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

Transformation formula under the action of a general linear fractional transformation for generalized Dedekind eta-function has been a subject of intensive study, Rademacher, Dieter, Meyer et al. However, the (Hecke) modular relation structure has not been recognized until the work of Goldstein-de la Torre, and streamlining the classical proofs in the modular relation will reveal the meaning hidden in those works. Our main aim is to elucidate the works of these researchers in the context of modular relations.

Highly transparent thin films with the chemical formula BaSrMgWO6 were deposited by spin coating using a solution of nitrates of Ba, Sr and Mg and ammonium paratungstate in dimethylformamide with a ratio Ba:Sr:Mg;W=1:1:1:1. XRD, SEM, EDX and XPS investigations evidenced that an annealing at 800 ºC for 1h leaves the structure amorphous with a precipitate on the surface and that a supplementary annealing at 850 ºC for 45 min forms a nanocrystalline structure and dissolves a part of precipitates. It was evidenced a textured double perovskite cubic structure (61.9%) decorated with tetragonal and cubic impurity phases (12.7 %) like BaO2, SrO2 and MgO and an under-stoichiometric phase (24.4%) with the chemical formula Ba2-(x+y) SrxMgyWO5. From transmittance measurements the values of optical band gap were estimated for the amorphous (Eg= 5.15) and nanocrystalline (Eg=4.58 eV) phases. The presence of a lattice disorder was indicated by the high values of Urbach and weak absorption tail energies A decrease in their values was observed and attributed to the crystallization process and cation redistribution.

In this paper we establish a topological framework of τ-structures to quantify the evolutionary transitions between two RNA sequence-structure pairs. τ-structures developed here consist of a pair of RNA secondary structures together with a non-crossing partial matching between the two backbones. The loop complex of a τ-structure captures the intersections of loops in both secondary structures. We compute the loop homology of τ-structures. We show that only the zeroth, first and second homology groups are free. In particular, we prove that the rank of the second homology group equals the number γ of certain arc-components in a τ-structure, and the rank of the first homology is given by γ−χ+1, where χ is the Euler characteristic of the loop complex.

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.

The intestinal microbial community of aquatic animals is closely related to the environment and thus affects the health of aquatic animals. Here we investigated annual variation of intestinal bacteria community structures of Ruditapes philippinarum cultured using two different methods, bottom sown and raft hanging. Bacterial diversity of seawater and sediment in different seasons was examined as well. Correlation between R. philippinarum intestinal bacteria community structures and environmental factors was analyzed. The results showed that in the two aquculture areas where R. philippinarum was differentially cultured, bacteria community structure of seawater and sediment both altered with seasons. However, neither seasonal changes nor difference in culture methods could significantly affect the intestinal bacteria community structures of R. philippinarum. Additionally, in terms of the alpha diversity of intestinal bacteria communities, there was no significant difference in R. philippinarum cultured using the two methods. For benthic cultured clams, alpha diversity of the intestinal bacterial communities was often higher than that of the environmental bacterial communities. For raft hanging cultured calms, Alpha diversity of the intestinal bacterial communities was normally comparable with that of the environmental counterparts. Beta diversity analysis showed that the intestinal bacterial community structure of R. philippinarum was mainly determined by both deterministic and stochastic processes. Correlation analysis showed that the intestinal bacterial community structures of R. philippinarum were determined by a variety of environmental factors. For clams collected from the benthic culture area, the intestinal bacterial structure was more correlated with the physicochemical properties of sediment in comparing with those of seawater. For clams collected from the raft-culture area, the intestinal bacterial structure was mainly determined by the phsicochemical characteristics of seawater. This study helps us to better understand the bacterial community structure in complex aquaculture ecosystems, providing a reference for healthy shellfish aquaculture and ecosystem protection in aquaculture area.

Refraction of an oblique shock wave on a tangential discontinuity dividing two gas flows with different properties is considered. It is shown that its partial reflection occurs excepting of geometrical diffraction of an oblique shock. Another oblique shock, expansion wave or weak discontinuity that coincides with Mach line, can act as a reflected disturbance. This study focuses on relationships which define the type of reflected discontinuity and its parameters. Domains of existence of various shock-wave structures with reflected disturbances of two types and boundaries between them are defined. The domains of parameters with one or two solutions exist for the characteristic refraction. Conditions of the regular refraction and the Mach refraction are formulated, and boundaries between those two refraction types are defined for various types of gases. Refraction phenomena in various engineering problems (hydrocarbon gaseous fuel and its combustion products, diatomic gas, fuel mixture of oxygen and hydrogen etc.) are discussed.

. Interconnected control systems (ICS) widely apply to various technical systems. ICS has a complex description. Therefore, simplified models use, which the specifics of an object do not always reflect. So, the problem of synthesizing mathematical models is topical. The work purpose is to develop an approach to obtaining models in conditions of incomplete a priori information. We use an adaptive approach. As examples, two-channel systems (TCS) with cross-links and identical channels consider, and a method for mathematical model design. We consider the system with asymmetric cross-links and evaluate their impact on properties of an adaptive identification system. Approach proposed to assessing the TCS identifiability with cross-links. The excitation constancy influence on TСS parameter estimates is studied. A generalization of the proposed approach is given for an interconnected system.

Greenwater (splashing of water on the deck) loading is a classical problem faced by the designer of ship-shaped vessels, which becomes even worst when the vessel operates at harsh weather conditions for an extended period. Installation of breakwaters on the deck can play a crucial role in minimizing this impact. However, research on the design and optimization of the breakwater is still at its infancy, and this study aims at shedding further light on this area by proposing and analyzing the effectiveness of three breakwater designs on a fixed box-shaped vessel. Commercial CFD software is used for this investigation. However, the design model (without breakwater) was validated at first against experimental results of green water splashing, before performing the actual simulations with proposed breakwater design. A vertical plate is used as the deck structure, and greenwater pressure at several locations on that plate is measured to compare the effectiveness of various breakwater designs. Overall, breakwaters with openings (perforations, grillages etc.) found to be more effective in minimizing the pressure generated by the greenwater. Nevertheless, there are significant rooms for improvement on breakwater designs, and some topics for further research are also suggested in this regard.

Abstract: Service polycentricism, in the face of the pandemic, took on a new significance because of sanitary requirements. Population concentrations in large service centres face a high risk of infection both at their destination and during the trip. Higher-tier services were largely closed during the threat’s peak. In this paper, the focus of the study has been placed on the urban scale of a large city’s polycentricism as seen through the prism of service concentrations, which, to a degree, are commuter destinations, but primarily act as attractors that are not associated with work—they satisfy higher-tier service needs. To formulate the investigative apparatus used to study the functio-spatial structure of Cracow. The current threat, as well as the high probability of similar situations happening in the future, will probably lead to changes in behaviour patterns of consumers and service providers in reference to siting. Local service centres that are accessible to pedestrians, due to safety-related considerations, can gain significant popularity.

