the HB RC-PS is the simplest light-energy transducing complex yet isolated, and represents the closest known homolog to a common homodimeric RC-PS ancestor; (ii) the symmetrically localized Ca2+binding sites found in each of the Type I homodimeric RC-PSs likely gave rise to the analogously positioned Mn4CaO5 cluster of the PSII RC and the TyrZ RC donor site; (iii) a close relationship between the GSB RC-PS and Chl protein (CP)43 and CP47 of PSII was demonstrated by the strongly conserved locations of their LH-(B)Chls; (iv) LH-BChls of the GSB-RC-PS are also localized in the conserved RC-associated positions of the PSII ChlZ-D1 and ChlZ-D2 sites; (v) glycosylated carotenoids of the GSB RC-PS are located in the homologous carotenoid-containing positions of PSII, reflecting an O2-tolerance mechanism capable of sustaining early stages in the evolution of oxygenic photosynthesis. In addition to the close relationships found between the homodimeric RC-PS and PSII, duplication of the gene encoding the ancestral Type I RC apoprotein, followed by genetic divergence my well account for the appearance of the heterodimeric Type I and Type II RC found in extant oxygenic phototrophs. Accordingly, the long-held view that PSII arose from the anoxygenic Type II RC is now supplanted by the new evidence provided by Type I RC-PS homodimer structures, indicating that the evolutionary origins of anoxygenic Type II RCs along with their distinct antenna rings are likely to have occured later than the events which gave rise to their oxygenic counterparts.

Experimental measurement of porous polypropylene (PP) using the DTC-25 TA laboratory equipment and hot box test has been compared. The thermal conductivity of materials indicates the insulation capability of building materials. Excellent building materials will have a lower thermal conductivities value as well as other building insulator performance metrics. While results show that increasing the volume fraction of fluid in the porous PP has an inverse association with the thermal conductivity of the material as predicted by porous media theories, there is a marked difference in the measured values of the thermal conductivity using the two methods. The thermal conductivity values of porous from DTC-25 and hot box test were 0.21 and 0.0033 W/mK, respectively. The difference in the thermal conductivity values was due to the misapplication of the Fourier’s guarded heat flow model in the DTC-25 device to a convective fluid porous medium material.

In this work, we demonstrate the preparation of easy-to-fabricate nanogranular, strontium ferromolybdate/strontium molybdate core-shell ceramics and examine their properties including tunnel magnetoresistance, magnetic field sensitivity and temperature coefficient of the tunnel magnetoresistance. The tunnel magnetoresistance of nanogranular, strontium ferromolybdate/strontium molybdate core-shell ceramics was modeled yielding values suitable for magnetoresistive sensor application. Such structures possess a narrow peak of magnetic flux sensibility located at about 125 mT. For magnetic flux measurement, single domain granules with superparamagnetic behavior should be applied. The predicted TMR magnetic flux sensitivities for granules with superparamagnetic behavior amount to about 7.7 % per T and 1.5 % per T for granules sizes of 6.8 nm and 4 nm, respectively. A drawback of the tunnel magnetoresistance of such nanogranular core-shell ceramics is the unacceptable large value of the temperature coefficient. Acceptable values, lower than 2 % per K, are obtained only at low temperatures (less than 100 K) or large magnetic flux densities (exceeding 6 T). Therefore, a Wheatstone bridge configuration should be adopted for magnetoresistive sensors design to compensate the effect of temperature.

Cement paste backfill (CPB) is an effective waste management method allowing the storage of fine process tailings into underground mined-out voids. CPB performance generally depends on the sulfur content of the tailings and the type of binder. In recent years, there has been an in-creasing trend on the use of alkali-activated slag (AAS) to improve the performance properties of CPB. This study focuses on the ultrasonic and microstructural investigation of the effect of slag fineness on the mechanical, geochemical and durability properties of CPB made up of AAS (AAS-CPB) over 360 days. In this scope, AAS-CPB samples were prepared at three different fineness (3100-4650-6300 cm2/g). Fineness of slag significantly improved the early age- and long-term strength (~2.3 fold and ~6.6 fold, respectively) of CPB. However, further increase of slag fineness may have adverse effect on CPB microstructure and strength in the long term. Ultrasonic pulse velocity monitoring displayed very high relation with the strength evolution and durability assessment of CPB. Slag fineness at a degree was seen to improve the pore structure evolution of AAS-CPB. Microstructural studies are in good agreement with the geochemical and durability behavior of AAS-CPB. Microstructural and ultrasonic findings suggest that while slag fineness enhances the mechanical properties of AAS-CPB, further increase of the fineness of slag has no additional important technical advantages.

