The structure of arylpiperazine moieties as an important pharmacophore could generate wide pharmacological activities．Arylpiperazine derivatives referred in this paper possessed antitumor activity. The title compounds were crystallized by slow evaporation. 2-(4-(2-(4-Phenylpiperazin-1-yl)ethyl)benzyl)isoindoline-1,3-dione(1), 2-(4-(2-(4-(4-Bromophenyl)piperazin-1-yl)ethyl)benzyl)isoindoline-1,3-dione (2) and 2-(4-(2-(4-(4-Chlorophenyl)piperazin-1-yl)ethyl)benzyl)isoindoline-1,3-dione (3) crystallizes in the triclinic space group P-1 with two molecules in the unit cell. The unit cell parameters for 1 are a = 6.9159(14) Å, b = 9.999(2) Å, c = 16.925(3) Å, α = 88.25(3)°, β = 85.14(3) °, γ = 79.22(3) °. The unit cell parameters for 2 are a = 6.9995(14) Å, b = 9.919(2) Å, c = 17.671(4) Å, α= 97.55(3)°, β = 92.19(3) °, γ = 102.23(3) °. The unit cell parameters for 1 are a = 6.9872(14) Å, b = 9.863(2) Å, c = 17.557(4) Å, α=96.81(3)°, β = 91.89(3) °, γ = 101.74(3) °. Pi-pi interactions were observed between molecules, and compound 2 and 3 showed halogen interactions between molecules nearby, which was different from compound 1.

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

The awareness of the vulnerability of existing structures under both seismic and energy viewpoints highlight the need to develop integrated retrofit solutions combining the structural and thermal performances. In this perspective, the study explores the efficacy of the Resisto 5.9 Tube system, a seismic coat that improves the seismic behaviour of masonry and reinforced concrete (RC) structures, also enhancing their energy performances, thanks to the thermal coat integrated in the basic steel system. The research involves the application of a design procedure specifically developed for this retrofit system from the seismic perspective. Once all the system elements are designed, non-linear static analyses are performed with a Finite Element software comparing the building’s seismic performances before and after the application of Resisto 5.9 Tube. The results demonstrate a significant increase in seismic safety coefficient, proving that this intervention type can be useful to obtain the seismic upgrading of existing RC buildings.

Motivated by the PEACOC project on metal recovery from solid wastes, an innovative magnetic density separation (MDS) process has been developed for granular material sorting. It has intrinsic advantages over the existing industrialized MDS by eliminating fluid turbulence and particle jamming problems. The new MDS applies an inclined planar magnet and a horizontal basin containing a static magnetic fluid as the separation medium. A particle sliding phenomenon is identified as a feature of the process which could help the separation. The MDS successfully sorted shredded PCBAs to concentrate valuable metals and sorted shredded wires to reduce metallic contaminants in the plastic fractions. A pilot scale facility is introduced to show the design to achieve continuous production and to reduce the consumption of ferrofluid.

Graph theory plays a crucial role in modeling and designing of chemical structure or chemical network. Chemical Graph theory helps to understand the molecular structure of molecular graph. The molecular graph consists of atoms as vertices and bonds as edges. Topological indices capture symmetry of molecular structures and give it a mathematical language to predict properties such as boiling points, viscosity, the radius of gyrations etc. In this article, we study the chemical graph of carbon Crystal structure of graphite and cubic carbon and compute several degree-based topological indices. Firstly we compute M-Polynomials of these structures and then from these M-polynomials we recover nine degree-based topological indices.

MPC (Magneto-Photonic Crystal) Optimisation is a feature-rich Windows software application designed to enable researchers to analyze the optical and magneto-optical spectral properties of multilayers containing gyrotropic constituents. A set of computational algorithms aimed at enabling the design optimization and optical or magneto-optical (MO) spectral analysis of 1D magnetic photonic crystals (MPC) is reported, together with its Windows software implementation. Relevant material property datasets (e.g., the optical spectra of refractive index, absorption, and gyration) of several important optical and MO materials are included, enabling easy reproduction of the previously published results from the field of MPC-based Faraday rotator development, and an effective demonstration-quality introduction of future users to the multiple features of this package. We also report on the methods and algorithms used to obtain the absorption coefficient spectral dispersion datasets for new materials, for which the film thickness, transmission spectrum, and refractive index dispersion function are known.