Three species of subfamily Cultrinae currently live in Korea, but Erythroculter erythropterus has been introduced into the Nakdonggang River and has taken over the habitat, reducing the habitat of Culter brevicauda. Only the endangered species C. brevicauda still lives in the Yeongsangang River, and it is necessary to be careful not to introduce E. erythropterus in the future. And Hemiculter eigenmanni is also found throughout the country. In order to effectively manage and conserve the species in its various habitats and against invasions, this study was initiated. The ultrastructure of the egg envelopes of three species of Cultrinae— E. erythropterus, C. brevicauda, and H. eigenmanni, inhabiting the Geumgang and Yeongsangang Rivers were observed. It was found that the zona radiata of the egg envelopes of all three species were divided into two layers–an outer and inner layer, with the outer surface having a non-structural form. This form is characteristic of fishes with muddy, stagnant habitats or spawning grounds. The number of pore canals on the surface of the egg envelopes was 83 for E. erythropterus, 75 for C. brevicauda, and 58 for H. eigenmanni per 10 ㎛2, and the thickness was 7.89±0.34 ㎛, 12.27±0.46 ㎛, and 7.42±0.24 ㎛, respectively. The shape of the micropyle demonstrated a funnel shape narrowing toward the inner diameter in all three species, and the size of the inner diameter was 6.62±0.29 (6.09~7.10) ㎛ in E. erythropterus, 4.19±0.39 (3.39~4.58) ㎛in C. brevicauda, and 3.98±0.46 (3.47~4.93) ㎛in H. eigenmanni. The differences between species were identified in the number of pore canals, thickness, and micropyle inner diameter of egg envelopes, which were species-specific. Our study revealed a morphological mechanism in the egg envelope that prevents the formation of interspecific hybrids, and these features can be taxonomic traits that clarify species names. It also provided useful data for the production (breeding) of the second generation in aquaculture.

Egg white lysozyme was modified by chemical methods using organic acids. Caffeic acid and p-coumaric acid in organic acids were used as modifiers, and 1-Ethyl-3- (3-dimethylaminopropyl) carbodiimide hydrochloride and N-hydroxy succinimide were used as dehydration condensation agents during modification. A certain degree of modified lysozyme was obtained through appropriate modification conditions. The antibacterial properties and structure of the obtained two organic acid modified lysozymes were compared with natural enzymes. The results showed that compared with the natural enzyme, the activity of modified lysozyme decreased, but the inhibitory effect on Gram-negative bacteria was enhanced. The minimum inhibitory concentrations of caffeic acid modified enzyme and p-coumaric acid modified enzyme on Escherichia coli and Pseudomonas aeruginosa were 0.5 mg/mL and 0.75 mg/mL, respectively. However, the antibacterial ability of modified lysozyme to Gram-positive bacteria was lower than that of natural enzyme. The minimum inhibitory concentration of caffeic acid modified enzyme and p-coumaric acid modified enzyme to Staphylococcus aureus and Bacillus subtilis was 1.25 mg/mL. The peak fitting results of the amide-I band (1600 cm-1-1700 cm-1) absorption peak in the infrared spectroscopy showed that the content of the secondary structure of the two modified enzymes obtained after modification was different from that of natural enzymes.

In 2011 over 1.7 million people were hospitalized because of a fragility fracture, and direct costs associated with osteoporosis treatment exceeded 70 billion dollars in the United States. Failure to reach and maintain optimal peak bone mass during adulthood is a critical factor in determining fragility fracture risk later in life. Physical activity is a widely accessible, low cost, and highly modifiable contributor to bone health. Here, we will review the evidence linking exercise and physical activity to bone health in women. Bone structure and quality will be discussed, especially in the context of clinical diagnosis of osteoporosis. We will review the mechanisms governing bone metabolism in the context of physical activity and exercise. Questions such as, when during life is exercise most effective, and what specific types of exercises improve bone health, will be addressed. Finally, we will discuss some emerging areas of research on this topic, and will summarize areas of need and opportunity.

The potential effect of implementing environmental regulations on economic growth is a controversial issue for a long time. As portrayed by Porter hypothesis, environmental regulations may impact on economic growth by reconstructing the economic structure. A number of previous literature proved the connections between the above three parties. With the intention of exploring the nature of this mechanism, it is important to understand the internal inter-relation of the three parties, requiring data from a large economy experiencing the transition in economic structure. By constructing a panel containing data from 30 Chinese provinces over 10 years (2008-2019), this paper investigate the dynamic inter-relation of the three parties by introducing PVAR model with Granger Test. Results reveal that environmental regulations give a “U” shaped impact to economic growth. In return, economic growth promotes the development of economy with a weakening strength. In addition, results also support the hypothesis that economic structure is the intermediate of economic growth and environmental regulations. There is a rooftop for the effect of economic structure to environmental regulations. The rooftop may signify the best optimization of primary structure.

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

Conservation of natural habitats in human-dominated landscapes is critical for halting biodiversity loss. Maintaining habitat quantity and connectivity requires landscape-level collective action, which results from environmental decisions made by individual land owners. We investigate how individual decision making in a rural collective translates into quantitative differences in landscape-level environmental outcomes. Behavioral science has become a critical domain of knowledge in conservation, but little attention has been paid to how multiple behavioral drivers determine the success of collective environmental action. We developed a social-ecological model for landscape-level conservation using a detailed data set of 600 land owners in New Zealand. With the model, we tested whether the effect of social influence networks on collective conservation action was altered by their interplay with land owners’ personal characteristics, connections to cross-scale actors and local environmental contexts. Interactions between multiple behavioral drivers determined the environmental outcomes of collective action in unexpected ways by modifying, muting or amplifying the effects of single drivers. Importantly, we detected a social-ecological mechanism for rapid change in the extent of protected habitats, which can explain highly successful or failed environmental outcomes of collective conservation. Further, when environmentally desirable and undesirable behaviors spread simultaneously through the social network, homophily and network cohesion hinder desirable environmental outcomes. This effect can be modified by other drivers such as social responses to local environmental change. Thus, understanding how the antagonistic and synergistic effects of behavioral drivers can be best utilized in conservation will benefit biodiversity and ensure benefits that humans obtain from biodiversity.

In this paper, ground tire rubber (GTR) was mechano-chemically modified with road bitumen 160/220 and subsequently treated using a microwave radiation. The combined impact of bitumen 160/220 content and microwave treatment on short-term devulcanization of GTR were studied by thermal camera, wavelength dispersive X-ray fluorescence spectrometry (WD-XRF), static headspace and gas chromatography-mass spectrometry (SHS-GC-MS), thermogravimetric analysis combined with Fourier transform infrared spectroscopy (TGA-FTIR), oscillating disc rheometer and static mechanical properties measurements. The obtained results showed that bitumen plasticizer prevent oxidation of GTR during microwave treatment and simultaneously improves processing and thermal stability of obtained reclaimed rubber.

Three new secoiridoid constituents Gonocarin A-C (1-3) and a new derivative Gonocarin A monoacetate (4), along with two known lignins pinoresinol (5) and paulownin (6) were isolated from the seed of Gonocaryum calleryanum (Baill.) Becc. The structures of the new metabolites were determined on the basis of extensive spectroscopic analysis, particularly mass spectroscopy and 2D NMR (1H–1H COSY, HMQC, HMBC, and NOESY) spectroscopy. When mouse macrophages RAW264.7 were treated with compounds 1-6 together with LPS -stimulated, a concentration-dependent inhibition of nitric oxide (NO) and tumor necrosis factor (TNF-α) productions were detected. The results confirmed that the Gonocaryum calleryanumrrg could be a potential anti-inflammatory agent.

