Soil-structure interaction (SSI) could affect the seismic response of structures. Since liquid storage tanks are vital structures and must continue their operation under severe earthquakes, their seismic behavior should be studied. Accordingly, the seismic response of liquid storage tanks founded on half space soil is scrutinized under different earthquake ground motions. To better comparison, the six considered ground motions are classified based on their pulse like characteristics, into two groups, named far and near fault ground motions. To model the liquid storage tanks, the simplified mass-spring model is used and the liquid is modeled as two lumped masses known as sloshing and impulsive, and the interaction of fluid and structure is considered using two coupled springs and dashpots. The SSI effect, also, is considered using a coupled spring and dashpot. Besides, four types of soils are used to consider wide variety of soil properties. To this end, after deriving the equations of motion, the MATLAB programming is employed to obtain the time history responses. Results show that although the SSI effect leads to decrease the impulsive displacement, overturning moment and normalized base shear, the sloshing (or convective) displacement is not affected by such effects due to its long period.

The way people innovate and create new ideas and bring them to the market is undergoing a fundamental change from closed innovation to open innovation. Why and how do firms perform open innovation? Firms’ open innovation is measured through the levels of firms’ joint patent applications. Next, we analyze network structures and characters of firms’ joint patent applications such as betweenness and degree centrality, structure hole, and closure. From this research, we drew conclusions as follows. First, the structure of collaboration networks has both direct and indirect effects on firms’ innovative performance. Second, in the process of joint patent applications, there is a long tail phenomenon in networks of joint patent applications. Third, the number of patents and International Patent Classification (IPC) subclasses together constitute a meaningful measure of the innovation performance of firms.

This study was aimed to investigate the effect of capital structure on firms’ profitability with special emphasis on Ethiopian Large Private Manufacturing Firms using panel data of five consecutive years (2006/07-2010/11G.C). The secondary data sources (audited financial statements) have been collected from the randomly selected thirty three large private manufacturing firms in Ethiopia. Linear regression model has been employed to analyze the relationship between firms’ profitability and capital structure. Specifically, Random-effect Generalized Least Square of panel data regression model has been selected to empirically test the literature driven hypotheses. Finally, the findings of this study revealed that a significant positive relationship between firms’ profitability and total debt ratio which indicate firm’s capital structure.

Biomolecular structure drives function, and computational capabilities have progressed such that the prediction and computational design of biomolecular structures is increasingly feasible. Because computational biophysics attracts students from many different backgrounds and with different levels of resources, teaching the subject can be challenging. One strategy to teach diverse learners is with interactive multimedia material that promotes self-paced, active learning. We have created a hands-on education strategy with a set of fifteen modules that teach topics in biomolecular structure and design, from fundamentals of conformational sampling and energy evaluation to applications like protein docking, antibody design, and RNA structure prediction. Our modules are based on PyRosetta, a Python library that encapsulates all computational modules and methods in the Rosetta software package. The workshop-style modules are implemented as Jupyter Notebooks that can be executed in the Google Colaboratory, allowing learners access with just a web browser. The digital format of Jupyter Notebooks allows us to embed images, molecular visualization movies, and interactive coding exercises. This multimodal approach may better reach students from different disciplines and experience levels as well as attract more researchers from smaller labs and cognate backgrounds to leverage PyRosetta in their science and engineering research. All materials are freely available at https://github.com/RosettaCommons/PyRosetta.notebooks.

Cellular reprogramming of somatic cells towards induced pluripotency is a multistep stochastic process mediated by the transcription factors Oct4, Sox2, Klf4 and c-Myc (OSKM), which orchestrate global epigenetic and transcriptional changes. We performed a large-scale analysis of integrated ChIP-seq, ATAC-seq and RNA-seq data and revealed the spatiotemporal highly dynamic pattern of OSKM DNA binding during reprogramming. We found that OSKM show distinct temporal patterns of binding to different classes of pluripotency-related enhancers. Genes involved in reprogramming are regulated by the coordinated activity of multiple enhancers, which are sequentially bound by OSKM for strict transcriptional control. Based on these findings, we developed an unbiased approach to identify Reprogramming Inducible Enhancers (RIEs), constructed enhancer-traps and isolated cells undergoing reprogramming in real-time. We used a representative RIE taken from the Upp1 gene fused to GFP and isolated cells at different time points during reprogramming and found that they have unique developmental capacities as they are reprogrammed with high efficiency due to their distinct molecular signatures. In conclusion, our experiments have led to the development of an unbiased method to identify and isolate reprogrammable cells in real-time by exploiting the functional dynamics of OSKM, which can be used as efficient reprogramming biomarkers.

Presented study demonstrates the application of actual technologies and tools for the development of a large scale axial flux electricity generator. (1) Background: The specifics of its application – run-of-river site – predefine design requirements, close to wind turbine generator. An extensive study of available solutions is used as a start point for further concept development; (2) Methods: A step based methodology is defined for concept parameters assessment and feasibility study. It demonstrates the advantages of virtual prototyping when assessing various design parameters; (3) Results: Several simulations over built different virtual prototypes provide sufficient information to elaborate an improved design concept. Major result is a ready for detailed design concept, with defined major parameters and studied work behavior; (4) Conclusions: The major outcome is the presentation of the application of virtual prototyping in assessment of large structures, where physical prototyping is expensive and time consuming approach. Application of virtual prototyping at very early product development stage is an effective way to undertake efficient solutions towards the concept of the product.

Quenchbody (Q-body), a new type of fluorescent immunosensor, is an antibody fragment labeled with a fluorescent dye. When Q-body binds to its antigen, the fluorescence intensity increases. Highly sensitive detection of antigens by changes in fluorescence intensity is performed in a single step by mixing sample and reagent. In this study, to reveal the structural basis for Q-body, we solved the crystal structures of antigen-binding fragment (Fab) of an anti-osteocalcin antibody KTM219, which is applicable to Q-body, and its complex with the antigen osteocalcin C-terminal peptide (BGP-C7). Also, we solved the structure of a KTM219 Fab crystal grown in the presence of a fluorescent dye 5(6)-carboxytetramethylrhodamine (TAMRA), however, a tightly bound TAMRA was not found in the electron density map. We predicted the binding site of TAMRA by docking simulations. These results support the structural basis for the Q-body mechanism as follows. In the absence of the antigen, the fluorophore located near tryptophan residues is quenched in the hydrophobic pocket of the antigen binding site between VH and VL. In association with the competitive binding of the antigen, the fluorophore is released from the antigen binding pocket and emits fluorescence. The crystal structures of KTM219 Fab and the structural basis of Q-body would be useful for further development and improvement of Q-body fluorescent immunosensors.

As motor capacity and rated voltage increase, the demand for motor insulation also increases. Additionally, the electric field distribution at the end of a large-scale hydro generator is extremely non-uniform, and corona discharge readily occurs. This destroys the main insulation, which significantly affects the service life of electrical machinery. Thus, the regulation of the electric field concentration at the end of a large-scale hydro generator needs to be addressed. There are many problems in resistance–capacitance chain model research. Particularly, these models cannot accurately reflect the insulation, corona structure, and electric field distribution in electrical machinery. Additionally, the corner electric field and loss distributions cannot be obtained, leading to a higher calculation error. The electric field distribution at the motor end and the loss distribution were analyzed using the finite-element method. First, by applying the basic principles of electric circuits and electromagnetic field theory, we calculated the electric field distribution at the stator bar end. Second, a 3D model of the stator bar was built using Creo Parametric, yielding a model that is more closely related to the prototype wirebar model. Then, the potential, electric field, and loss distributions around the stator bar were simulated by using COMSOL simulation software. The effects of the circular arc corner, nonlinearity coefficient, anti-corona coating length, and resistivity of the stator bar on the electric field distribution at the motor end were explored.

The tunable work function of titanium dioxide (TiO₂) nanoparticles of various sizes was measured using the Kelvin Probe Force Microscopy (KPFM) technique. The analysis of the contact potential difference (CPD) across TiO₂ nanoparticles of different sizes revealed a clear relationship between nanoparticle size, surface roughness, and work function. The study observed work function values ranging from 4.49 eV to 4.57 eV for particle sizes between 3 nm and 85 nm, which were higher than those of bulk TiO₂, likely due to quantum confinement effects. Additionally, electrostatic force microscopy (EFM) measurements showed significant charge-trapping behavior within TiO₂ nanoparticles under different applied bias voltages. The optical analysis also revealed a quantum confinement-induced band gap of 3.35 eV, larger than that of bulk TiO₂, and distinct photoluminescence peaks at 383 nm and 403 nm, corresponding to near-band-edge excitonic emissions and defect-related states. By analyzing the conduction band (CB) and valence band (VB) of TiO₂ nanoparticles using KPFM, the CB and VB positions were calculated based on work function data and bandgap. The results indicated that as particle size increases, both CB and VB energies shift slightly towards lower values, where smaller nanoparticles exhibit larger band gaps and higher work functions.

Roof and roofings built to protect the housing and homeowner from undesirable rainwater, have been seen an important structural element throughout history in the entire of housing. In this research, structural and spatial relationships between building envelope with isolation from water in traditional housing architecture are analyzed. Roof, eaves and rain gutters which are isolation from water items were investigated according to shapes, slope direction, materials, carrier systems and covering materials. The qualification of the roofing, eave and rain gutter elements which are equipment elements related to the comfort of the building envelope and the extent of changes in these elements were examined at the traditional housing level. Exemplary, the traditional housing in the city of Trabzon in Turkey were selected. During the completion process of the working, detailed aims related to structure-health reinforcements were specified with the relevant literature review. The chart form has been developed for compilation of information about the general characteristics of the housing in the research area and the building-health reinforcements within the aim of the research. Exemplary houses were selected by external observation technique and the data obtained as a result of observations, interview and determinations related to general characteristics and building-health reinforcements of these housing were handled into a chart form. By evaluating the data obtained; harmony and contrasts in system level practices, the dimensional properties of the elements at the spatial level, the greatness and accuracy levels preferred in various fittings, the harmony and contrasts in the materials, dimensions and practices of the elements at the system and spatial level, harmony and contrasts of applications of new opportunities at the level of building-health reinforcements in traditional housing, conclusions were drawn to identify special and general situations at the level of building-health reinforcements and to obtain information about the comfort requirements of traditional housing. Nowadays, where the health of the building, which is mostly ignored, is gaining importance day by day, concrete and applicable solution data are presented and interpreted for new designs to be made in this direction.