An ultraviolet (UV) nanosecond pulsed laser with a wavelength of 355 nm was applied to anneal amorphous indium-gallium-zinc oxide (a-IGZO) thin-film transistors (TFT) at various laser beam powers ranging from 0 to 280 mW. Laser irradiation was selectively carried out on the a-IGZO channel area using the beam scanning method after the a-IGZO TFT was formed through indium-tin oxide (ITO) electrode patterning and a subsequent lift-off process. After laser annealing, negative shifts in the threshold voltages and enhanced on-currents were observed at laser-beam powers ranging from 54 to 120 mW. No meaningful parameters were investigated for laser beams higher than 200 mW. By extracting the energy band gap and work function of a-IGZO from the transmittance and ultraviolet photoelectron spectroscopy (UPS) results, the ITO electrode/a-IGZO channel energy band structures were established under different laser annealing conditions, and the electron injection mechanism from the ITO to the a-IGZO channel was analyzed and optimized at a laser beam power of 120 mW. The results show that the electrical characteristics of the a-IGZO TFTs can be improved without any heat damage to the substrate because of the selective annealing process.

Single crystals of quaternary adamantine type Cu•GaGeS4 were grown by chemical vapor transport technique using iodine as transport agent. Dark red transparent crystals grew in a temperature gradient of dT = 900–750 °C. Chemical characterization by X-ray fluorescence showed an off-stoichiometric composition of the Cu•GaGeS4 crystals, in particular a slight Ge-deficit. By X-ray diffraction, Cu•GaGeS4 was found to adopt the chalcopyrite-type structure with the space group I-42d. The cation distribution in this structure was analyzed by multiple energy anomalous synchrotron X-ray diffraction and it was found that Cu and vacancies occupy the 4a site, whereas Ga and Ge occupy the 4b site. The band gap energies of several off-stoichiometric Cu•GaGeS4 crystals were determined by UV-Vis spectroscopy and are in the range of 2.1 to 2.4 eV. A non-linear correlation of the band gap energy with the Ge-content of the compound follows the usual bowing behaviour of semiconductor alloys with a bowing parameter of b = 1.45(0.08).

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

The subtropical forest soil plays a pivotal role in terrestrial carbon (C) cycling. Although global warming is expected to influence subtropical soil C cycling, a consensus on its impact on soil C dynamics remains elusive. Given the significant response of soil microbial respiration to temperature in subtropical soils, understanding its behavior under varying temperature regimes is critical for predicting soil organic C (SOC) responses to climate warming. We conducted a short-term laboratory soil warming incubation experiment, sampling both warmed and un-warmed soils from a subtropical plantation in southeastern China, incubating them at 20 °C, 30 °C, and 40 °C. Our aim was to study the SOC mineralization response to increasing temperatures. Our findings revealed that the temperature sensitivity (Q10) of SOC mineralization to short-term experimental warming varied between the warmed soil and the un-warmed soil. The Q10 of the un-warmed soil escalated with the temperature treatment (20-30 ℃: 1.31, 30-40℃: 1.63). Conversely, the Q10 of the warmed soil decreased (20-30 ℃:1.57, 30-40 ℃:1.41). Increasing temperature treatments enhanced hydrolytic enzyme activity but decreased soil substrate availability in both un-warmed and warmed soil. The Q10 of un-warmed soil was positively correlated with the response ratio of DOC. Additionally, soil microbial biomass exhibited a significant decline, leading to a reduced total amount of PLFAs and a decreased abundance of bacteria, fungi, and Gram-negative bacteria (GN). The changes in temperature also considerably altered the composition of the warmed soil microbial community. A drop in the microbial quotient coupled with a rise in the metabolic quotient indicated that warming amplified microbial respiration over microbial growth. The differential Q10 of SOC mineralization, in response to temperature across varying soil, can largely be attributed to shifts in soil nutrients, C-degrading enzyme activities, and microbial communities (the ratio of fungal to bacterial PLFAs).