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

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

Nonwoven fabrics have been widely used in textile manufacturing industry as a sheet or web structure because of soft, water-repellent, recycle, ecological and resilient functions. Ultrasonic welding method has been applied for bonding nonwoven fabrics due to clean, fast and reliable approach. In this work, the ultrasonic stepped horn is designed to generate uniform amplitudes on the working surface by using finite element analysis (FEA) simulation. Chromium carbon steels are utilized to produce ultrasonic horns due to high wear resistant and hardness. Isotactic polypropylene nonwoven fabrics fabricated by spunbond process were bonded by continuous ultrasonic sewing machine. Ultrasonic horn with 70 mm in diameter working at 20 kHz, polypropylene (PP) nonwoven density of 80 gsm and various design of welding joints were applied. A typical image in the case of number one was investigated by the scanning electron microscope (SEM) images of inter-facial micro-structure. However, welding joints of totally eight roller patterns was test the tensile strength of the ultrasonic welding joints on PP nonwoven fabrics. The tensile strength of the welding joints is proportional to the area ratio between the welding area and cycling area. The results showed that the melted zone without welding defects such as crack or blowhole can be seen. Furthermore, the tensile strength of welding joints in eight cases of roller patterns (No.1-No.8) was described in details. The ultrasonic welding joints with brick structures give higher tensile strength while the solid line in the pattern gave less strength.

The microspheres constituted by proteinoids synthesized from Fox’s simulation experiments. They had peptide bond structure and weak catalysis, as well as proliferated themselves. Such microspheres were believed the models for primitive life. Due to lack of metabolism and self-reproduction, the microspheres could not meet requirements of life. Thus, how microspheres could evolved into primitive life remain unsolved mysteries. The microspheres were supposed a dissipative structure and the processes of absorption and hydrolysis could be balanced to maintain their stability by consuming proteinoid. Proteinoid molecules differed in their life spans, which were mainly determined by their multi-space structures. Consequently, molecule selection and retention could occur spontaneously in microspheres and lead to a more organized and stabilized structure of the whole microsphere with time through dissipative process. More complex chain network of chemical reactions could happen in microspheres because the proteinoid with complex, ordered multi-space structure and relatively high catalytic activity would retain. In such microspheres, nucleotides could produce and further aggregate into RNA. The synthesis of real proteins could take place with RNA as the template catalyzed by proteinoids or RNA inside microspheres. When template-based protein molecules replaced the proteinoid inside the microspheres, a protein-based self-catalyzed network of chemical reactions could take place. It is plausible if Fox’s proteinoids microspheres is to dawn on a dissipative structure, then molecule selection could occur spontaneously by “dissipative” proteinoids, and the microspheres would acquire catalytic activity due to preserved the proteinoid with a large molecular weight and relatively complex and ordered multi-space structure, and relatively high catalytic activity. Thus the microspheres would spontaneously go to self-organizing, and evolve into primitive life.

As one of the typical deposits in Sichuan-Yunnan-Guizhou Pb-Zn metallogenic province, the Daliangzi Pb-Zn deposit has a close genetic relation with the structural system of “black/fracture zone” formed under the action of NWW-approx. EW strike-slip structures in the metallogenic province, but the mechanism of rock and ore-controlling action of the structural system remains unclear. Based on detailed analysis of tectonite-mineralized alteration lithofacies of R1 “black/fracture zone”, the tectonite-mineralized alteration lithofacies zones can be divided into 4 types in succession outward from the Pb-Zn mineralization center, i.e., ① brecciated and stockwork-like Pb-Zn mineralization-complex breccia facies zone, ② stockwork-like Pb-Zn mineralization-simple breccia and cataclasite facies zone, ③ veined pyrite-sulfide-dolomitic cataclasite facies zone, and ④ fine-veined calcite-black carbonized dolomite facies zone; Cl- and SO42--rich high-temperature oxidizing ore-bearing fluid mixes with reducing fluid in Zone ① while migration and precipitation occur in Zone ④. With the evolution of ore-forming fluid, the homogenization temperature decreases from Zone ① to Zone ④, the salinity increases from Zone ① to Zone ② and then decreases to Zones ③ and ④, and the fluid density has little change on the whole; the contents of Zn, Pb, Cu, Ga, Ge, Cd, Ag, and other metallogenic elements, the Zn/Pb ratio, and the CaO/MgO mole ratio decrease gradually from Zone ① to Zone ④; and REE fractionation, calcilization, silicification, and pyritization enhance gradually from Zone ① to Zone ④. This series of changes are the product of diapirism (cryptoexplosion) of strike-slip structures and “black/fracture zone”, among which the second-order structures (F5, F100, and other faults) derived from NWW-approx. EW striking dextral shear-tension faults F1 and F15 control the brecciated and stockwork-like Pb-Zn mineralized complex breccia facies zones and the stockwork-like Pb-Zn mineralized simple breccia and cataclasite facies zones. Therefore, this paper establishes the zoning mode of tectonite-mineralized alteration lithofacies of “black/fracture zone” and proposes that Zones ① and ② are important prospecting criteria. conclusions.

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.

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

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

As two commonly-used non-selective herbicides, glyphosate (GP) and diquat (DQ) are easily co-resided in lateritic paddy soil due to the rich iron/aluminum oxides, nevertheless there is limited information on their co-impact on microbial diversity and community structure in this type soil. In this study, the short-term effects of combined GP and DQ on soil microbial diversity and community structure shifts were investigated in lateritic paddy soil from a tropical agricultural region (Hainan, China) based on 16S rRNA and ITS high-throughput sequencing technology. The results showed that mixed herbicides promoted the abundance of Streptomyces in bacteria (0.45-1.84%) and Curvularia in fungi (0.01-5.85%), while GP and DQ had inhibitory effects on the abundance of Streptomyces (0.13-2.21%) and Curvularia (0.03-1.13%), which were significantly different with their single exposure (p < 0.05); the combined application of the two herbicides aggravate the adverse effect on the diversity of soil fungal community (p < 0.05), although their mixture did not have a greater impact on the soil bacteria abundance/diversity and fungi abundance (p > 0.05). Results suggested that the combined application of GP and DQ affected the fungal diversity although they did not cause other significant negative effects on soil microorganisms, hinting that more attention should be paid to the mixed effect caused by GP and DQ on specific fungal populations in lateritic paddy soil.

The Wolfram (W), Silicium (Si) and Molybdenum (Mo) doped Co-Cr biomedical alloy were fabricated by additive manufacturing method, which is part of powder metadology. The mixture of Wolfram (W), Silicium (Si), Chrome (Cr) and Cobalt (Co) alloy is known good wear and corrosion resistance among of biomedical applications. By addition of Molybdenum (Mo) into the structure of alloy, the structure become more stbale also increase the corrosion and wear resistance. In addition, the effects of secondary annealing process on the alloy were investigated. The microstructure of the produced alloy was analyzed by X-ray diffraction method XRD, Energy Dispersive X-Ray Analysis EDX and scanning electron microscope SEM. Moreover, Electrochemical corrosion test, micro hardness and density measurements were performed to investigate the mechanical properties of the alloy. As a result of the analyzes, the effects of Molydenum (Mo) doped and secondary annealing on the microstructure and mechanical properties of bioalloying were determined.