Flexible wearable pressure sensors offer numerous benefits, including superior sensing capabilities, a lightweight and compact design, and exceptional conformal properties, making them highly sought after in various applications including medical monitoring, human-computer interaction, and electronic skin. Because of their excellent characteristics, such as simple fabrication, low power consumption, and short response time, capacitive pressure sensors have received widespread attention. As a flexible polymer material, polydimethylsiloxane (PDMS) is widely used in the preparation of dielectric layers for capacitive pressure sensors. The Young's modulus of the flexible polymer can be effectively decreased through the synergistic application of sacrificial template and laser ablation techniques, thereby improving the functionality of capacitive pressure sensors. In this study, a novel sensor was developed through a series of processes including sacrificial template method using NaCl microparticles, CO₂ laser ablation, and sandwiching a porous PDMS dielectric layer between two flexible electrodes to create a capacitive pressure sensor. The sensor demonstrates a sensitivity of 0.694 kPa-1 within the pressure range of 0-1 kPa, and can effectively detect pressures ranging from 3 Pa to 200 kPa. The sensor demonstrates stability for up to 500 cycles, with a rapid response time of 96ms and a recovery time of 118ms, coupled with a low hysteresis of 6.8%. Furthermore, our testing indicates that the sensor possesses limitless potential for use in detecting human physiological activities and signaling emergencies.

The microbial communities are closely related to the overall health and quality of soil, but studies on microbial ecology in apple-pear orchard soils are limited. In the current study, 28 soil samples were collected from three apple-pear orchards in northeastern China, and the composition and structure of fungal and bacterial communities were investigated by high-throughput sequencing. Molecular ecological network showed that the keystone taxa of bacterial communities were Actinobacteria, Proteobacteria, Gemmatimonadetes, Acidobacteria, Nitrospirae, and Chloroflexi, and the keystone taxa of fungal communities was Ascomycota. Mantel tests showed that soil texture and pH were important factors shaping soil bacterial and fungal communities, and soil water soluble organic carbon (WSOC) and nitrate nitrogen (NO3--N) were also closely related to soil bacterial communities. Canonical correspondence analysis (CCA) and variation partition analysis (VPA) analysis revealed that geographic distance, soil texture, pH, and other soil properties could explain 10.55%, 13.5%, and 19.03% of the overall variation of bacterial communities, and they explained 11.61%, 13.03%, and 20.26% of the overall variation of fungal communities, respectively. The key stone taxa of bacterial and fungal communities in apple-pear orchard soils and their strong correlation with soil properties could provide useful clues toward sustainable management of orchards.

This study investigated the aerodynamic performances of various trains with different nose shapes, using as design variables two angles α,β for the heads shape and the bluntness angle γ, without crosswind. The effect on aerodynamic performances, such as the train drag coefficient, pressure distribution along the train surface, flow structures around the train and the wake, head pressure pulse, were analyzed. The results indicate that the increase of the train nose length for flat shapes decreases the CD values by 21.47% and 19.11%, decreasing the high-pressure region in the leading head. The duck-nose configuration emerges as a compromise between drag reduction and nose length. Increasing the angle γ a further drag reduction of 8.5% is featured. Drag formation along the train is also analyzed. The steeper the variation of the geometry, the higher the peak intensity and the slope of the curve. Regarding the flow features around the train, two-main counter-rotating vortices are captured in the wake. Moreover, the higher the nose length and the higher the bluntness angle γ, the weaker and narrower the wake. Again, a longer nose shape yields to a softer jump in terms of pressure difference, crucial for train homologation and safety.

Objective To explore the endoscopic anatomical structures of lumbar surgery. Methods A total of 290 patients who underwent lumbar endoscopic surgery due to lumbar intervertebral disc (IVD) herniation from September 2020 to September 2022 were retrospectively reviewed in our hospital,179 patients had complete surgical video recordings, including 108 males and 71 females, aged from 19 to 65 years, with an average age of 41±16 years. The endoscopic structures through the intervertebral foramen and interlaminar space were independently identified by 3 doctors with more than 3 years of related surgery experience. When there were differences of opinions, the three doctors would discuss and come to a consensus. The probability, location, and neighboring structures of each specific structures were statistically analyzed. Results The anatomical structures observed through the lumbar foramen under endoscopy include muscles and ligaments attached to the superior articular process (SAP), main blood vessels inside the intervertebral foramen, blood vessels on the surface of IVD, and blood vessels on the surface of the dural sac and nerve root. The major anatomical structures observed through interlaminar space are multifidus, the conjugated ligament of ligament flavum and capsule ligament (capsule part of flavum ligaments), edges of the lamina, specific vessel bundle to facet with exit nerve root. Conclusion The anatomical structures under spinal endoscopy have certain characteristics, which are grossly different from those under open surgery. Familiarity with these anatomical structures has important clinical significance.

Although some alternative metrics have been proposed in classical gravity, the singularity problem remains unresolved perfectly. To satisfy the super-gravitational requirement of a black hole without singularities, we propose some possible finite-size structure to avoid the confused one. In this research, the degenerate Fermi electron gas is first used to reveal that the Fermi electron gas cannot shrink to a point regardless of how much energy it obtains; therefore, the singularity existing at the center becomes very unreasonable. To avoid these problems, a finite-size nucleus of the black hole is proposed and explained by the behaviors of the Fermi electron gas and Fermi neutron gas for this finite-size nuclear model. We construct the Kerr-Newman black hole by using a non-rotating but charged finite-size nucleus, a compact-like star, which is surrounded by counter-rotating and corotating electrons. Based on this model, the super-gravity the same as the one from a black hole is presented, and the speed of light observed at far-away places can be nonzero at the event horizon.

With the burgeoning growth of online retail, the issue of counterfeit products has become a significant threat to both consumer trust and brand integrity, posing challenges to sustainable market practices. Online retail platforms are promoted to redesign their channel structures and enhance brand traceability to tackle counterfeits using blockchain technology. To investigate the interactions between blockchain technology and the channel structures of online retail platforms, we design a game theory model incorporating a manufacturer with(out) blockchain participation selling products via an online retail platform that operates an agency channel and/or a reselling channel. We show that the critical trade-off of blockchain participation comprises the brand assurance effect of the blockchain, the channel competition intensification effect, and the blockchain adoption cost. The platform is capable of strategically designing the channel structure to encourage (while discouraging) blockchain participation by the manufacturer. Our analysis highlights the complementarity between blockchain participation and the channel structure. Furthermore, the effect of the consumer’s belief in the reselling channel, the commission fee in the agency channel, and the substitutability between channels are investigated in depth. The research provides valuable insights for online retail platforms and policymakers seeking to foster a sustainable and trustworthy e-commerce ecosystem.

As the understanding of natural gas hydrates as a vast potential resource deepens, their importance as a future clean energy source becomes increasingly evident. However, natural gas hydrates tend to secondary generation during extraction and transportation, leading to safety issues such as pipeline blockages. Consequently, developing new and efficient natural gas hydrate inhibitors has become a focal point in hydrate research. Kinetic Hydrate Inhibitors (KHIs) offer an effective solution by disrupting the nucleation and growth processes of hydrates without altering their thermodynamic equilibrium conditions. This paper systematically reviews the latest research progress and development trends of KHIs for natural gas hydrates, covering their development history, classification, and inhibition mechanisms. It particularly focuses on the chemical properties, inhibition effects, and mechanisms of polymer inhibitors such as polyvinylpyrrolidone (PVP) and polyvinylcaprolactam (PVCap). Studies indicate that these polymer inhibitors provide an economical and efficient solution due to their low dosage and environmental friendliness. Additionally, this paper explores the environmental impact and biodegradability of these inhibitors, offering guidance for future research, including the development, optimization, and environmental assessment of new inhibitors. Through a comprehensive analysis of existing research, this work aims to provide a theoretical foundation and technical reference for the commercial development of natural gas hydrates, promoting their safe and efficient use as a clean energy resource.

Oxidation of a mixture of nonlabelled (14N2H4) and 15N labeled (15N2H4) hydrazine in aqueous solutions produces 14N15N molecules, indicating the intermediate existence of N4H6 or N4H4 dimers with subsequent transfers of H atoms and splitting of lateral N-N bonds. To explain the key part of hydrazine oxidation reaction, the structures, thermodynamics, and electron characteristics of N4H4 molecules in aqueous solution are investigated at CCSD/cc-pVTZ level of theory. We have not found any spontaneous splitting of the bond between lateral nitrogen atoms in tetrazenes N4H4 during geometry optimization. The most probable N4H4 oxidation products are H2N-NH2 and N2, which are obtained by splitting the bond between central nitrogen atoms and so only 15N2 and 14N2 molecules are formed. Additionally, the formation of H3N-NH and N2 oxidation products is also preferred to structures without any N-N fissions. The formation of H2N=N and HN=NH reaction products is energetically less advantageous. Cyclo-N4H4 structures are stable, without any N-N fissions, but their very high Gibbs energies indicate their vanishing abundance in aqueous solution, so their involvement in hydrazine oxidation is highly improbable. Hydrazine oxidation to 14N15N molecules cannot be explained by tetrazene N4H4 intermediates.

In this work, we introduce the first pipeline that combines a refraction-aware Structure-from-Motion (SfM) method with a deep learning model specifically designed for airborne bathymetry. We accurately estimate the 3D positions of the submerged points by integrating refraction geometry within the SfM optimization problem. This way, no refraction correction as post-processing is required. Experiments with simulated data that approach the real-world capturing conditions demonstrate that SfM with refraction correction is extremely accurate, with submillimeter errors. We integrate our refraction-aware SfM within a deep learning framework that also takes into account radiometrical information, developing a combined spectral and geometry-based approach, with further improvements on accuracy and robustness to different seafloor types, both textured and textureless. We conducted experiments with real-world data at 2 locations in the southern Mediterranean Sea, with varying seafloor types which demonstrate the benefits of refraction correction for the deep learning framework. We open-source our refraction-aware SfM, providing researchers in airborne bathymetry with a practical tool to apply SfM in shallow water areas.