A topic of growing interest in urban remote sensing is the automated extraction of geometrical building information for 3D city modeling. Roof geometry information is useful for applications such as urban planning, solar potential estimation and telecommunication installation planning, and wind flow simulations for pollutant diffusion analysis. Recent research has proven that the advance in remote sensing technologies and deep learning methods offer the prospects of deriving the roof structure information accurately and efficiently. In this study, we propose a Vectorized Roof Extractor- method based on Fully Convolutional Networks (FCNs) and advanced polygonization method to extract roof structure from aerial imagery and a normalized Digital Surface Models (nDSM) in a regularized vector format. The roof structure consists of building outlines, external edges of the building roof, inner rooflines, internal intersections of the main roof planes. The methodology is comprised of segmentation, vectorization and post-processing for outer rooflines, external edges of the building roof, and inner rooflines, and internal intersections of the main roof planes. For the comparison, we adapt the Frame field Learning (FFL) method originally designed to extract building polygons [1]. Our experiments are conducted on a custom data set derived for the city of Enschede, The Netherlands, using aerial imagery, nDSM and manually digitized training polygons. The results show that the proposed Vectorized Roof Extractor outperformed adapted FFL on PoLiS distance with values of 3.5 m and 1.2 m for outlines and inner rooflines, respectively. Furthermore, the model surpassed the adapted FFL on PoLiS-thresholded F-score for outlines and inner rooflines, with 0.31 and 0.57, respectively. The Vectorized Roof Extractor produced adequate visual results, with straighter walls and fewer missed inner roofline detections. It can predict buildings with common walls thanks to skeleton graph computation. To summarize, the proposed method is suitable for urban applications and has the potential to be improved further.

Public health suffers from noxious gas of beached Sargassum algae. Floating barrages containing them at sea will be useful provided efficiently catch them and resist to hydrodynamic pressure. Nowadays design and installation of algae barrages are empiric. Structural break, anchor and mooring chain drifts can arise. We provide a mechanical model to evaluate stresses and loads on a structure made of nets and moorings. Hydrodynamic uncertainties occur through catches, fouling, and a range of sea currents appearing in lagoons or sheltered bays. We consider a nonlinear finite-element model of elastic membrane in large displacements and small strains. We study some forcings fixed a priori on a standard section of barrage. A section 50 m long, 1 m high, with two net-faces is examined at low and moderate current velocities, 0.05 and 0.35 m.s-1, while assuming specific vertical and horizontal catch pressures. A barrage installed in lagoon at Le François on Martinique Island and being observable by satellite imagery could benefit of the computed net and mooring tensions.

Plasminogen (Plg) is the inactive form of plasmin (Plm) that exists in two major glycoforms, referred to as glycoforms I and II (GI and GII). In the circulation, Plg assumes an activation-resistant 'closed' conformation via interdomain interactions and is mediated by the lysine binding site (LBS) on the kringle (KR) domains. These inter-domain interactions can be readily disrupted when Plg binds to lysine/arginine residues on protein targets or free L-lysine and analogues. This causes Plg to convert into an 'open' form which is crucial for activation by host activators. In this study, we investigated how various ligands affect the kinetics of Plg conformational change using small-angle X-ray scattering (SAXS). We began by examining the open and closed conformations of Plg using size-exclusion chromatography (SEC) coupled with SAXS. Next, we developed a high throughput (HTP) 96-well SAXS assay setup. This method enables us to determine the Kopen value, which is used to compare ligands’ effect on Plg conformation directly. Based on our analysis using Plg GII, we have found that the Kopen for ε-aminocaproic acid (EACA) is approximately three times greater than that of Tranexamic acid (TXA), which is widely recognized as a highly effective ligand. We demonstrated further that Plg undergoes a conformational change when it binds to the C-terminal peptides of the inhibitor α2-antiplasmin and receptor Plg‑RKT. Our findings suggest that, besides the C-terminal lysine, internal lysine(s) are also necessary for the formation of open Plg. Finally, we compared the conformational changes of Plg GI and GII directly and found that the closed form of GI, which has an N-linked glycosylation, is less stable. To summarize, we have successfully determined the response of Plg to various ligand/receptor peptides by directly measuring the kinetics of its conformational changes.