The photoelectrochemical (PEC) conversion of organic small molecules offers a dual benefit of synthesizing value-added chemicals and concurrently producing hydrogen (H2). Ethylene glycol, with its dual hydroxyl groups, stands out as a versatile organic substrate capable of yielding various C1 and C2 chemicals. In this study, we demonstrate that pH modulation markedly enhances the photocurrent of BiVO4 photoanodes, thus facilitating the efficient oxidation of ethylene glycol while simultaneously generating H2. Our findings reveal that in a pH=1 ethylene glycol solution, the photocurrent density at 1.23 V vs. RHE can attain an impressive 7.1 mA cm−2, significantly surpassing the outputs in neutral and highly alkaline environments. The increase in photocurrent is attributed to the augmented adsorption of ethylene glycol on BiVO4 under acidic conditions, which in turn elevates the activity of the oxidation reaction, culminating in the maximal production of formic acid. This investigation sheds light on the pivotal role of electrolyte pH in the PEC oxidation process and underscores the potential of the PEC strategy for biomass valorization into value-added products alongside H2 fuel generation.

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.

The effectiveness of a hybrid technique for identifying seismic damage in planar, multistory, steel X or V-braced frames is demonstrated here through an example of a six-story frame. This proposed technique, referred to as “M and P”, combines the instrumental Monitoring (M) with Pushover analysis (P). According to the methodology, the diagram of stepping eigenfrequencies of the frame in the inelastic region is initially plotted against seismic roof displacement. The fundamental natural frequency detected via the monitoring process is then utilized in this key diagram to reveal the inelastic roof displacement that corresponds to the damage state of the steel braced frame. This displacement is subsequently used as the target in the pushover analysis, facilitating the identification of seismic damage in the existing steel braced frame. Finally, the damage image is correlated with the damage stiffness matrix of the frame at the same inelastic roof displacement. The investigation results indicate that combining instrumental monitoring with pushover analysis enables accurate identification of seismic damage potential in existing steel braced frames.

To make low-cost catalytic materials that mimic the activity of tyrosinase enzymes (Catechol oxidase) is an exciting challenge of biochemical technology. Herein, we report the synthesis of a series of acylhydrazone-pyrazoles based biomolecule materials (L1-L7) with superior catecholase activity. These biomolecules were synthesized by a one pot chemical condensation between 5-methyl-1H-pyrazole-3-carbohydrazide and benzaldehyde derivatives. The X-ray single crystal diffraction (XRD) for two ligands L1 and L2 have been studied and the molecular structures were optimized and confirmed using the density functional theory (DFT/B3LYP) method. Copper (II) complexes of the biomolecules (L1-L7), generated in-situ, and were studied for their catalytic activities towards the oxidation reaction of catechol to ortho-quinone according to two parameters: the nature of the ligand and the nature of counter anion. The L7-CuSO4 was found to have an excellent catalytic activity (105.42 μmol·L−1·min−1) among the catalysts recently reported in the existing literature.

Various peptides or non-structural amino acids are recognized by their specific target proteins and perform biological role in various pathways in vivo. Understanding the interactions between target protein and peptides (or non-structural amino acids) provides key information on the molecular interactions, which can be potentially translated to the development of novel drugs. However, it is experimentally challenging to determine the crystal structure of protein-peptide complexes. To obtain structural information on substrate recognition of peptide-recognizing enzyme, X-ray crystallographic studies were performed using triglycine (Gly-Gly-Gly) as main-chain of peptide. The crystal structure of Parengyodontium album Proteinase K in complex with triglcyine was determined at 1.4 Å resolution. Two different bound conformations of triglycine were observed at the substrate recognition site. The triglycine backbone forms stable interactions with β5-α4 and α5-β6 loops of main-chain. One of the triglycine-binding conformations was identical with the binding mode of a peptide-based inhibitor from a previously reported crystal structure of Proteinase K. Triglycine has potential application X-ray crystallography to identify substrate recognition sites in peptide binding enzymes.

Western countries are experiencing an increasing aging population, resulting in heightened disability and mobility issues. This trend is expected to escalate in the coming decades. Therefore, ensuring adequate accessibility in collective residential housing –where individuals spend much of their daily lives– is of paramount importance. This paper presents a case study focused on the accessibility of building entrances in collective residential housing in Southeast Spain, specifically in the Region of Murcia. In this region, 9.8% of the population has disabilities, and 15.75% were over 64 years old in 2020. The study began by compiling the relevant national and regional accessibility regulations for existing buildings. Subsequently, extensive fieldwork was conducted, analyzing 150 collective residential housing buildings. Based on this analysis, a set of recommendations to enhance accessibility was formulated for buildings not complying with the regulations. The results are presented and discussed in detail. The most frequent recommendation was the construction of accessible ramps, identified as the primary solution in over 40% of cases, either alone or in conjunction with other measures. In 54% of the cases, multiple interventions were necessary to achieve effective accessibility adaptation. The findings of this study could inform the development of public policies aimed at improving accessibility conditions in urban areas.