CO2 geological sequestration in coal seams can achieve the dual objectives of CO2 emission reduction and enhanced coalbed methane production, making it a highly promising carbon capture and storage technology. However, the injection of CO2 into coal reservoirs in the form of supercritical fluid (ScCO2) leads to complex physicochemical reactions with the coal seam, altering the properties of the coal reservoir and impacting the effectiveness of CO2 sequestration and methane production enhancement.In this paper, theoretical calculations based on ReaxFF-MD were conducted to study the interaction mechanism between ScCO2 and the macromolecular structure of both low-rank and high-rank coal, to address the limitations of experimental methods. The reaction of ScCO2 with low-rank coal and high-rank coal exhibits significant differences. At swelling stage, the low-rank coal experiences a decrease in aromatic structure and aliphatic structure, high-rank coal shows an increase in aromatic structure and a decrease in aliphatic structure, while swelling phenomenon is more pronounced in high-rank coal. At dissolution stage, low-rank coal is initially decomposed into two secondary molecular fragments, and then recombine to form new molecular structure, the aromatic structure increased and the aliphatic structure decreased. In contrast, high-rank coal occurs stretches-breakage-movement-reconnection, a reduction in aromatic structure and an increase in aliphatic structure.The primary reasons for these variations lie in distinct molecular structure compositions and the properties of ScCO2, leading to different reaction pathways of functional group and aromatic structure. The reaction pathways of functional groups and aromatic structures in coal can be summarized as follows: the breakage of the O-H bond in hydroxyl groups, the breakage of the C-OH bond in carboxyl groups, transformation of aliphatic structures into smaller hydrocarbon compounds or formation of long-chain alkenes, and various pathways involving broken, rearrangement, recombination of aromatic structures. In low-rank coal, there is a higher abundance of oxygen-containing functional groups and aliphatic structures. The breakage of O-H and C-OH chemical bonds results in the formation of free radical ions, while some aliphatic structures detach to produce hydrocarbons. Additionally, some of these aliphatic structures combine with carbonyl groups and free radical ions to generate new aromatic structures. Conversely, in high-rank coal, the lower content of oxygen-containing functional groups and aliphatic structures, along with stronger intramolecular forces, results in fewer chemical bond breakages and makes it less conducive to the formation of new aromatic structures.These results elucidate the specific deformations of different chemical groups, offering a molecular-level understanding of the interaction between CO2 and coal.

In this paper, the mechanism of combined process of ion beam sputtering (IBS) and HF acid etching on the chemical structure defects of fused silica and its laser damage resistance perfor-mance were investigated. During the removal process of surface material, the sputtering effect causes lattice atoms to detach from their original positions, forming a large number of unsaturated structures on silica surface, which improves the chemical activity of Si and O atoms, accelerates the chemical reaction process between surface atoms and water molecules, increases the content of hydroxyl (OH-) groups in the shallow layer, and enhances the photothermal weak absorption intensity. However, the presence of OH- groups reduces the bonding strength of Si-O, destroys the spatial network structure of silica bulk, and reduces the mechanical strength of silica surface, resulting in a decrease in its laser damage resistance performance. The paper reveals for the first time the mechanism of IBS to change the structure characteristics of silica material, accelerate the surface hydroxylation process, and thereby reduces the laser damage resistance performance. This work provides technical guidance for effectively suppressing chemical structure defects on silica surface and improving laser damage resistance performance of optical components under high-flux laser irradiation.

The superconductivity of CaC6 as a function of pressure and of abundant Ca isotopes is revisited using DFT calculations on a 2c – double hexagonal superlattice. The introduction of superlattices is motivated by previous synchrotron absorption and Raman spectroscopy results on other superconductors that show evidence of superlattice vibrations at low (THz) frequencies. A 2c superlattice for CaC6 is illustrative of atomic orbital symmetry and periodicity, including bonding and antibonding s-orbital character implied by cosine modulated electronic bands. Inspection of the cosine band reveals that the cosine function has a small (meV) energy difference between bonding and antibonding regions relative to a midpoint non-bonding energy. Fermi surface nesting is apparent in an appropriately folded Fermi surface using a superlattice construct. Nesting relationships identify phonon vectors for conservation of energy and for phase coherency between coupled electrons at opposite sides of the Fermi surface. Detailed analysis of this Fermi surface nesting provides accurate estimates of the superconducting gaps for CaC6 with change in applied pressure. Recognition of superlattices within a rhombohedral or hexagonal representation provides consistent mechanistic insight on superconductivity and electron−phonon coupling in CaC6.

Asymmetric lithium salts, such as Lithium (difluoromethanesulfonyl)(trifluoromethanesulfonyl)imide (LiDFTFSI), have been demonstrated to surpass traditional symmetric lithium salts with improved Li+ conductivity and the capacity to generate stable solid electrolyte interphase (SEI) while maintaining compatibility with aluminum (Al0) current collector. However, the intrinsic reductive mechanism through which LiDFTFSI influences battery performance remains unclear and under debate. Herein, the detailed SEI reactions of LiDFTFSI-based electrolytes were investigated by combining density functional theory and molecular dynamics, aiming to clarify the formation process and atomic structure of SEI. Our results show that asymmetric DFTFSI– weakens the interaction between carbonate solvents and Li+, and substantially alter the solvation structure, exhibiting a well-balanced coordination capacity to bis(trifluoromethanesulfonyl)imide (TFSI–). Nanoseconds hybrid molecular dynamics simulation further reveals that the preferential decomposition of LiDFTFSI produces sufficient LiF and Li2O to facilitate a robust SEI. Moreover, the abundant F– generated from LiDFTFSI decomposition accumulates on the Al surface and subsequently combines with Al3+ from the current collector to form AlF3, potentially inhibiting corrosion of the current collector. Overall, these findings elucidate how LiDFTFSI regulates the solvation sheath and SEI structure, advancing the development of high-performance electrolytes compatible with current collector.

Verifying the accuracy of a 3D-printed object involves using an image processing system. This system compares images of the CAD model of the object to be printed with its 3D-printed counterparts to identify any discrepancies. It is important to note that the integrity of the accuracy measurement is heavily dependent on the image processing settings chosen. This study focuses on this issue by developing a customized image processing system. The system generates binary images of a given CAD model and its 3D-printed counterparts and then compares them pixel-by-pixel to determine the accuracy. Users can experiment with various image processing settings, such as grayscale to binary image conversion threshold, noise reduction parameters, masking parameters, and pixel-fineness adjustment parameters, to see how they affect accuracy. The study concludes that the grayscale to binary image conversion threshold has the most significant impact on accuracy and that the optimal threshold varies depending on the color of the 3D-printed object. The system can also effectively eliminate noise (filament marks) during image processing, ensuring accurate measurements. Additionally, the system can measure the accuracy of highly complex porous structures where the pores size, depth, and distribution are random. The insights gained from this study can be used to develop intelligent systems for the metrology of additive manufacturing.

Organic solar cells are contributing extensively to the production of future large area and cost-effective sources of renewable energy with a compact environmental impact. Moreover, due to tunable optical properties of the active medium, the semi-transparent organic solar cell can be fabricated and become a promising nominee for building Integrated Photovoltaics (BIPV), vehicles, and mobile electronic devices. Therefore, three newly synthesized polymers used as were host materials for the active medium and blended with beetroot dye. Hence, based on BHJ structure two ternary systems have been constructed and utilized to fabricate semitransparent solar cells and characterized. The results show that the natural dye has a crucial impact on solar cell characteristic parameters. Consequently, large value of V_OC close to 1V were obtained for ternary systems and acceptor material named PINDOLE exhibits potentials for electron transport layer (ETL) and shows an improvement in both fill factor and device efficiency.

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

DNA Topoisomerase IIa (Top2A) is a nuclear enzyme that is a cancer drug target, and there is interest in identifying novel sites on the enzyme to inhibit cancer cells more selectively and to reduce off-target toxicity. The C-terminal domain (CTD) is one potential target, but it is an intrinsically disordered domain, which prevents structural analysis. Therefore, we set out to analyze the sequence of Top2A from 105 species using bioinformatic analysis including the PSICalc algorithm, entropy analysis, and other approaches. Our results demonstrate that large (10th-order) interdependent clusters are found including non-proximal positions across the major domains of Top2A. Further, CTD-specific clusters of 3rd, 4th, and 5th-order were identified that included positions that had been previously analyzed via mutation and biochemical assays. Some of these clusters coincided with positions that when mutated either increased or decreased relaxation activity. Finally, sites of low entropy (i.e., high information content) were identified and mapped as key positions in the CTD. Included in the low entropy sites are phosphorylation sites and charged positions. Together, these results help to build a clearer picture of the critical positions in the CTD and provide potential sites/regions for further analysis.

Atmospheric turbulence characteristics are essential in determining the quality of astronomical images and implementing adaptive optics systems. In this study, the vertical distributions of optical turbulence at the Peak Terskol observatory (43.27472 ° N 42.50083 ° E, 3127 m a.s.l.) using the Era-5 re-analysis and scintillation measurements are investigated. For the closest reanalysis grid node to the observatory, vertical profiles of the structural constant of the air refractive index turbulent fluctuations Cn2 were obtained. The calculated Cn2(z) vertical profiles are compared with the vertical distribution of turbulence intensity obtained from tomographic measurements with Shack-Hartmann sensor. The atmospheric coherence length at the location of Terskol Peak was estimated. Using combination of atmospheric models and scheme paramaterization of turbulence, Cn2(z) profiles at Mt. Kurapdag were obtained. The values of atmospheric coherence length at the Peak Terskol are compared with estimated values of this length at the ten astronomical sites including Ali, Lenghu and Daocheng.

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.

Ajuga arabica is an essential medicinal plant found naturally in Saudi Arabia, recognized for its therapeutic characteristics. Nevertheless, research on the genetic diversity and population arrangement of this species in Saudi Arabia is deficient. In this study, we conducted a comparative examination of DNA and gene sequences to evaluate the genetic diversity and population configuration of Ajuga arabica in Saudi Arabia. Our findings demonstrate that there are high levels of genetic diversity within populations, but low levels of genetic differentiation among populations. Moreover, we discovered proof of gene flow among populations, suggesting that there are no significant genetic barriers to gene flow. Our results offer valuable insights into the genetic diversity and population structure of Ajuga arabica in Saudi Arabia, which can support conservation efforts and promote the sustainable use of this valuable medicinal plant.