Research shows that in earthquakes the ground response changes in areas where there are underground cavities. Due to the fact that subways and underground tunnels pass from beneath buildings in urban areas, these changes in ground response have a direct impact on the seismic behavior of structures. In this study, first by model validity and reliability of the results, steel structures modeling was conducted and steel structure behavior was evaluated due to Tunnel-Soil-Structure seismic interaction. Parameters studied are number of stories, soil type, tunnel depth, horizontal tunnel-structural distance and dynamic loading. Considering that one of the most important parameters of structural control is drift and story displacement, so this important factor will be considered. The results show that tunneling has a direct effect on the rate of structural displacement and increases the structural response. Also, the behavior of the structure is affected by the position of the structure at the ground level and the position of the tunnel and this should be considered during the design phase of the structures.

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.

Enzymatically active nanocomposites are a perspective class of bioactive materials that finds their application in numerous fields of science and technology ranging from biosensors and therapeutic agents to industrial catalysts. Key properties of such systems are their stability and activity under various conditions, the problems that are addressed in any research devoted to this class of materials. Сomprehension ща the principles that affect these properties play the most important role in the development of the field, especially when it takes to a new class of bioactive systems. Recently, a new class of enzymatically doped magnetite-based sol-gel systems emerged and paved the way for a variety of potent bioactive magnetic materials with improved thermal stability. Such systems already showed themself as perspective industrial and therapeutic agents, but are still under intense investigation and many aspects are still unclear. Here we made a first attempt to describe the interaction of biomolecules with magnetite-based sol-gel materials and to investigate facets of protein structure rearrangements occurring within the pores of magnetite sol-gel matrix using dedicate Fourier-transform infrared spectroscopy.

Soybean is one of the world’s most economically significant crops and is widely utilized as an essential source of vegetable protein and edible oil. Cultivated soybean is domesticated from its annual counterpart, wild soybean, which is considered valuable germplasm for soybean breeding. However, wild soybean accessions generally produce seeds with impermeable coats, a trait known as hard seededness (HS), which is beneficial for long-term seed survival but is undesirable for the uniform water absorption and germination of seeds, thus limiting the utilization of wild soybeans in breeding. However, moderate HS can isolate the embryo from the surrounding environment and is thus beneficial for long-term seed storage and germplasm preservation. The HS trait is primarily associated with the structure and chemical composition of the seed coat. However, its development is also influenced by various environmental conditions, such as water and temperature. Genetic analysis has revealed that HS of soybean is a complex quantitative trait controlled by multiple genes or minor quantitative trait loci (QTL), with many QTLs and several causal genes currently identified. Investigating the physiological and molecular mechanisms underlying this trait is crucial for soybean breeding, production, and food processing. For this article, the literature was reviewed and condensed to create a well-rounded picture of the current understanding of internal and external factors, QTLs, causal genes, and the regulatory mechanisms related to the HS of soybean, with the aim of providing reference for future research and utilization of this trait.

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

As a crucial part of head protection equipment, research on the material and structural application of helmet liners has always been a hot topic in the field of helmet manufacturing. This paper aims to introduce the most common helmet liner materials, including traditional polystyrene, polyethylene, polypropylene, and others, as well as emerging materials such as anisotropic materials, and polymer nanocomposites. In addition, the design principles of helmet liner structure are discussed, including the evolution of multi-layer structure, integration of geometric irregular bubbles, etc., to enhance energy absorption capacity. Advanced manufacturing processes such as additive manufacturing technology are introduced to fabricate complex structures. Finally, the application of biomimetic structures in helmet liner design is explored. For example, the structure of biological tissue can be used to design a helmet liner structure with superior energy absorption performance. On this basis, the idea of bionic structures is extended to the combination of plant stalks and animal skeletal structures, and additive manufacturing technology is used to significantly reduce energy loss during elastic yield energy absorption, thus designing a reusable helmet. This provides a promising research direction for future helmet liner materials and structural applications.

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

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

Tidal stream energy is a low carbon energy source. Tidal stream turbines operate in a turbulent environment, and the effect of the structure between the turbine and seabed on this environment is not fully understood. An experimental study using 1:72 scale models based on a commercial turbine design was carried out to study the support structure influence on turbulence intensity around turbine blades. The study was conducted using the wave-current tank at LABIMA, University of Florence. A realistic flow environment (ambient turbulent intensity = 11%) was established. Turbulence intensity was measured upstream and downstream of a turbine mounted on two different support structures (one resembling a commercial design, the other the same with an additional vertical element), in order to quantify any variation in turbulence and performance between the support structures. Turbine drive power was used to calculate power generation. Acoustic Doppler Velocimetry was used to record and calculate upstream and downstream turbulence intensity. In otherwise identical conditions, performance variation of only 4% was observed between two support structures. Turbulent intensity at 1, 3 and 5 blade diameters, both upstream and downstream, showed variation up to 21% between the two cases. The additional turbulent structures generated by the additional element of the second support structure appears to cause this effect, and the upstream propagation of turbulent intensity is believed to be permitted by surface waves. This result is significant for the prediction of turbine array performance.

Sustainability is directly linked to firms’ survival in competitive markets. To survive, firms need extra capital, and seasoned equity offerings (SEOs) are one sustainability strategy. Additional resources from SEOs leads to changes in firms’ operational structure, which brings future sustainability. This study investigates whether there is sustainability in firms’ operational structure and the effects of sustainable development on operational performance and market reaction. We measure the operational structure change of firms as three proxies: 1) the rate of increase in the number of operating segments, 2) the Berry–Herfindahl index using the ratio of sales of each operating segment out of total sales, and 3) the size of net investment in plant and equipment. Our results show that operational structure change has a statistically significant and positive correlation with long-term operating performance. In addition, there is no significant stock price response at first, but the operating performance in the next term is perceived as a favorable factor after 3 years. The results show that there are different responses in the stock market toward operational structure change. The empirical results confirm that firms with SEO have sustainable development in operational structure and that markets recognize firms’ sustainability strategy arising from SEOs.

Foundation on soft soil has always been a challenge for civil engineers, Pile foundation is by far the most suitable and comprehensive idea for construction on soft soil. In the present study, we produce a comprehensive overview of Pile foundation research from 1992 to 2021 by making use of bibliometric analysis. This study is conducted based on the Web of Science Core Collection Database. The Web of Science, MS Excel, and VOS viewer software are used for bibliometric analysis and science mapping. A database of 4803 publications has been retrieved. The analysis results show that People R China has yielded the greatest number of publications. In geographical terms, more than 50% of research is done by Asian countries. People R China and USA have the highest collaboration. Studies in this period are focusing on key factors associated with pile foundations such as Soil structure interaction, Pile group, Settlement, Liquefaction, Bearing Capacity etc. as suggested by the keywords analyzed in these publications. Analysis of the most cited articles in the field of Geotechnical and Geoenvironmental Engineering reveals that the research area has gone vast from analyzing axial behavior and strength of pile foundations to analyzing seismic responses, further moving to sustainable structure and artificial intelligence applications in the concerned field in the last 30 years.