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

Lactic acid bacteria (LAB) have an extracellular proteolytic system that includes a multi-domain, cell envelope protease (CEP) with a subtilisin homologous protease domain. These CEPs have different proteolytic activities despite having similar protein sequences. Structural characterization has previously been limited to CEP homologs of dairy and human derived LAB strains, excluding CEPs of plant derived LAB strains. CEP structures are a challenge to determine experimentally due to their large size and attachment to the cell envelope. This study aims to clarify the prevalence and structural diversity of CEPs by using the structure prediction software AlphaFold 2. Domain boundaries are clarified based on a comparative analysis of 21 three-dimensional structures, revealing novel domain architectures of CEP homologs that are not necessarily restricted to specific LAB species or ecological niches. The C-terminal flanking region of the protease domain is divided into fibronectin type-III-like domains with various structural traits. The analysis also emphasizes the existence of two distinct domains for cell envelope attachment that are preceded by an intrinsically disordered cell wall spanning domain. The domain variants and their combinations provide CEPs with different stability, proteolytic activity and potentially adhesive properties, making CEPs targets for steering proteolytic activity with relevance for both food development and human health.

The high level of noise in helicopter cabins considerably compromises the comfort and safety of the pilot and passengers. To verify the feasibility and effectiveness of microperforated panel composite sound absorption structures for noise suppression in helicopter cabins, simulation and experimental studies were conducted on a model of a light helicopter cabin. First, three microperforated composite sound absorption structures for the helicopter cabin wall panel were designed. Then, a finite element model of the main gear/body acoustic vibration coupling was established to obtain the target frequencies of the microperforated composite sound absorption structures; the acoustic effect was verified by simulation. Finally, a model helicopter cabin equipped with the three microperforated composite sound absorption structures was built, and a cabin noise test was performed. The test results showed that the combined microperforated panel acoustic structure and microperforated panel–porous material composite structure realized an overall cabin sound pressure level attenuation of 8–10 dB, on average, in the wide frequency range of 500–2000 Hz, with an amplitude of more than 20 dB. The microperforated panel–acoustic supermaterial composite structure achieved low-frequency sound absorption in the frequency range of 300–450 Hz. The sound absorption effect reached 50%, and it also exhibited good noise reduction effects in the middle- and high-frequency bands.

Improper lifting measures of long-span spatial steel structures during construction process may delay the construction period and even cause safety accidents. Few studies on long-span spatial steel structures considered time-varying mechanical characteristic during construction process. In order to achieve safe and efficient installation in a long-span spatial steel structure, this research presents a time-varying mechanical analysis of the synchronous and asynchronous integral lifting and a single and interlaced point’s asynchronous integral lifting analysis method of a long-span spatial steel structure. The results showed that in the case of asynchronous lifting of single point, the displacement influence on other members is related to the distance. The closer the distance from the lifting point, the greater the influence. In asynchronous integral lifting, the lifting point with large lifting force is first installed to the specified position, and the lifting point with small lifting force is installed to the specified position.

Bacterial nitroreductase enzymes that convert prodrugs to cytotoxins are valuable tools for creating transgenic targeted ablation models to study cellular function and cell-specific regeneration paradigms. We recently engineered a nitroreductase (“NTR 2.0”) for substantially enhanced reduction of the prodrug metronidazole, which permits faster cell ablation kinetics, cleaner interrogations of cell function, ablation of previously recalcitrant cell types, and extended ablation paradigms useful for modelling chronic diseases. To provide insight into the enhanced enzymatic mechanism of NTR 2.0, we have solved the X-ray crystal structure at 1.85 Angstroms resolution and compared it to the parental enzyme, NfsB from Vibrio vulnificus. We additionally present a survey of reductive activity with eight alternative nitroaromatic substrates, to provide access to alternative ablation prodrugs, and explore applications such as remediation of dinitrotoluene pollutants. The predicted binding modes of four key substrates were investigated using molecular modelling.