The structural, elastic, and electronic properties of orthorhombic Cd2SiO4 and Hg2GeO4 were examined under varying pressure conditions using first-principles calculations based on densi-ty-functional theory employing the projector augmented wave method. The obtained cell pa-rameters at 0 GPa were found to align well with existing experimental data. We delved into the pressure-dependence of normalized lattice parameters and elastic constants. In Cd2SiO4, all lat-tice constants decreased as pressure increased, whereas in Hg2GeO4, parameters a and b de-creased while parameter c increased under pressure. Employing the Hill average method, we calculated the elastic moduli and Poisson’s ratio up to 10 GPa, noting an increase with pressure. Evaluation of ductility/brittleness under pressure indicated both compounds remained ductile throughout. We also estimated elastic anisotropy and Debye temperature under varying pres-sures. Cd2SiO4 and Hg2GeO4 were identified as indirect band gap insulators, with estimated band gaps of 3.34 eV and 2.09 eV, respectively. Interestingly, Cd2SiO4 exhibited a significant increase in band gap with increasing pressure, whereas the band gap of Hg2GeO4 decreased under pres-sure, revealing distinct structural and electronic responses despite their similar structures.

A systematic study has been conducted on barbiturate complexes of all five alkali metals Li–Cs prepared from the metal carbonates or hydroxide in aqueous solution without other potential ligands present, varying the stoichiometric ratio of metal ion to barbituric acid (BAH). Eight polymeric compounds (two each for Na, K, and Rb and one each for Li and Cs) have been characterised by single-crystal X-ray diffraction. All contain some combination of barbiturate anion BA− (necessarily in a 1:1 ratio with the metal cation M+), barbituric acid, and water. All organic species and water molecules are coordinated to the metal centres via oxygen atoms as either terminal or bridging ligands. Coordination numbers range from 4 (for the Li complex) to 8 (for the Cs complex). Extensive hydrogen bonding plays a significant role in all the crystal structures, almost all of which include pairs of N–H…O hydrogen bonds linking BA− and/or BAH components into ribbons extending in one dimension. Factors influencing the structure adopted by each compound include cation size and reaction stoichiometry as well as hydrogen bonding.

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

. 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.

Certain Trichoderma isolates provide biofertilizer, biocontrol, and other plant-beneficial activities while inhabiting the soil or internal plant issues; and their use in agricultural systems could contribute to sustainable food production. It is thought that this colonization of soil and internal plant tissues is fundamental for biocontrol and biofertilizer applications. Our collective analyses of prior surveys, where the tef1 sequence was almost exclusively used to identify Trichoderma species, showed that isolates from the Harzianum Complex Clade, the T. asperellum/T. asperelloides group, T. virens, T. hamatum, and T. atroviride were prevalent in soil and/or as endophytes. Population structure and genetic diversity of these species were investigated, and new lineages with geo-graphic significance within T. atroviride, T. asperellum, T. hamatum, and T. virens populations were found. The nearest relatives of some species were also revealed. Choosing isolates from among more than 500 known Trichoderma species for use in non-targeted evaluation screens for biocontrol or biofertilizer applications is time-consuming and expensive. Preferentially selecting species from T. atroviride, T. asperellum/T. asperelloides, T. hamatum, species from the T. harzianum Complex Clade, T. virens, and possibly nearest relatives, may speed the identification of candidates for commercialization due to the demonstrated ability of these species to successfully inhabit the soil and endorhizosphere. To our knowledge, this is the first report where dominant soil- and en-dophyte-inhabiting Trichoderma species were identified from past survey data and population structure and genetic diversity analyses conducted.

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 recent years, wireless power transfer (WPT) has progressed rapidly in both theory and commercialization abroad. However, existing research into WPT coil design for low-power devices is limited. This paper investigates coil structure using printed circuit board (PCB) for magnetic resonant coupling WPT to address this gap. Specifically, the impacts of key geometric parameters on the coil quality factor and coupling coefficient are analysed through models and simulations. Equivalent PCB coils were formed for mutual inductance models, and four basic compensation circuits were analysed. The impacts of changes in coil thickness, line width, turn spacing, and number of turns on the quality factor of PCB coils were analysed with a fixed outer diameter of the coil. In this paper, to mitigate the coil offset while retaining PCB manufacturing simplicity for practical uses, a dual layer PCB coil structure is proposed. The structure optimizated PCB coil could offer remarkable improvements in the WPT system for low power electronic devices.

Airworthiness certification requires proof of structure strength, which is performed generally through building block approach. To achieve this, representative intermediate scale experiments generated by test benches are in general needed, additionally to material characterization at coupons scale and structure testing at large scale. The VERTEX test bench can generate combined loading of tension/compression-shear-pressure on structural elements and was modelled with Finite Elements to perform virtual testing representative of its intermediate-scale specificity. The numerous bolted joints of the bench were modelled and their behavior identified in previous tests, so the model could quantitatively estimate the transfer function of the bench, which is the relation between the displacements imposed by the jacks and the resulting loads on a given sample. The VERTEX model was identified to represent load shapes and amplitudes on a training set, and was later confronted to a validation set of tests of tension and shear. A model with ideal boundary conditions was also developed for comparison but it failed to predict some load shape specificities and did not give any indication of loading amplitude. Application cases of the developed model are shown to assess a range of virtual testing possibilities.

In recent years, change in behaviour towards the environment has gained prominence as a policy tool to influence positive environmental value. Simultaneously, the role played by social identity in promoting pro-environmental action is gaining recognition. Within this work, the intersection between collective group identity and environmental behaviour has received very little attention. Group norms are considered a strong predictor of pro-environmental behaviour, yet the influence of social identity and collective action on environmental action has not been adequately investigated in a multi-ethnic setting. Within this context, this study examines the affective component of social identity influence on pro-environmental action. More succinctly, this study demonstrates how outgroups and in-groups’ relations and broader socio-cultural structures, values, interest, and norms impact environmental and sustainability transitions behaviours. Through interviews with participants across the four dominant social groups in South Africa, this study provides compelling evidence that country wide expressions of social identity and in-group dynamics shapes the individual behaviour regarding environmental and sustainability concerns and further strengthen the individual’s perspective for social environmental transformation. This study advances the need for a social-identity centred approach to foster pro-environmental and sustainability outcomes.

The results of the most recent investigation of triterpenoid-based antiviral agents effective namely in the HIV-1 and HSV-1 treatment were reviewed and summarized. Several key historical achievements are included to stress consequences and continuity in this research. Most of the agents studied belong into a series of compound derived from betulin or betulinic acid, and their synthetic derivative called bevirimat. A termination of clinical trials of bevirimat in the Phase IIb initiated a search for more successful compounds partly derived from bevirimat or designed independently of bevirimat structure. Surprisingly, a majority of bevirimat mimics are derivatives of betulinic acid, while other plant triterpenoids, such as ursolic acid, oleanolic acid, glycyrrhetinic acid or other miscellaneous triterpenoids, are relatively rarely involved in a search for novel antiviral agent. Therefore, this review article is divided into three parts based on the leading triterpenoid core structure.

A mixture of nonlabeled (14N2H4) and 15N labeled hydrazine (15N2H4) in an aqueous solution is oxidized to 15N2, 14N2, and 14N15N molecules, indicating the intermediate existence of the 14NH2-14NH-15NH-15NH2 with subsequent hydrogen transfers and splitting of side N-N bonds. Structures, thermodynamics, and electron characteristics of various N4H6 molecules in aqueous solutions are investigated using theoretical treatment at the CCSD/cc-pVTZ level of theory to explain the crucial part of the hydrazine oxidation reaction. Most N4H6 structures in aqueous solutions are decomposed during geometry optimization. Splitting the bond between central nitrogen atoms is the most frequent, but the breakaway of the side nitrogen is energetically the most preferred. The N-N fissions are enabled by suitable hydrogen rearrangements. Gibbs free energy data indicate the dominant abundance of NH3... N2... NH3 species. The side N atoms have very high negative charges, which should support hydrogen transfers in aqueous solutions. The only stable cyclo-(NH)4…H2 structure has a too high Gibbs energy and breaks the H2 molecule. The remaining initial cyclic structures are split into hydrazine and HN≡NH or H2N≡N species, and their relative abundance in aqueous solutions is vanishing.

Additive manufactured interlocking structures often face challenges in achieving suitable joinability due to thermal deformation. This issue becomes particularly interesting when fabricating structures that require high density but not fully connected layers, such as soft-magnetic materials. This study focuses on systematical investigation of the deformation as a function of finger thickness and building direction in model interlocking structure. In the perpendicular direction to the build plate, the distortions of joint part were significantly reduced due to lower thermal stress. In addition, the effect of laser power and scan speed on interlocking structure are systematically discussed. Additionally, through stress and thermal simulations of additive manufacturing process, it was confirmed that the compensated model can enhance the joinability of interlocking structures. These findings contribute to the development of optimal design for additive manufactured parts of soft magnetic materials such as stators in electric motor components, which needs insulations and density.

Although 4Ce4YSZ has high corrosion resistance, it faces challenges concerning sinterability and ionic conductivity. Therefore, we studied destabilization behavior caused by corrosion and oxygen vacancy ordering according to ZnO doping. The powders of (4Ce4YSZ)1-x(ZnO)x (x=0.5, 1, 2, 4 mol%) were synthesized through the sol-gel method. With the addition of ZnO, the cubic phase increased, and secondary phases were not observed. The (111) peak showed a higher angle shift in ZnO-doped 4Ce4YSZ compared to 4Ce4YSZ, and TEM-SAED revealed a reduction in the spacing of the (011)t plane, suggesting lattice contraction due to the substitution of the smaller Zn2+ (60 Å) for Zr4+ (84 Å) in the lattice. The local atomic structure analysis was conducted using EXAFS to investigate the oxygen vacancy ordering behavior. Zr K-edge Fourier-transform data revealed a decrease in the Zr-O1 peak intensity with an increasing amount o ZnO doping, indicating an increase in oxygen vacancies. The Zr-O1 peak position shifted to the right, leading to an increase in the Zr-O1 interatomic distance. In the Y K-edge Fourier-transform data, the Y-O1 peak intensity did not decrease, and there was little variation in the Y-O1 interatomic distance. These results suggest that the oxygen vacancies formed due to ZnO doping are located in the neighboring oxygen shell of Zn, rather than in the neighboring oxygen shells of Y and Zr. Impedance measurements were conducted to measure the conductivity, and as the amount of ZnO doping increased, the total conductivity increased, while the activation energy decreased. The increase in oxygen vacancies by ZnO doping contributed to the enhancement of conductivity and it is considered that these created oxygen vacancies did not interact with Zn2+ and did not form defect associations. Fluoride-based molten salts were introduced to the specimens to assess corrosion behavior in a molten salt environment. Yttrium depletion layers (YDLs) were formed on the surfaces of all specimens due to the leaching of yttrium. However, Ce remained relatively stable at the interface according to EDS line scans, suggesting a reduction in the phase transformation (cubic, tetragonal to monoclinic) typically associated with yttrium leaching in YSZ.