Electron beam treatment of ZnS:Cu,Br (Cu activator content 0…0.6%wt.) radioluminescent phosphors as well as charge mixture with the electron energy 900 keV and absorbed dose of 600 kGy resulted in a enhancement of brightness up to 80%. The increased brightness is due to increase of content of wurtzite phase relative to sphalerite one with formation of wurtzite/sphalerite nanocomposite structure. Transformation of crystal structure is accompanied with corresponding change in content of active surface centers characteristic for sphalerite and wurtzite phases. A model describing surface centers of ZnS:Cu,Br radioluminescent phosphor is suggested.

Air pollution is an important factor affecting human health and daily life. Chinese government is making vigorous efforts to control air pollution. The upgrading of industrial structure is a problem-solving tool in environment and economic growth cases. This paper aims to explore the relationships among environmental regulation, the upgrading of industrial structure and air pollution. The PVAR (Panel Vector Auto Regression) model and moderation effect model has been used to conduct empirical analysis based on panel data of 30 provinces in China from 2004 to 2020. The results of analysis indicate (1) the environmental regulation can significantly reduce the air pollution, but the deterioration of air quality could not effectively influence environmental regulations. (2) The upgrading of industrial structure can weaken the air pollution and air pollution hinders the upgrading of industrial structure. (3) With the improvement of environmental regulation, the industrial structure is constantly upgraded, but the upgrading of the industrial structure has a negative effect on the improvement of environmental regulation. (4) The upgrading of industrial structure can positively moderate the influence of environmental regulation on air pollution.

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

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

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

The objective of this study is to evaluate the effects of the 3D point cloud density derived from unmanned aerial vehicle (UAV) photogrammetry and structure from motion (SfM) and multi-view stereopsis (MVS) techniques, the interpolation method for generating a digital terrain model (DTM), and the resolution (grid size) of the derived DTM on the accuracy of estimated heights in small areas, where a very accurate high spatial resolution is required. A UAV-photogrammetry project was carried out on a bare soil of 13 × 13 m with a rotatory wing UAV at 10 m flight altitude (equivalent ground sample distance = 0.4 cm). The 3D point cloud was derived, and five sample replications representing 1, 2, 3, 4, 5, 10, 15, 20, 30, 40, 50, 60, 70, 80 and 90% of the original cloud were extracted to analyze the effect of cloud density on DTM accuracy. For each of these samples, DTMs were derived using four different interpolation methods (Inverse Distance Weighted (IDW), Multiquadric Radial Basis Function (MRBF), Kriging (KR), and Triangulation with Linear Interpolation (TLI)) and 15 DTM grid size (GS) values (20, 15, 10, 9, 8, 7, 6, 5, 4, 3, 2, 1, 0.67, 0.5, and 0.4 cm). Then, 675 DTMs were analyzed. The results showed, for each interpolation method and each density, an optimal GS value (most of the cases equal to 1 cm) for which the Root Mean Square Error (RMSE) is minimum. IDW was the interpolator which yielded best accuracies for all combination of densities and GS. Its RMSE, considering the raw cloud, was 1.054 cm. The RMSE increased 3% when a point cloud with 80% extracted from the raw cloud was used to generate the DTM. When the point cloud included the 40% of the raw cloud, RMSE increased 5%. For densities lower than 15%, RMSE increased exponentially (45% for 1% of raw cloud). The grid size minimizing RMSE for densities of 20% or higher was 1 cm, which represents 2.5 times the ground sample distance of the pictures used for developing the photogrammetry project.

A geometric Planck-scale model of quantum electrodynamics is tested against observations. Based on Dirac’s proposal to describe spin 1/2 particles as tethered objects, elementary fermions are conjectured to be fluctuating rational tangles with unobservable tethers. As Battey-Pratt and Racey showed, when such tangles propagate, they obey the free Dirac equation. Classifying rational tangles yields the observed spectrum of elementary fermions. Classifying deformations of tangle cores yields exactly three types of gauge interactions. They exchange three types of elementary gauge bosons and have the symmetry groups U(1), broken SU(2) and SU(3). The possible rational tangles for fermions, Higgs and gauge bosons allow only the observed Feynman diagrams. The complete Lagrangian of the standard model arises, including the Lagrangian of quantum electrodynamics. Over 50 tests of the tangle model are deduced. They include details on the perturbation expansion of the g-factor and the existence of limit values for electric and magnetic fields. Measurements agree with most tests, though this could change in the future. Some tests are genuine predictions that still need to be checked. In particular, the geometry of the process occurring at QED interaction vertices suggests an ab-initio estimate for the fine structure constant. In addition, the average geometric shapes of the elementary particle tangles suggest ab-initio lower and upper limits for the mass values of the electron and the other leptons.

In this paper, the effect of multi-rotational speeds super-gravity field on the grain refinement and tensile properties of as-cast H13 steel were investigated systematically. The experimental results revealed that the as-cast grains of H13 steel can be significantly refined in multi-rotational speeds supergravity field. In conventional supergravity field, with the decrease of rotational radius, the secondary dendrite average spacing (SDAS) and the austenite grain average size (AGAS) increase, and the maximum values of SDAS and AGAS are 90 µm and 55 µm, respectively. while in multi-speeds supergravity fields, at the range of increasing rotational speeds, SDAS and AGAS decrease as the rotational radius decreases. In three-rotational speeds supergravity field, the maximum values of SDAS and AGAS are 80 µm and 50 µm. In five-rotational speeds supergravity field, the maximum values of SDAS and AGAS are reduced to 58 µm and 34 µm. Accordingly, both the tensile strength and the plasticity are enhanced with the increasing the number of rotational speeds in supergravity field, especially for the inner position of supergravity sample. The ultimate tensile strengths at outer, middle, and inner positions of H13 steel solidified in conventional supergravity field are 1445 MPa, 1378 MPa, and 1023 MPa, corresponding elongations of 2%, 1.5%, and 0.5%, while in the five-rotational speeds supergravity field, they are 1408 MPa, 1443 MPa, and 1453 MPa, corresponding elongations of 1.8%, 3.9%, and 2.2%. The mechanism for the grain refinement is that multi-speeds super-gravity can reduce the critical nucleation work of austenite, and the tangential force produced by changing the rotational speeds breaks dendrites at the solidification front, refining solidification structure.

Of the roughly 20,000 canonical human protein sequences, as of September 15, 2020, 6,937 proteins have had their full or partial, medium- to high-resolution structures determined by x-ray crystallography or other methods. Which of these proteins dominate the Protein Data Bank (the PDB) and why? In this paper, we list the 273 top human protein structures based on the number of their PDB entries. This set of proteins accounts for more than 40% of all available human PDB entries and represent past trends as well as current status for protein structural biology. We briefly discuss the relationship which some of the prominent protein structures have with protein research as a whole and mention their relevance to human diseases. The top-10 soluble and membrane proteins are all well-known (most of their first structures being deposited more than 30 years ago). Overall, there is no dramatic change in recent trends in the PDB. Remarkably, the number of structure depositions has grown nearly exponentially over the last 10 or more years (with a doubling time of 7 yrs for proteins from all organisms). Growth in human protein structures is slightly faster (at 5.9 yrs, while E.Coli and Mouse+Rat protein structures accumulate more slowly, Zebrafish protein structures are growing most, at a doubling every 3.7 years, albeit starting from only approx. 100 structure entries in 2010). The information may be informative to senior scientists but also inspire researchers who are new to protein science, providing the year 2020 snap-shot for the state of protein structural biology.