The crystal structure of a polymorph of Glycyl-L-alanine HI.H2O was synthesized from chiral cyclic Glycyl-L-alanine dipeptide, known to show molecular flexibility in different environments. The space group is polar (P21) and therefore pyroelectricity and optical second harmonic generation properties are allowed by symmetry. We report a pyroelectric coefficient as high as 45 µC/m2K occurring at 345 K, one order of magnitude smaller than the semi-organic ferroelectric Triglycine Sulphate (TGS) crystal. Furthermore, the polymorph displays a nonlinear optical effective coefficient of 0.14 pm/V, around 14 times smaller than the value from a phase-matched inorganic Barium Borate (BBO) single crystal.

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

Atmospheric corrosion of aluminum aircraft structures occurs due to numerous reasons. A typical phenomenon leading to corrosion is the deliquescence of contaminants such as salts due to changes in relative humidity (RH) caused by aircraft operation at different altitudes and climate zones. Currently, corrosion of aircrafts is controlled by scheduled inspections. In contrast, the present contribution aims for a continuous monitoring approach by using the acoustic emission (AE) method to detect and further evaluate atmospheric corrosion. The AE method is frequently used for corrosion detection at typically immersion-like conditions or for corrosion types where stress-induced cracking is involved. However, it has not yet been demonstrated for atmospheric corrosion at unloaded aluminum structures. To address this question, the present investigation uses small droplets of a corrosive sodium chloride (NaCl) solution to induce atmospheric corrosion on aluminum alloy AA2024-T351. Operating conditions of an aircraft are simulated by a controlled variation in RH. In addition, videos of the corrosion site are recorded to visually observe the corrosion process. Pitting corrosion is generated and clearly measurable AE signals are detected. An automatic video processing algorithm looking for sudden changes on the corrosion site mainly detects hydrogen bubbles formed when aluminum reacts with aqueous solutions. A clear correlation between the observed pitting corrosion, the AE and the hydrogen bubble activity and the RH, i.e., the electrolyte present at the aluminum surface, is found. Thus, the findings demonstrate the applicability of the AE method for monitoring atmospheric corrosion of aluminum aircraft structures by today’s measurement equipment. Numerous potential effects that can cause measurable AE signals are investigated and discussed. Among these, bubble activity is clearly considered to be the most emissive one.

Intercropping systems can flexibly use resources such as sunlight, heat, water, and nutrients in time and space, improve crop yield and land utilization rates, effectively reduce continuous cropping obstacles and the occurrence of diseases and insect pests, and control the growth of weeds. Thus, intercropping is a safe and efficient ecological planting mode. The legume–cereal intercropping system is the most common planting combination. Legume crops fix nitrogen from the atmosphere through their symbiotic nitrogen fixation abilities, and the fixed nitrogen can be transferred to and utilized by cereal crops in various ways. The symbiotic nitrogen fixation efficiency of legume crops was improved by reducing the inhibition of soil nitrogen on nitrogenase activity through competitive absorption of soil nitrogen. However, the effects of nitrogen transformation and distribution in intercropping systems, and microbial community structure characteristics on nitrogen transfer need to be further explored. In this review, ⅰ) we present the transformation and distribution of nitrogen in the legume–cereal intercropping system; ⅱ) we describe the soil microbial community characteristics in intercropping systems; and ⅲ) we discuss the advantages of using modern biological molecular techniques to study soil microorganisms. We conclude that intercropping can increase the diversity of soil microorganisms, and the interaction between different plants has an important impact on the diversity and composition of the bacterial and fungal communities. The extensive application of modern biological molecular techniques in soil microbial research and the great contribution of intercropping systems to sustainable agriculture are particularly emphasized in this review.