The structural identification (SI) problem of control objects has not been solved. The formalization and interpretation complexity of the structure concept is the main problem. In identification systems, the form of the model (its structure) choice is intuitive and bases on the experience and knowledge of the researcher in most cases. The task of parametric identification is often interpreted as SI. It introduces certain confusion in understanding of the task and decision-making. This is two different areas of research. The structural identification problem is multifaceted and includes many subtasks, and their solution gives the final result. Some tasks have been solved. The purpose of this work is to review existing approaches and methods to the structural identification problem of control objects from a system perspective. It is necessary to give the SI problem statement at the multiple-informational level to reflect the difficulties of formalizing SI. New directions to analyse that were not SI areas until now.

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 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.

Using the colloidal method, Au NP’s were deposited onto 6 different supports (TiO2,  and -Al2O3, HFeO2, CeO2, and C), and their catalytic activity and selectivity were compared in the alkylation of aniline by benzyl alcohol. Correlations were made between the nature of the support, the Au NP size and H-binding energy.

The reaction of 2-bromo-1-(5-methyl-1-(4-nitrophenyl)-1H-1,2,3-triazol-4-yl)ethan-1-one (1) with 4-amino-5-((2,4-dichlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol (2) in absolute ethanol in the presence of triethyl amine as catalyst gave 2-((4-amino-5-((2,4-dichlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-1-(5-methyl-1-(4-nitrophenyl)-1H-1,2,3-triazol-4-yl)ethan-1-one (3) in 73% yield. The structure of the title heterocycle (3) was confirmed by X-ray single crystal diffraction and spectral analyses (NMR and IR).

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.

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.

Wearable touch sensors, which can convert force or pressure signals into quantitative electronic signals, have emerged as an essential smart sensing devices and played an important role in various cutting-edge fields, including wearable health monitoring, soft robots, electronic skin, artificial prosthetics, AR/VR, and the Internet of Things. Flexible touch sensors have made significant advancements, while construction of novel touch sensors via mimicking the unique properties of biological materials and biogenetic structures always remains a hot research topic and significant technological pathway. This review provides a comprehensive summary of the research status of wearable touch sensors constructed by imitating the material and structural characteristics in nature, and also summarizes the scientific challenges and development tendency of this aspect. Firstly, the research status for constructing flexible touch sensors based on biomimetic materials is summarized, including hydrogel materials, self-healing materials, and other bioinspired or biomimetic materials with extraordinary properties. Then, design and fabrication of flexible touch sensors based on bionic structures for performance enhancement are fully discussed. These bionic structures include special structures in plants, special structures insects/animal, and special structures in human body. Moreover, a summary of the current issues and future prospects for developing wearable sensors based on bioinspired materials and structures is discussed.

Why do the eyes remain comparatively large whereas the cornea is reduced in most troglobiont mysids? Are there any important organ size-dependent functions served by non-visual eye rudiments? This issue was approached by measuring eye structures in five troglobiont species of Mysida and two Stygiomysida compared with 14 troglophile and 49 trogloxene Mysida species. The Organ of Bellonci (OB) was found in all Mysida and as first records also in Stygiomysida. The length of OBs increased with individual body length and eye length in four examined species: from postnauplioid larvae to adult stage in a troglophile and a trogloxene mysid species examined; and from juveniles to adults in a troglobiont mysid and a troglobiont stygiomysid. At the interspecific level, eye length was on average 26% shorter at a given body length while the OB was 40% longer at a given body length and 54% longer at a given eye length, respectively, in adult troglobionts compared with trogloxene mysids. The OB is clearly proliferating while the cornea is reduced in troglobionts. This points to sensory functions (possibly together with other functions). The sensory pore organ was found in all 15 Mysida species whose eyes were mounted on slides, and a first record of this organ was also found in Stygiomysida.

The magnetic properties of RCo3B2 compounds, with heavy rare earths, are investigated by using magnetic measurements and electronic structure calculations. The cobalt sublattice magnetizations are very small and antiparallel oriented to rare earths moments. Contributions of cobalt moments to the Curie constants were also shown. The cobalt magnetic behavior has been analyzed in spin fluctuations model. The presence of short-range order above the Curie temperatures in RCo3B2 compounds with R=Tb, Dy, and Ho has been attributed to reminiscent R5d-Co3d interactions.

In this work, a simple and environmentally friendly process combining low pressure (vacuum) and mechanical compression is proposed to convert recycled polypropylene (PP) foams (28 kg/m3) into low density foams (90-131 kg/m3) having negative tensile and compressive Poisson's ratios (NPR). The effect of processing conditions (vacuum time, temperature, and mechanical pressure) was studied. Based on the optimized conditions, the tensile Poisson’s ratio of the resulting auxetic foams reached −1.50, while the minimum compressive Poisson's ratios was −0.32 for the same sample. The foam structure was characterized via morphological analysis (SEM) to determine any changes related to the treatment applied. Finally, tensile and compressive properties (Young's modulus, strain energy, energy dissipation and damping capacity) are also presented and discussed. It was observed that the mechanical properties of the resulting auxetic foams were improved compared to the original PP foam (PP-O) for all tensile properties in terms of modulus (19.9 to 59.8 kPa), strength (0.298 to 1.43 kPa) elongation at break (28 to 77%), energy dissipation (14.4 to 56.3 mJ/cm3) and damping capacity (12 to 19%). Nevertheless, improvements were also observed under compression in terms of energy dissipation (1.6 to 3.6 mJ/cm3) and damping capacity (13 to 19%). These auxetic foams can find applications in sport and military protective equipment, as well as any energy mitigation system.

Bacterial phylogenetics has largely been determined via 16S rRNA gene sequencing and phylogenetic tree reconstruction. Observed utility of this approach has driven the popularity of the 16S rRNA gene amplicon metagenomics method for profiling and identifying diverse microbes from specific habitats. This work sought to develop universal primers for amplifying the 16S rRNA gene from a consortium of disparate microbial species. Using multiple sequence alignment of the 16S rRNA gene of a variety of microbes, the resulting highly conserved region of the consensus sequence was used for design of universal polymerase chain reaction (PCR) primers for 16S rRNA gene. Application of the universal primers in simulated PCR reveals poor amplification efficiency where only 12 species out of 31 generated an amplicon. BLAST analysis of the resulting amplicons reveals a classification error of 50%. More significantly, analysis of the amplicon length indicates variable read length ranging from 81 to 122 base pair compared to the predicted read length of 100 base pairs. This suggests that the 16S rRNA gene harbours significant hitherto underappreciated sequence diversity, and may have unknown alternative splicing and recombination mechanisms. Overall, results from this study suggests that primer design for 16S rRNA amplicon metagenomics may be application and habitat specific, where it is difficult to design universal primers for all bacterial species. Conceptually, this meant that there may be sequence co-evolution in 16S rRNA gene for microbial species in the habitat where environmental and nutritional conditions impact on 16S rRNA gene structure and sequence. In essence, 16S rRNA gene may habour epigenetics signals at the gene level.

The preparation of transition metal salt ammine complexes having oxidizing anions is a great challenge due to the reaction between the ammonia and oxidizing anions during the synthesis of these materials. However, they have an important role in the development of new oxidants in organic chemistry and especially as precursors in the preparation of mixed metal oxides and alloys in controlled temperature thermal decomposition reactions. Therefore, the synthetic procedures to prepare the complexes of transition metal permanganate, pertechnetate, and perrhenate (VIIB group tetraoxometallates) salts with ammonia as ligand or co-ligand have been comprehensively reviewed. The available data about the structure and spectroscopic properties of these compounds, including the hydrogen bonds that act as redox reaction centers under their thermal decomposition are given and evaluated. Their thermal decomposition processes and products have been summarized. The available pieces of information about their role in organic oxidation reactions like the oxidation of benzyl alcohols, and regeneration of oxo-compounds from oximes and phenylhydrazones including the kinetics of these processes have also been collected.

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

The widespread use of renewable energy sources has considerably expanded distributed generation. An unbalanced load on distribution cables may also result from the recent increase in novel appliances and electric vehicles, the reverse power flow may create short-term overloads. These transient overloads increase the temperature for a short time beyond the limit, which causes degradation. However, the temperature distribution on the cable is not even. Therefore, the cable components are not degraded evenly and similarly. This publication describes the change in electrical properties of low-voltage cables caused by short-term cyclic artificial ageing to track the impact of these brief temperature rises. This study examines how cable structure affects the dielectric characteristics of cable specimens. Four cable samples, each measuring 50 cm in length (SZAMKAM 0.6/1 kV 16 mm2× 4 manufactured by Prysmian MKM Kft, Hungary) put through an accelerated ageing test in a temperature-controlled oven after changing their structures by removing their layers. Three rounds, each of six hours, accelerated thermal ageing were applied. After each round of ageing, the dielectric parameter tanδ and capacitance were measured by Dirana Dielectric Response Analyzer in the laboratory at room temperature 24±0.5∘C. Furthermore, the polarization and depolarization currents were also studied. The results show that changing the cable structure impacts the dielectric parameters, especially the effect of belting layer is significant. From point of view of aging the PVC belting layer protects the diffusion of plasticizers of inner structure.

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.