Optical fiber sensors have become a widely-used tool to perform life-long monitoring of large structures. Different set-ups of sensors can be used to obtain information at different scopes. In this paper, the application of a portable Brillouin optical time domain analysis sensor applied to reinforced concrete beams is presented. The sensor is made up of a single-mode optical fiber applied to the structure that enables the measurement of tensile and compressive axial strain along the beams. The fiber is embedded into a concrete casting and fixed along the reinforcement bars so that a complete correlation can be obtained regarding strain and displacements in linear and non-linear flexural response. The use of four sensing fibers positioned along the beam's length at different vertical positions makes it possible to read the strain variation within the cross-section. In accordance with Bernoulli’s hypothesis, this allows curvature diagrams to be obtained across the structure. The measured curvature is used to set up the moment–curvature relationship, which highlights the possibility of the sensor monitoring structures continuously in space and time.

Despite the long history of using protein sequences to infer the tree of life the potential for different parts of protein structures to retain historical signal remains unclear. We propose that it might be possible to improve analyses of phylogenomic datasets by incorporating information about protein structure; we test this idea using the position of the root of Metazoa (animals) as a model system. We examined the distribution of “strongly decisive” sites (alignment positions that support a specific tree topology) in a dataset comprising &gt;1,500 proteins and almost 100 taxa. The proportion of each class of strongly decisive sites in different structural environments was very sensitive to the model used to analyze the data when a limited number of taxa were used but they were stable when taxa were added. As long as enough taxa were analyzed, sites in all structural environments supported the same topology (ctenophores sister to other animals) regardless of whether standard tree searches or decisive sites were used to select the optimal tree. However, the use of decisive sites revealed a difference between the support for minority topologies for sites in different structural environments; buried sites and sites in sheet and coil environments exhibited equal support for the minority topologies whereas solvent exposed and helix sites had unequal numbers of sites supporting the minority topologies. Given the plausible trees equal support for minority topologies is consistent with discordance among gene trees, making it possible the relatively slowly evolving buried (and sheet and coil) sites are giving an accurate picture of the true species tree as well as the amount of conflict among gene trees. Alternatively, the apparent support could reflect currently uncharacterized processes of molecular evolution. Regardless, it is clear that analyses of the deepest branches in the animal tree of life using sites in different structural environments are associated with a subtle data type effect that results in distinct phylogenetic signals.

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 effects of four cycles of recurrent selection on simple sequence repeat (SSR) marker allele frequencies and population structure were examined in the Maksimir 3 Synthetic (M3S) maize population (Zea mays L.). Genotyping of 32 plants from each cycle of selection at 38 SSR loci revealed that the mean number of alleles per locus and the mean expected heterozygosity were preserved over cycles of selection, indicating maintenance of sufficient genetic variability in the population needed for future genetic gain. Waples test of selective neutrality revealed that genetic drift was the main force in changing allele frequencies in the population. The proportion of selectively nonneutral loci in single cycles of selection varied between 16% and 37%. Some nonneutral loci shared the same genomic locations with previously published QTLs controlling important agronomic traits. Between 5% and 29% of loci were found to be in significant Hardy-Weinberg (HW) disequilibrium with the majority showing an excess of homozygosity. Excess of homozygosity at several loci was highly consistent across cycle populations suggesting positive assortative mating as the possible cause of the observed HW disequilibrium. Linkage disequilibrium (LD) tests revealed that the M3S population was essentially in linkage equilibrium. The proportion of pairs of loci in significant LD varied across cycles of selection between 0.1% and 1.8% probably due to the effects of genetic drift and epistatic selection.

The welding performance of shipbuilding steel under large heat input could be improved greatly by the Mg addition to the steel, but the impact toughness of the HAZ is not stable. According to the three different thickness steel plates obtained in the industrial experiment, the large heat input welding was carried out by different heat input, and the impact toughness analysis, impact fracture analysis, metallographic microstructure analysis and inclusions analysis were carried out. The results showed that, the HAZ of three kinds of thickness plates induced a lot of IAF, with Mg addition, the inclusion dimension had been reduced effectively, and the IAF induced ability of the inclusions had also been improved. The difference of HAZ impact toughness with different welding heat input and different impact temperature is significant, in consideration of the influence of welding heat input and metallographic microstructure on impact toughness of HAZ, the welding heat load had far greater effect than metallographic microstructure on ductile-brittle transition temperature. At the same time, if the original metallographic microstructure of steel was coarse, the pinning effect of the inclusions would be reduced significantly, and the microstructure of HAZ would be coarsened and the impact toughness of HAZ would be decreased, so there is a certain matching relationship between the metallographic microstructure and the inclusion dimension.

The complexity of objects and control systems increases the requirements for mathematical models. The structural identifiability (SI) assessment of nonlinear systems is one of the identification problems. Until now, this problem solves by parametric methods using various approximation methods. This approach is not always effective under uncertainty. We apply an approach to SI estimation based on the analysis of virtual structures. The requirements form for the system input based on the expansion of the excitation constancy property and S-synchronizability. The approach generalization to structural identifiability used in the analysis of systems with symmetric nonlinearity is given. homothety and identifiability conditions for systems with non-symmetric nonlinearities (SNN) obtained. The detectability and recoverability proofed for virtual frameworks (VF) guaranteed the SI estimation under uncertainty. The conditions under which the non-symmetric nonlinearity is hypothetical symmetric nonlinearity obtained. SI estimation examples considered for closed nonlinear systems under uncertainty.

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.

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.

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

This study aims to investigate the spectroscopic and structural properties of the compound Lumefantrine which is important in pharmacology because of its anti-malarial effect. The structural and spectroscopic properties of this molecule such as bond lengths, bond angles, FT-IR and NMR spectra were handled computationally using a computational chemistry suite: Spar-tan’14. Both HF and DFT methods were used with different basis sets for the calculations. The re-sults calculated by the software were compared to experimental results from the literature. Both Computational and experimental results were exhibited as tables. Also some calculated results such as HOMO-LUMO boundary orbitals and electrostatic potential map, were given as graphics and pictures.

Antimicrobial resistance is an increasing problem for the global public health. One of the strategies to combat this issue is the synthesis of novel antimicrobials through rational drug design based on extensive structure-activity relationship studies. The thiazole nucleus is a prominent feature in the structure of many authorized antimicrobials, being clubbed with different heterocycles. The purpose of this review is to study the structure-activity relationship in antimicrobial thiazoles clubbed with various heterocycles reported in the literature between 2017 and 2022, in order to offer an overview of the last years in terms of antimicrobial research and provide a helpful instrument for future research in the field.