The article analyzes existing materials and structures with quadratic-nonlinear optical properties that can be used to generate a difference frequency in the terahertz and sub-terahertz frequency ranges. The principle of constructing a nonlinear optical-radio converter, based on an optical focon (a focusing cone), is proposed. Based on the assumption that this focon can be implemented from the metal-organic framework (MOF), we propose a technique for modeling its parameters. The mathematical model of the process of propagation and nonlinear interaction of waves inside the focon is based on a simplification of the nonlinear wave equation. Within the framework of the developed model, the following parameters are approximately determined: the 3D gradient of the linear refractive index and the function determining the geometric profile of the focon, which provide a few-mode-based generation of the difference frequency.

Fluorine represents a privileged building block in pharmaceutical chemistry. Diethylaminosulfur-trifluoride (DAST) is a reagent commonly used for replacement of alcoholic hydroxyl groups with fluorine and is also known to catalyze water elimination and cyclic Beckmann-rearrangement type reactions. In this work we aimed to use DAST for diversity-oriented semisynthetic transformation of natural products bearing multiple hydroxyl groups to prepare new bioactive compounds. Four ecdysteroids, including a new constituent of Cyanotis arachnoidea, were selected as starting materials for DAST-catalyzed transformations. The newly prepared compounds represented combinations of various structural changes DAST was known to catalyze, and a unique cyclopropane ring closure that was found for the first time. Several compounds demonstrated in vitro antitumor properties. A new 17-N-acetylecdysteroid (13) exerted potent antiproliferative activity and no cytotoxicity on drug susceptible and multi-drug resistant mouse T-cell lymphoma cells. Further, compound 13 acted in significant synergism with doxorubicin without detectable direct ABCB1 inhibition. Our results demonstrate that DAST is a versatile tool for diversity-oriented synthesis to expand chemical space towards new bioactive compounds.

Ion-exchange membranes (IEMs) are widely used in desalination, waste water treatment, food, energy production and other applications. There is a strong demand for cost-effective IEMs characterized by high selective transport of ions of a certain sign of charge. In this paper, we simulate the experimental results of V. Sarapulova et al. (IJMS 2021) on the modification of an inexpensive anion-exchange membrane (CJMA-7, Hefei Chemjoy Polymer Materials Co. Ltd., China) with a perfluorosulfonated ionomer (PFSI). The modification was made in several stages including keeping the membrane at a low temperature, applying a PFSI solution on its surface, and subsequent drying it at an elevated temperature. We apply the known microheterogeneous model with some new amendments to simulate each stage of the membrane modification. It has been shown that the PFSI film formed on the membrane-substrate does not affect significantly its properties due to the small thickness of the film (4 m) and similar properties of the film and substrate. The main effect is caused by the fact that PFSI material “clogs” the macropores of the CJMA-7 membrane, thereby blocking the transport of coions through the membrane. In this case, the membrane microporous gel phase, which has a high selectivity to counterions, remains the primary pathway for both counterions and coions. Due to the above modification of the CJMA-7 membrane, the coion (Na+) transport number in the membrane equilibrated with 1 M NaCl solution decreased from 0.11 to 0.03. Thus, the modified membrane becomes comparable in its transport characteristics with more expensive IEMs available on the market.

For many decades, X-ray diffraction (XRD) has been used for material characterization. With the recent development in material science understanding and technology, various new materials are being developed, which requires upgrading the existing analytical techniques such that intricate problems can be solved. Although, XRD is a well-established non-destructive technique, it still requires further improvements in its characterization capabilities, especially when dealing with complex mineral structures. The present review conducts comprehensive discussions on atomic crystal structure, XRD principle, its applications, uncertainty during XRD analysis, and required safety precautions, all in one place. It further discusses the future research directions, especially the use of artificial intelligence and machine learning tools for improving the effectiveness and accuracy of XRD technique for mineral characterization. It has been focused that how XRD patterns can be utilized for a thorough understanding of the crystalline structure, size, and orientation, dislocation density, phase identification, quantification, and transformation, information about lattice parameters, residual stress, and strain, and thermal expansion coefficient of materials. All these important discussions on XRD for mineral characterization are compiled in this short yet comprehensive review that would benefit specialists and engineers in the chemical, mining, iron, metallurgy, and steel industries.