Ferrocene and its derivatives have ecologically effective antidetane properties. In this regard, ferrocene reacts with cyclic ketones and ferrosenylcarbinols are synthesized. It should be noted that ferrocene enters into electrophilic reactions and the process takes place in an acidic environment. In addition, the yield of the new product was small compared to the reactions of ferrocene with non-cyclic ketones. This is due to the spatial structures of molecules. The elemental analysis of obtained compounds was carried out; the structures were researched by cyclic voltammograms and Chronoamperometric.

The paper presents a new conception of quasi-distributed sensor for simultaneous measurement of several physical fields and the results of an experimental study of this sensor. A distinctive feature of the sensor defined by the sensitive RC elements connected in the original tree-like structure. The proposed is the structure of the sensor and measurement system as well as corresponding measurement algorithm. The high accuracy demonstrated by the sensor’s prototype gives possibility to effective use the proposed sensors in many technical and scientific applications.

Rajshahi, blessed by the geographical advantage provided by the river Padma, is a beautiful and one of the cleanest cities in Bangladesh. It presents a spectacular image and stunning sight to its residents. But Rapid urbanization created immense pressure on the infrastructures and cityscape by rescinding most of the natural assets and scenic beauty it possessed historically. The growing pressure of population influx accompanied by unplanned urbanization threatens the survival of its waterbodies, wetlands, and greeneries, which many other contemporary cities strive to achieve with hard-hearted planning measures. Moreover, the city suffers from inadequate provision of quality outdoor recreational facilities. Yet because of the verdant resources, it still can set an example of becoming green and fluid landscape. There are scopes to connect the city people to the urban landscape and blue-green infrastructures by applying proper planning and urban design techniques. For example, it can explore the potential and scope of a water-based transportation system to create outdoor recreation space for city dwellers as well as a transport mode in the city. This SECTION discusses the prospects and potential of enhancing recreational aspects of Circular Inland Waterways. It also analyzes the benefits of a network of waterways well-connected and integrated with the existing conventional transportation system to reduce pressure on land transport and promote a sustainable system. This research was conducted in two phases each involving a distinct approach. The first one was a macroscopic approach to probe the potential of the water transport system in Rajshahi city. The required data on traffic volume, traffic growth rate, roads and existing waterbodies were collected, and GIS and Remote Sensing tools were used to find the scope of waterway transport around Rajshahi City. In the second approach, a detailed design was proposed for a potential circular waterway network in the city. Results indicate that there is a huge prospect for introducing a circular waterway transport system around Rajshahi city to create a place of fluid landscape and minimize the pressure on the existing land transportation system.

Cultural practices and development level can influence a population’s household structures and mixing patterns. Within some populations households can be organized across multiple dwellings. This likely affects the spread of infectious disease spreads through these communities, however, current demographic data collection tools do not record these data. Methods: Between June–October 2018, the Contact And Mobility Patterns in remote Aboriginal Australian communities (CAMP-remote) pilot study recruited Aboriginal mothers with infants in a remote northern Australian community to complete a monthly iPad-based contact survey. Results: Thirteen mother-infant pairs (participants) completed 69 study visits between recruitment and the end of May 2019. Participants reported they and their other children slept in 28 dwellings during the study. The median dwelling occupancy, defined as people sleeping in the same dwelling on the previous night, was nine (range: 3.5–25). Participants who completed at least three responses (n=8) slept in a median of three dwellings (range: 2–9). Each month a median of 28% (range: 0%–63%) of the participants travelled out of the community. Including these data in disease transmission models amplified estimates of infectious disease spread in the study community, compared to models parameterized using census data. Conclusions: The lack of data on mixing patterns in populations where households can be organized across dwellings may negatively impact the accuracy of infectious disease models for these communities and the efficacy of public health actions they inform.

This work presents the first evidence that dissolved globular proteins change the arrangement of hydrogen bonds in water, with different proteins showing quantitatively different effects. Using ATR-FTIR (Attenuated Total Reflection – Fourier Transform Infrared) spectroscopic analysis of OH-stretch bands, we obtain quantitative estimates of the relative amounts of the previously reported four subpopulations of water structures coexisting in a variety of aqueous solutions. Where solvatochromic dyes can measure the properties of solutions of non-ionic polymers, the results correlate well with ATR-FTIR measurements. In protein solutions to which solvatochromic dye probes cannot be applied, NMR (Nuclear Magnetic Resonance) spectroscopy was used for the first time to estimate the hydrogen bond donor acidity of water. We found strong correlations between the solvent acidity and arrangement of hydrogen bonds in aqueous solutions for several globular proteins. Even quite similar proteins are found to change water properties in dramatically different ways.

The agro-biodiversity present in agro-ecosystems is fundamental in guaranteeing sustainability and resilience. However, there are very few proposals for evaluating it and, even less, ones that include indicators to analyze the influence of the structural and spatial configuration of a landscape in order to favor agro-biodiversity connectivity to productive systems, management and conservation practices, and the producer (farmer)’s perceptions, awareness and ability to favor it on his farm. The Main Agro-ecological Structure MAS is redefined as an environmental agro-biodiversity index. New indicators are established for a total of 10 criteria and 29 indicators of systems that describe the agro-biodiversity of agro-ecosystems. Methodologies for its evaluation are also described, and the possibility of adapting certain indicators according to the ecological and cultural contexts where the farms are located is discussed.

Chirality depends on particular symmetries. For crystal structures it describes the absence of mirror planes and inversion centers, and in addition to translations, only rotations are allowed as symmetry elements. However, chiral space groups have additional restrictions on the allowed screw rotations as a symmetry element, because they always appear in enantiomorphous pairs. This study classifies and distinguishes the chiral structures and space groups. The chirality is quantified using Hausdorff distances and continuous chirality measures and selected crystal structures are reported. The chirality is discussed for bulk solids and their surfaces. Moreover, the band structure, and thus, the density of states, is found to be affected by the same crystal parameters as the chirality. However, it is independent of handedness. The Berry curvature, as a topological measure of the electronic structure, depends on the handedness, but is not a proof for the chirality because it responds on the inversion of a structure. For molecules, optical circular dichroism is one of the most important measures for the chirality. Thus, it is proposed in this study that the circular dichroism in the angular distribution of photoelectrons in high symmetry configurations can be used to distinguish the handedness of chiral solids and their surfaces.

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.

We report the results of the characterization of local Monte Carlo (MC) dynamics of an equilibrium bond fluctuation model polymer matrix (BFM), in time interval typical for MC simulations of non-linear optical phenomena in host-guest systems. The study contributes to the physical picture of the dynamical aspects of quasi-binary mosaic states characterized previously in the static regime. The polymer dynamics was studied at three temperatures (below, above and close to the glass transition), using time-dependent generalization of the static parameters which characterize local free volume and local mobility of the matrix. Those parameters play the central role in the kinetic MC model of host-guest systems. The analysis was done in terms of the probability distributions of instantaneous and time-averaged local parameters. The main result is the characterization of time scales characteristic of various local structural processes. Slowing down effects close to the glass transition are clearly marked. The approach yields an elegant geometric criterion for the glass transition temperature. A simplified quantitative physical picture of the dynamics of guest molecules dispersed in BFM matrix at low temperatures offers a starting point for stochastic modeling of host-guest systems.

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

It has been more than a year since the first case of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) was found. This coronavirus has infected more than 110 million people worldwide by the end of February, 2021, and several virulent as well as more spreadable mutant forms of SARS-CoV-2 have emerged subsequently. In the latter group, three variants B.1.1.7, B.1.351, and P1 lineages, have been reported. Using computer simulation, the present paper investigates the structural differences between the wild type SARS-CoV-2 spike protein and its Asn501Tyr (N501Y) mutant variant. Time-based structural changes between the receptor binding domains of these two species are also examined. The N501Y mutation is common to all the three aforesaid mutant variants.

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.

Since the launch of Protein Data Bank (PDB) in 1971, Cartesian coordinate system (CCS) has been the default approach to specify atomic positions in biomolecular experimental structures with X, Y and Z. In 2020, a local spherical coordinate system (LSCS) approach was proposed as an alternative to CCS, i.e., ρ, θ and φ. Recently, the continued application of deep learning technology in protein structure prediction (PSP) saw a leap forward in the accuracy of PSP, as evidenced by AlphaFold of Google’s DeepMind. However, there still is room for the improvement of the performances of PSP algorithms to date. Given that geometrically, CCS and LSCS are like the two sides of a coin, this short article puts forward a hypothesis that the time is now ripe to end the half-a-century burial of ρ, θ and φ in PDB, and use them as LSCS features for the design of novel PSP algorithms in future.

Oligonucleotide conjugates with boron clusters have found applications in different fields of molecular biology, biotechnology, and biomedicine as potential agents for boron neutron capture therapy, siRNA components, and antisense agents. Particularly, closo-dodecaborate anion represents a high-boron containing residue with remarkable chemical stability and low toxicity, suitable for the engineering of different constructs for biomedicine and molecular biology. In the present work, we synthesized novel oligonucleotide conjugates of closo-dodecaborate attached to the 5'-, 3'-, or both terminal positions of DNA, RNA, 2'-O-Me RNA, and 2'-F-Py RNA oligomers. For their synthesis, we employed click reaction with the azido derivative of closo-dodecaborate. The key physicochemical characteristics of the conjugates have been investigated using high-performance liquid chromatography, gel electrophoresis, UV thermal melting, and circular dichroism spectroscopy. Incorporation of closo-dodecaborate residues at the 3'-end of all oligomers stabilized their complementary complexes, while analogous 5'-modification decreased duplex stability. Two boron clusters attached to the opposite ends of the oligomer only slightly influence the stability of complementary complexes of RNA oligonucleotide and its 2'-O-methyl and 2'-fluoro analogs. On the contrary, the same modification of DNA oligonucleotides significantly destabilized DNA/DNA duplex but gave a strong stabilization of the duplex with RNA target. According to CD spectroscopy results, two terminal closo-dodecaborate residues cause a prominent structural rearrangement of complementary complexes with a substantial shift from B-form to the A-form of the double helix. The revealed changes of key characteristics of oligonucleotides caused by incorporation of terminal boron clusters, such as the increase of hydrophobicity, change of duplex stability, and prominent structural changes for DNA conjugates, should be taken into account for the development of antisense oligonucleotides, siRNAs, or aptamers bearing boron clusters. These features may also be used for engineering of developing NA constructs with pre-defined properties.