Corona viruses hijack human enzymes to assembly sugar coat on Spike glycoproteins. The mechanism that human antibodies may uncover the antigenic viral peptide epitopes hidden by sugar coat are unknown. In this study, we analyzed recombinant SARS-CoV-2 Spike protein secreted from BTI-Tn-5B1-4 cells, by trypsin and chymotrypsin digestion followed by mass spectrometry analysis. We acquired MS/MS spectrums for glycopeptides of all 22 predicted N-glycosylated sites. We further analyzed the surface accessibility of Spike proteins according to Cryo-EM and homolog-modeled structures, and available antibodies that bind to SARS-CoV-1. The results showed that all 22 N-glycosylated sites of SARS-CoV-2 are modified by high-mannose type of N-glycans. MS/MS fragmentation clearly established the glycopeptide identities. Electron densities of glycans cover most of the Spike receptor binding domain of SARS-CoV-2, except YQAGSTPCNGVEGFNCYFPLQSYGFQPTNGVGYQ, similar to a region FSPDGKPCTPPALNCYWPLNDYGFYTTTGIGYQ in SARS-CoV-1. Other surface-exposed domains included those located on Central Helix, between amino acids 967 and 1016 of SARS-CoV-1, and 985 to 1034 of SARS-CoV-2 Spike protein. As the majority of antibody paratopes bind to peptide portion with or without sugar modification, we propose a snake-catcher model that a minimal length of peptide is first clamped by a paratope, and the binding is either strengthened by sugars close to peptide, or not interfered by sugar modification.

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

In this paper, the nanoscale dissipative mechanisms of a Cu pad in a Ball Grid Array (BGA) packaging structure during isothermal ageing and uniaxial tension were investigated by the molecular dynamics (MD) method and experiments. From the result of the isothermal ageing test, a nonuniform consumption of Cu and large amount of Kirkendall voids were observed at the interface of Cu and Cu₃Sn. To study the effect of pressure and orientation on this phenomenon, MD simulations were conducted on four types of Cu-Cu₃Sn interface structures with different orientations of Cu. By comparing the diffusion coefficients of atoms in those cases, it was found that the tensile stress would inhibit the diffusion of atoms, whereas compressive stress would accelerate it, and this would be more significant under a larger magnitude of stress and temperature. Note that, in the model with the (101) surface Cu at the interface, both Cu and Cu₃Sn have a higher diffusion coefficient compared with the model with (001) surface Cu. Thus, the orientation of Cu will also contribute to the uniform consumption of the pad. Uniaxial tension simulation combined with DXA and CSP analyses on those models also shows the model with (001) surface Cu has a greater mechanical reliability in our simulations and related experiments.

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

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

In this 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.

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

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

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

The microstructure evolution, superplasticity, and room temperature mechanical properties of Ti-4%Al-1%V-3%Mo alloys modified with 0.01-2 wt.% boron were investigated. Increasing the boron content from 0 to 0.1 wt.% effectively refined prior β-grains, reducing a mean grain size from ~700 µm to ~210 µm. Whiskers of the TiB phase with a size in a range of 0.7-2.9 µm were observed after solidification and thermomechanical processing. Alloys with 0.01-0.1 wt.% boron exhibited similar superplastic elongations and strain rate sensitivity coefficient m of 0.4-0.5 at a strain rate of 1×10-3 s-1 and the elongation to failure decreased from 1000% at 875°С to 400-500% at 700°С. Along with this, the minor boron addition effectively decreased flow stress values, especially at 775 °C, that was explained by the acceleration of the recrystallization and globularization of the microstructure at the initial stage of deformation. Recrystallization-induced decrease in yield strength from 770 MPa to 680 MPa was observed with an increase in boron content from 0 to 0.1 wt.%. Heat treatment increased post-forming strength characteristics for the alloys with 0.01-0.1 wt.% boron by 90–140 MPa without ductility reduction. Alloys with 1-2 wt.% B demonstrated the opposite behavior. The grain refinement effect was not revealed, and prior β grain sizes were ~670-750 µm after solidification. Thermomechanical processing promoted the fragmentation of boride whiskers and the formation of near-spherical particles with a size of ~1 μm for the alloy with a eutectic concentration of 2 wt.% B. A high fraction of borides, ~5-11%, in the alloys with 1-2 wt.% B deteriorated the superplastic properties and drastically decreased ductility at room temperature. The alloy with 2 wt.% B demonstrated non-superplastic behavior and a low level of mechanical properties, meanwhile, the alloy with 1% boron exhibited high-temperature superplasticity at 875 °C with elongation of ~500%, and yield strength of 830 MPa, ultimate tensile strength of 1020 MPa at a room temperature after 100% of superplastic deformation.

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

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

We used ab initio molecular dynamics simulations to compare the activation of 2-propanol on the low index Co3O4 (111), (110) and (001) surfaces in dry conditions. The thermal and surface assisted decomposition of a film of 2-propanol to 2-propoxide on the B-termination of each surface was monitored and analyzed. The investigations suggest an activity order of Co3O4 (111) > (110) > (001). On the B-terminated (111) surface, full dissociation of all 2-propanol molecules at the interface is observed, accompanied by a Mars-van Krevelen-type mechanism upon hydroxylation of the surface. On the (110) surface, 2-propanol dissociation is driven by temperature, which activates the two-fold coordinatively unsaturated surface oxygens. The (001) surface on which almost no dissociation occurs is the least active. No formation of acetone is observed in the simulations conditions.

In the present work, the interactions between hydrocortisone and cyclodextrins were investigated. The cyclodextrins selected for this study were hydroxypropyl-α-cyclodextrin, hydroxypropyl-β-cyclodextrin and hydroxypropyl-γ-cyclodextrin. The study was carried out using density measurements, 1H-NMR and FT-IR spectroscopy. Preliminary studies show that hydroxypropyl-α-cyclodextrin has a low affinity for hydrocortisone, while hydroxypropyl-β-cyclodextrin and hydroxypropyl-γ-cyclodextrin have a good affinity for hydrocortisone in both solid state and solution. The study was carried out at two temperatures: 298.15 K and 310.15 K. The results suggest that at both temperatures, the system 2-HP-β-CD + HC induces an increase in the solvent structure, with increasing the solute concentration in the solution, while on the contrary the system 2-HP-γ-CD + HC induces a decrease in the solvent structure when the concentration of the solute in the system increases.

The chemical graph theory is a subfield of mathematical chemistry which applies classic graph theory to chemical entities and phenomena. Chemical graphs are main data structures to represent chemical structures in cheminformatics. Computable properties of graphs lay the foundation for (quantitative) structure activity and structure property predictions - a core discipline of cheminformatics. It has a historic relevance for natural sciences, such as chemistry, biochemistry and biology, and is in the heart of modern disciplines, such as cheminformatics and bioinformatics. This review first covers the history of chemical graph theory, then provides an overview of its various techniques and applications for CASE, and finally summarises modern tools using chemical graph theory for CASE.