In this study, we report a detailed experimental and theoretical investigation of three glycols, namely ethane-1,2-diol, 2-methoxyethan-1-ol and 1,2-dimethoxy ethane. For the first time, the X-Ray spectra of the latter two liquids was measured at room temperature, and they were compared with the newly measured spectrum of ethane-1,2-diol. The experimental diffraction patterns were interpreted very satisfactorily with molecular dynamics calculations, and suggest that in liquid ethane-1,2-diol most molecules are found in gauche conformation, with intramolecular hydrogen bond between the two hydroxyl groups. Intramolecular H-bonds are established in the mono-alkylated diol, but the interaction is weaker. The EDXD study also evidences strong intermolecular hydrogen-bond interactions, with short O···O correlations in both systems, while longer methyl-methyl interactions are found in 1,2-dimethoxy ethane. X-Ray studies are complemented by micro Raman investigations at room temperature and at 80°C, that confirm the conformational analysis predicted by X-Ray experiments and simulations.

The aim of this research was to test recent developments in the use of Remotely Piloted Aircraft Systems or Unmanned Aerial Vehicles (UAV) to map pasture biomass yield and nutrient status, across a selected range of field sites throughout the rangelands of Queensland. Improved pasture management begins with an understanding of the state of the resource base, UAV based methods can potentially achieve this at improved spatial and temporal scales. This study developed predictive models of both pasture yield and pasture nutrient status. An automated pasture height surface modelling technique was developed, tested and used along with field site measurements of pasture yields, to predict further estimates across each field site. Both prior knowledge and automated predictive modelling techniques were employed to predict pasture yield and nutrition. Pasture height surface modelling was assessed against field measurements using a rising plate meter, results reported correlation coefficients (R2) ranging from 0.2 to 0.4 for both woodland and grassland field sites. Accuracy of the predictive modelling was determined from further field measurements of pasture yield and on average indicated an error of 0.8 t ha-1 in grasslands and 1.3 t ha-1 in mixed woodlands across both modelling approaches. Correlation analyses between measures of pasture quality, acid detergent fibre and crude protein (ADF, CP), and spectral reflectance data indicated the visible red (651 nm) and red-edge (759 nm) regions were highly correlated (ADF R2 = 0.9 and CP R2 = 0.5 mean values). These findings agreed with previous studies linking specific absorption features with grass chemical composition. These results conclude that the practical application of such techniques, to efficiently and accurately map pasture yield and quality, is possible at the field site scale, however further research is needed, in particular further field sampling of both yield and nutrient elements across such a diverse landscape, with the potential to scale up to a satellite platform for broader scale monitoring.

Whether there is any inclination between structures and functions of antimicrobial peptides (AMPs) is a mystery yet to be unraveled. AMPs have various structures associated with many different antimicrobial functions, including antibacterial, anticancer, antifungal, antiparasitic and antiviral activities. However, none has yet reported any antimicrobial functional tendency within a specific category of protein/peptide structures nor any structural tendency of a specific antimicrobial function with respect to AMPs. Here we examine the relationships between structures categorized by three structural classification methods (CATH, SCOP and TM) and seven antimicrobial functions with respect to AMPs using an enrichment analysis. The results show that antifungal activities of AMPs were tightly related to two-layer sandwich structure of CATH, knottin fold of SCOP, and the first structural cluster of TM. The associations with knottin and TM cluster 1 even sustained through the AMPs with a low sequence identity. Besides, another significant mutual enrichment was observed between the third cluster of TM and anti-gram-positive-bacterial/anti-gram-negative-bacterial activities. The findings of the structure-function inclination further our understanding of AMPs and could help us design or discover new therapeutic potential AMPs.

Automatic control to any of robot manipulators, some kind of issues are being observed. A numerical method for solution generation to the inverse kinematics problem of redundant robotic manipulators is presented to obtain the smoothest algorithm as possible, leading to a robust iterative method. After the primary objective of the reachability of end-effectors to the target point is achieved, the aim is set to resolve the redundant degrees of freedom of redundant manipulator. This method is numerically stable since it converges to the correct answer with virtually any initial approximation, and it is not sensitive to the singular configurations of the manipulator. In addition, this technique is computationally effective and able to apply for serial manipulators with any DOF applications. A planar 3R-DOF serial link redundant manipulator is considered as exemplar problem for solving. Also, the continuum approach for resolving more complex structure with variable DoF is illustrated here and their brief applicability to support surgeries and adaptive use of artificial linkage moments is also calculated.

Late blight caused by the oomycete pathogen Phytophthora infestans is a devastating disease of potato and tomato worldwide, including Israel. The population structure of this pathogen was monitored in potato and tomato fields in Israel during a 36-year period of 1983-2019. Isolates of the pathogen were tested for sensitivity to phenylamide fungicides, mating type, race structure, and genotype. The phenotypic and genotypic structure of the population from potato have changed greatly from one year to another, from one season to the next, within a season and within a single field. Major changes also occurred in the population collected from tomato crops. The mechanisms driving these multiple changes and the heterogeneous nature of the population in Israel are shown to derive from multiple migration events of the pathogen via seed tubers from Europe and from fitness-driven selection processes.

As of today, there is not any direct report yet of the degree to which missing residues exist for experimentally determined membrane protein (MP) structures, which constitute more than half of current drug targets. With a chain- and position-specific visualisation and a statistical analysis of all MP structures inside PDB (as of September 25, 2019), this article argues that the experimentally uncharted territories (EUTs, i.e., consisting of missing residues) within PDB are pluggable and should be plugged with an experimental data-driven hybrid approach, and calls for continued development of MP structural determination with less and less EUTs, in light of MPs' crucial role in biological and biomedical research, both fundamental and pharmaceutical.

The study was conducted in north wollo, south wollo and orimiya zone, in Eastern Amhara with an aim to assess the resource potential of Acacia seyal in the selected sites. The data from the selected sites were collected using point center quarter method. A total of 90 quadrates from nine study areas with plot size 50m*50m, (22.5ha) were systematically located along each transect, 100 m apart, and was spatially captured with the aid of GPS. At every sampling point, four quadrants (90 degrees) were created, using the transect line and a line perpendicular to it. Species composition Acacia seyal structure and its regeneration status, at points along transects were taken to analyze diversity and target species structure of the sites. The highest and least density of Acacia seyal ha^-1 were attained by Mehale mecharie (148) and Alene sefer (52). The highest shannon weiner diversity and species richness was observed in Alene sefer(Kemessie). Acacia seyal structure in all study sites showed an inverted J shape except lastie gerdao (Gubalafeto). Therefore, Acacia seyal deserves immediate conservation and appropriate management measures in order to get sustainable product and services from the species. Based on the results, awareness creation on the values and management of Acacia seyal, study on the management options of Acacia seyal for firewood, fuel wood, charcoal production and also investigation of gum production techniques of Acacia seyal for the sustainable use of the resource are recommended.

In this paper we review a proposal to represent the geometric degrees of freedom of the gravitational field as a branched covering space, and introduce a new application of this in which the branch loci are 1- or 2-knots. This allows one to construct arbitrary smooth, closed 3- and 4-manifolds with enough geometric and topological information to write down a partition function and calculate statistical quantities in the thermodynamic limit. Further, we find clear evidence for a dimensional reduction of the spacetime geometry from four to two. As an example, we choose a family of smooth 4-manifolds presented in this way, and calculate the entropy of the system.

This article attempts to formulate a mathematical model for a potential explanation regarding the unavoidable impact of a rigid body's peculiar shape on the seamless flow over it. The solid body completely immersed in a Newtonian fluid and respectively has a relative open circuit flow on it will typically experience various observable phenomena like flow separation, flow transition, down-wash, stalling at the higher angle of attack, stalling velocity and how cambered airfoil can typically generate lift at a zero incidence angle. This article respectively represents an understanding of the laminar flow over a rigid body's external surface with due respect to its distinctive shape and size. This working paper formulates a more realistic and simplified mathematical model for open circuit laminar flow over a body, based on the historical data of aerodynamics and theoretical mechanics. This is intended to properly estimate forces on the continuous surface of the body in a laminar flow, to properly explain, understand and predict mentioned phenomena. Most of all the mechanism of streamline formation and its deformation with due regards to flow, shape and size of the body in an open-circuit laminar are formulated mathematically to enhance better design theory which can reduce experimentation while designing a streamlined body.

Unsteady flow is the most common and complicated form of fluid motion in nature. This paper takes the beaches of key waterways in the middle and lower reaches of the Yangtze River as the research object, analyzes the water surface distribution and average flow velocity distribution near the beach, and analyzes the differences. The relationship between the flow pattern of the steep slope and the water flow pattern of the entire survey area and the steep slope of the beach and its nearby water flow structure. The water flow near the beach is divided into four major blocks: the swelling water area, the falling water area, the backwater area and the maximum flow rate area. The water flow structure characteristics and the cause of each block are analyzed.

Impact load was applied to hardened cement paste (HCP) specimens using a gas gun to investigate microscopic changes in the specimens and develop a better response model of concrete subjected to impact load. Plasma emission was observed at the moment of impact at 420 m/s and the colour of the portion near the impact point turned brighter. This brighter portion was analysed, and it was observed that the pore structure was coarser compared to the other portion; however, the results of thermogravimetry and X-ray diffraction analysis were similar. A possible reason is that the generated heat was instantaneous and the rate of the temperature increase in the HCP decreased due to evaporation of water in the HCP. These results indicate that during impact at a few hundred m/s, porosity increase due to heat effect is more dominant than porosity decrease due to mechanical compaction.

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.

In 2015, Romania was the first country in Europe that achieved EU targets regarding the share of renewables in the generation mix, far ahead of the 2020 deadline. Starting with the energy structure in Romania, the paper: (1) analyses the evolution of the main indicators in the renewable energy sector, (2) discloses the perspectives of renewable energy in Romania synthesizing the main trends of development in the field and (3) analyses the challenges facing with the development of renewable energy in Romania. Based on analyzing the exploratory data, the paper makes a preliminary prediction of the development of the sector for the future decades and proposes targeted countermeasures and suggestions. Romania still has unexploited potential concerning renewable energy sources. Because Romania registered a continuous economic growth, the demand for electricity is steadily growing, and this trend is expected to continue. Also, Romania could introduce a support mechanism for developing the potential of unexploited potential. The results of the present study may be useful for further research regarding public policies for the development of renewable energy. Also, it can represent a useful analysis in order to identify the future trends of renewable energy in Romania.

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.

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

By reinterpreting the calibration of structural models, a reassessment of the importance of the input variables is undertaken. The analysis shows that volatility is the key parameter to any calibration exercise by several orders of magnitude. In order to maximize the sensitivity to volatility, a simple formulation of Merton’s model is proposed that employs deep out-of-the-money option implied volatilities. The methodology also eliminates the use of historic data to specify the default barrier thereby leading to a full risk neutral calibration. Subsequently, a new technique for identifying and hedging capital structure arbitrage opportunities is illustrated. The approach seeks to hedge the volatility risk, or vega, as opposed to the exposure from the underlying equity itself, or delta. The results question the efficacy of the common arbitrage strategy of only executing the delta hedge.

In this article, we introduce a new approach to human movement by defining the movement as a static object or a super object in one two-dimensional image. This method can allow researchers to label and describe the total movement as an object isolated from a reference video. This ap-proach allows us to perform various tasks, including finding similar movements in a video, measuring, and comparing movements, generating new similar movements, and defining chore-ography by controlling specific parameters in the human body skeleton. As a result of the pre-sented approach, we can eliminate the need to label images manually, disregard the problem of finding the beginning and the end of a movement, overcome synchronization issues between movements, and perform any deep learning network-based operation that processes super objects in images in general. As part of this article, we will demonstrate two application use cases: one il-lustrates how to verify and score a requested movement. In contrast, the other illustrates how to generate similar movements in the human skeleton space by addressing the challenge of supply-ing sufficient training data for deep learning applications (DL). A Variational Auto Encoder (VAE) simulator and an EfficientNet-B7 classifier architecture embedded within a Siamese twin neural network are presented in this paper in order to demonstrate two use cases. These use cases demonstrated the versatility of our innovative concept in measuring, categorizing, inferring hu-man behavior, and generating gestures for other researchers.

The objective was to explore the contributions and limitations of structure learning methods within an epidemiological analysis of real-world data. The specific aim was to use these networks to identify determinants of access to healthcare among various social factors. We analyzed data from the 2010 wave of the SIRS cohort, which included a sample of 3,006 adults from the Paris region, France. Healthcare utilization, encompassing both direct and indirect access, was the primary outcome. Candidate determinants included health status, demographic characteristics, and socio-cultural and economic positions. We employed a dual approach: a non-automated epidemiological method (initial expert-knowledge network and logistic regression models) and structure-learning techniques based on several algorithms, with and without knowledge con-straints. We compared the results based on the presence, direction, and strength of specific links within the produced network. Although the interdependencies and relative strengths identified by approaches were similar, the structure-learning algorithms detected fewer associations with the outcome than the non-automated method. Relationships between variables were sometimes incorrectly oriented when using a purely data-driven approach. Structure learning algorithms can be valuable in exploratory stages, helping to generate new hypotheses or mining novel databases. However, results should be validated against prior knowledge and supplemented with additional confirmatory analyses.

This study investigates the process of multi-walled carbon nanotube (MWCNT) coatings to enhance the lamp heating temperature for solar thermal absorption applications. The primary focus is studying the effects of self-organized honeycomb structures of CNTs formed on silicon substrates on different cell area ratios (CAR). The drop-casting process developed honeycomb-structured MWCNT-coated absorbers with varying CAR values ranging from ~ 60% to 17%. The optical properties were investigated within the visible (400-800 nm) and near-infrared (934-1651nm) wavelength ranges. Although fully coated MWCNT absorbers showed the lowest reflectance, honeycomb structures with a ~ 17% CAR achieved high-temperature absorption. These structures maintained 8.4% reflectance at 550 nm while dramatically increasing infrared reflection to 80.5% at 1321 nm. The performance of solar thermal was assessed throughout a range of irradiance intensities, from 0.04 W/cm² to 0.39 W/cm². The honeycomb structure with a ~17% CAR value consistently performed better than other structures by reaching the highest absorption temperatures (ranging from 52.5°C to 285.5°C) across all measured intensities. A direct correlation was observed between the reflection ratio (visible: 550 nm / infrared: 1321 nm) and temperature absorption efficiency, where lower reflection ratios were associated with higher temperature absorption. This study highlights the significant potential for the large-scale production of cost-effective solar thermal absorbers through the application of optimized honeycomb-structured absorbers coated with MWCNTs. These contributions enhance solar energy efficiency for applications in water heating and purification, thereby promoting sustainable development.

Rhizosphere microorganisms can utilize nutrient resources in the rhizosphere efficiently, while rhizosphere growth-promoting bacteria play a crucial role in regulating soil fertility and promoting plant health. In this study, we employed a combination of isolation, purification, identification of dominant microorganisms, and high-throughput sequencing technology to analyze the main microbial groups and diversity in the rhizosphere soil of Helichrysum arenarium（L.）Moench. in Altay, Xinjiang，China. By isolating bacterial strains from the rhizosphere soil using a dilution coating method, we successfully obtained 43 strains. Subsequently, selective medium was utilized to screen for growth-promoting characteristics among these isolated strains from the rhizosphere soil of H. arenarium（L.）Moench.. The results obtained through high-throughput amplification sequencing revealed that the rhizosphere soil harbored diverse bacterial communities belonging to 35 phyla, 93 orders, 215 families, 324 genera and 231 species associated with H. arenarium（L.）Moench., as well as fungal communities consisting of 14 phyla ,47 orders ,96 families ,204 genera and 571 species. Among these bacterial communities identified, eight phyla exhibited relative abundances exceeding 1%, with Actinobacteriota being most predominant at an abundance rate of 41.30%. Additionally,five bacterial genera were found to have relative abundances exceeding 1% ,with Arenimicrobium_luteum being most abundant at 6.11% . Furthermore,four fungal phyla displayed relative abundances surpassing1 % ,with Ascomycota accounting for 67.21% of total fungal community composition.Finally,four fungal genera demonstrated relative abundances higher than 1% ,with Knufia representing 3.80% of total fungal community composition.The analysis on culturable bacteria's promotion activity within the rhizospheric soil indicated that two strains,S16and S29, exhibited the highest solubility index for inorganic phosphorus. However, it lacked the ability to dissolve organophosphorus and potassium. On the other hand, strains S7 and S10, which were screened, demonstrated nitrogen-fixing capabilities. Nine strains with excellent iron-bearing capacity were identified, with strain S16 exhibiting the highest D/d value and strongest iron-bearing capacity among them. Our findings revealed that 43 rhizosphere soil bacteria belonged to three genera. The ten growth-promoting bacteria were identified as Kocuria rosea, Priestia megaterium, Bacillus mobilis, B. bataviensis, B. mycoides (two strains), B. paramobilis, and Alcaligenes faecalis. This study provides a particular research basis for the influence of H. arenarium（L.）Moench. rhizosphere microorganisms on soil nutrient release and depicts a solution for improving the yield and quality cultivation of H. arenarium（L.）Moench. by isolating, screening, and identifying rhizosphere soil growth-promoting bacteria, including screening strains with growth-promoting functions and analyzing the population structure of rhizosphere and habitat soil in combination with high-throughput sequencing technology.

This study primarily investigates the effect of fly ash (FA) content on the mechanical properties and hydration performance of alkali-activated ground granulated blast furnace slag cements (AAGC), and compares the related properties with ordinary Portland cement (OPC). Additionally, the study examined the hydration products, thermal analysis, MIP, SEM, chemically bound water, and pH values of AAGC. The compressive strength of AAGC showed a retrogression phenomenon from 3 to 28 days, with the 14-day and 28-day compressive strengths of AAGC being higher than those of OPC. The AAGC with 20% FA content exhibits the highest 28-day compressive strength (75 MPa). The hydration heat release rate curved of OPC and AAGC can be divided into the initial induction period, induction period, acceleration period, deceleration period and steady period. As FA content increases, the 28-day pore volume of AAGC increased while pH values and chemically bound water decrease. SEM images of AAGC with low FA content showed more microcracks.

Estimating the ocean’s subsurface thermohaline information from satellite measurements is essential for understanding ocean dynamics and El Niño phenomenon. This paper proposes an improved double-output Residual Neural Network (DO-ResNet) model to concurrently estimate the ocean subsurface temperature (OST) and ocean subsurface salinity (OSS) in the tropical Western Pacific using multi-source remote sensing data, including sea surface temperature (SST), sea surface salinity (SSS), sea surface height anomaly(SSHA), sea surface wind (SSW), and geographical information (including longitude (LON) and latitude (LAT)). In the model experiment, Argo data were used to train and validate the model, and the root mean square error (RMSE), normalized root mean square error (NRMSE) and coefficient of determination (R²) were employed to evaluate the model's performance. The results showed that the sea surface parameters selected in this study have a positive effect on the estimation process, and the average RMSE and R² values for estimating OST (OSS) by the proposed model are 0.34 °C (0.05 psu) and 0.91 (0.95), respectively. Under the data conditions considered in this study, DO-ResNet demonstrates superior performance relative to the extreme gradient boosting model, random forest model, and artificial neural network model. Additionally, this study evaluates the model’s accuracy by comparing its estimations of OST and OSS across different depths with Argo-derived data, demonstrating the model's ability to effectively capture the most spatial features, and by comparing NRMSE across different depths and seasons, the model displays strong seasonal adaptability. In conclusion, this research introduces a novel artificial intelligence technique for estimating OST and OSS in the tropical Western Pacific Ocean.

In this article we have constructed a basic methodology from which important perspectives for both the Collatz conjecture and Beal's conjecture can be derived. We falsified the conjecture we previously developed on Beal's conjecture and made the falsified conjecture usable for Collatz conjecture. In this regard, we have clearly expressed the numbers that can reach 1 in the Collatz conjecture. Then, using this, we created a limit for the numbers that should be considered for the Collatz conjecture. Thanks to the analysis of this limit, we have clearly expressed the recursive Collatz function in an equation. Using this structure, we wrote a function that indicates how many times the Collatz function repeats certain numbers to reach 1.

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

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

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

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