This study analyzes the influence of CEO types on corporate governance, focusing on de facto (substantial) CEOs. We examine how substantial CEOs impact ESG activities (Hypothesis 1) and corporate value (Hypothesis 2). Data were collected from KIS-VALUE and DART (Electronic Disclosure System) of the Financial Supervisory Service, defining substantial CEOs as highest remuneration recipients exceeding the representative director of the company pay. Results sup-port Hypothesis 1, showing companies with substantial CEOs are more engaged in ESG activities, potentially to improve public image while concealing self-serving behaviors. Hypothesis 2 is validated, indicating lower corporate value in companies with substantial CEOs due to prioritizing personal interests over long-term profit maximization. Despite limitations in exploring governance relationships beyond remuneration data, the study offers key contributions. It expands research on corporate governance and ESG activities by identifying substantial CEOs through objective remuneration data. It highlights the importance of an independent board for transparent governance and positive corporate value. Lastly, empirical evidence shows the negative impact of misdirected ESG activities on corporate value. By using remuneration as an indicator, this study illuminates substantial CEOs' influence on corporate value and ESG activities, providing insights for future research in corporate governance and ESG.

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.

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

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

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

Seepage erosion is one of the main reasons for the local collapse or instability of embankments. To investigate the characteristics and mechanism of seepage erosion for cohesionless soils, the model tests by using an independently developed seepage erosion device and the numerical simulations based on the Discrete Element Method-Computational Fluid Dynamics (DEM-CFD) coupling model were carried out. The results show that the seepage erosion process of the cohesionless soil can be characterized by four stages: stable seepage stage, fine particles upward migration stage, sand samples boiling stage, and erosion damage stage. The skeleton structure of soil sample under seepage flow is continually changed due to the loss of fine soil particles, which results in a significant decrease in the sample strength and may ultimately lead to the failure of the sample. The results of this study can provide references and bases for the design, construction, and long-term service of embankments or earth dams under the complex seepage condition, reducing the risk of seepage erosion.

Given the documented wave-induced damage of elevated coastal decks during extreme natural hazards (e.g. hurricanes) in the last two decades, it is of utmost significance to decipher the wave-structure-interaction of complex deck geometries and quantify the associated loads. Therefore, this study focuses on the assessment of solitary wave impact on open-girder decks that allow the air to escape from the sides. To this end, an arbitrary Lagrangian-Eulerian (ALE) numerical method with a multi-phase compressible formulation is used for the development of three-dimensional hydrodynamic models, which are validated against a large-scale experimental dataset of a coastal deck. Using the validated model as a baseline, a parametric investigation of different deck geometries with a varying number of girders Ng and three different widths, was conducted. The results reveal that the Ng of a superstructure has a complex role and that for small wave heights the horizontal and uplift forces increase with the Ng, while for large waves the opposite happens. If the Ng is small the wave particles accelerate after the initial impact on the offshore girder leading to a more violent slamming on the onshore part of the deck and larger pressures and forces, however, if Ng is large then unsynchronized eddies are formed in each chamber, which dissipate energy and apply out-of-phase pressures that result in multiple but weaker impacts on the deck. The decomposition of the total loads into slamming and quasi-static components, reveals surprisingly consistent trends for all the simulated waves, which facilitates the development of predictive load equations. These new equations, which are a function of Ng and are limited by the ratio of the wavelength to the deck width, provide more accurate predictions than existing empirical methods, and are expected to be useful to both engineers and researchers working towards the development of resilient coastal infrastructure.

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

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

By means of density functional theory (DFT) calculations, we have investigated the effect of hydrostatic pressure on the structural, electronic and elastic properties of the barium-doped silicon clathrate Ba8Si46 in the type-VIII structure (α phase). Physical properties are calculated under different conditions of pressure (0 GPa to 45 GPa) using the GGA-PBE functional, those calculations have been performed using the Cambridge serial total energy package CASTEP code within the Materials Studio package. Electronic properties have shown that the type-VIII Ba8Si46 has metal-like properties with a fundamental bandgap of 1 eV. Under pressure the fundamental bandgap increases slightly and the positions of the valence band maximum VBM and the conduction band minimum CBM remain unchanged. We found that the compound is mechanically stable under the pressure range, but this needs to be confirmed experimentally through synthesis, a comparison with the type-I and the guest-free counterparts has exhibited promising features for the type-VIII Ba8Si46.

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.

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.

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

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.

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

The radiosensitivity of biological systems is strongly affected by the system oxygenation. On the nanoscopic scale and molecular level, this effect is considered to be strongly related to the indirect damage of radiation. Even though particle track radiolysis has been the object of several studies, still little is known about the nanoscopic impact of target oxygenation on the radical yields. We present here an extension of the chemical module of the Monte Carlo particle track structure code TRAX, taking into account the presence of dissolved molecular oxygen in the target material. The impact of the target oxygenation level on the chemical track evolution and the yields of all the relevant chemical species is studied in water under different irradiation conditions: different linear energy transfer (LET) values, different oxygenation levels, and different particle types. Especially for low LET radiation, a large production of two highly toxic species (HO₂^• and O₂^•− ), which are not produced in anoxic conditions, is predicted and quantified in oxygenated solutions. The remarkable correlation between the HO₂^• and O₂^•− production yield and the oxygen enhancement ratio observed in biological systems suggests a direct or indirect involvement of HO₂^• and O₂^•− in the oxygen sensitization effect. The results are in agreement with available experimental data and previous computational approaches. An analysis of the oxygen depletion rate in different radiation conditions is also reported.

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.

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

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

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

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.

Bunyaviruses represent the largest group of RNA viruses, and are the causative agent of a variety of febrile and hemorrhagic illnesses. Originally characterized as a single serotype in Africa, the number of described bunyaviruses now exceeds over 500, with its presence detected around the world. These predominantly tri-segmented, single-stranded RNA viruses are transmitted primarily through arthropod and rodent vectors, and can infect a wide variety of animal and plants. Although encoding for a small number of proteins, these viruses can inflict potentially fatal disease outcomes, and have even developed strategies to suppress the innate antiviral immune mechanisms of the infected host. This short review will attempt to provide an overall description of the order Bunyavirales, describing the mechanisms behind their infection, replication and their evasion of the host immune response. Furthermore, the historical context of these virus will be presented, starting from their original discovery almost 80 years ago, to the most recent research pertaining to viral replication and host immune response.

Abstract: An Al-Co-Y diffusion coating was prepared on a TiAl alloy by pack cementation process at a low temperature range of 650-720 ℃. The influence of different activators and co-deposition temperatures on the coating’s microstructure and formation process, and high temperature oxida-tion performance was studied. The results showed that NaF was a more suitable activator for preparing the Al-Co-Y diffusion coating on TiAl alloy compared to NH4Cl and AlCl3. A more compact coating structure can be obtained when deposition was performed at 680 ℃ using NaF as the activator. The coating was mainly composed of a TiAl3 outer layer, a TiAl2 inner layer, and a thin Al-rich TiAl inter-diffusion layer. The growth of the coating exhibited a positive linear correlation between coating thickness increase and the square root of deposition time. The high-temperature oxidation tests showed that a dense scale mainly composed of Al2O3 and a small amount of TiO2 formed on the coating after oxidation at 950 ℃ for 100 h. The scale possessed excellent high-temperature oxidation resistance, with a parabolic rate constant of the oxidation weight gain approximately 4.9×10-3 mg2/cm4 h, which is lower than that of the TiAl substrate by about three orders of magnitude, and lower than that of the pure Al diffusion coating more than one order of magnitude.

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