Serial femtosecond crystallography (SFX) using an X-ray free-electron laser (XFEL) enables determination of room-temperature structures without causing radiation damage. Using an optical pump-probe or mix-and-injection, SFX enables the intermediate state visualization of a molecular reaction. In SFX experiments, serial and stable microcrystal delivery to the X-ray interaction point is vital for reasonable data collection and efficient beam time. The Pohang Accelerator Laboratory X-ray Free Electron Laser (PAL-XFEL) facility established SFX instruments at a nanocrystallography and coherent imaging (NCI) experimental station. Various sample delivery methods, including injection, fixed-target scanning, and hybrid methods, have been developed and applied to collect XFEL diffraction data. Herein, we review the currently available sample delivery methods for SFX at the NCI experimental station at the PAL-XFEL. This article will help PAL-XFEL users access the SFX system for their experiments.

Aedes aegypti mosquitoes are primary vectors of dengue, yellow fever, chikungunya and Zika viruses. Ae. aegypti is highly anthropophilic and relies nearly exclusively on human blood meals and habitats for reproduction. Socioeconomic factors may influence the spread of Ae. aegypti due to its close relationship with humans. This paper describes and summarizes the published literature on how socioeconomic variables influence the distribution of Ae. aegypti mosquitoes in the mainland United States. A comprehensive search of PubMed/Medline, Scopus, Web of Science, and EBSCO Academic Search Complete through June 12, 2019 was used to retrieve all articles published in English on the association of socioeconomic factors and the distribution of Ae. aegypti mosquitoes. Additionally, a hand search of mosquito control association websites was conducted in an attempt to identify relevant grey literature. Articles were screened for eligibility using the process described in the Preferred Reporting Items for Systematic Reviews and Meta-Analyses (PRISMA) guidelines. Initially, 3,493 articles were identified through the database searches and previously known literature. After checking for duplicates, 2,145 articles remained. 570 additional records were identified through the grey literature search for a total of 2,715 articles. These articles were screened for eligibility using their titles and abstracts, and 2,677 articles were excluded for not meeting the eligibility criteria. Finally, the full text for each of the remaining articles (n = 38) was read to determine eligibility. Through this screening process, 11 articles were identified for inclusion in this review. The findings for these 11 studies revealed inconsistent relationships between the studied socioeconomic factors and the distribution and abundance of Ae. aegypti. The findings of this review suggest a gap in the literature and understanding of the influence of anthropogenic factors on the distribution of Ae. aegypti that could hinder efforts to implement effective public health prevention and control strategies should a disease outbreak occur.

Advanced Finite Element (FE) modeling and simulations were performed on vehicular crashes into a Three-bar Metal Bridge Rail (TMBR). The FE models of a sedan, a pickup truck, and a TMBR section were adopted in the crash simulations subject to Manual for Assessing Safety Hardware (MASH) Test Level 2 (TL-2) and Test Level 3 (TL-3) requirements. The test vehicle models were first validated using full-scale physical crash tests conducted on a two-bar metal bridge using a sedan and a pickup truck with similar overall physical properties and sizes to their respective vehicles used in the simulations. The validated vehicular models were then used to evaluate the crash performance of the TMBR using MASH Evaluation Criteria for structural adequacy, occupant risk, and post-impact trajectory. The TMBR met all MASH TL-2 requirements but failed to meet the MASH TL-3 Criteria H and N requirements when impacted by the sedan. The TMBR was also evaluated under in-service conditions (behind a 1.52-m wide sidewalk) and impacted by the sedan under MASH TL-3 conditions. The simulation results showed that the TMBR behind a sidewalk met all safety requirements except for the occupant impact velocity in the longitudinal direction, which exceeded the MASH limit by 3.93%.

By using the particle swarm optimization algorithm for crystal structure prediction, we reveal a newly orthorhombic Cmcm structure of HfB4, which is more energetically superior to the previously proposed YB4-, ReP4-, FeB4-, CrB4-, and MnB4-type structures in the considered pressure range. The phonon dispersion and elastic constants calculations confirm that the new phase is dynamically and mechanically stable. The calculated large shear modulus (240 GPa) and high hardness (45.7 GPa) imply that the predicted Cmcm-HfB4 is a potential superhard material. Meanwhile, the directional dependences of the Young's modulus, bulk modulus, and shear modulus for HfB4 are systematically investigated. Further analyses of the density of states and electronic localization function indicate that the strong B-B and B-Hf covalent bonds greatly contribute to its high hardness and stability.

The bulk LiNa5Mo9O30 (LNM) crystals were successfully grown in the [010] and [001] directions without internal inclusions and cracks by the Czochralskii method with low temperature gradient. The crystal grown in the [010] direction showed a tendency to twinning. The crystal grown in the [001] direction demonstrated high structural perfection (FWHM=13'') for the (001) plane and high optical quality Δn≈210-5. The laser induced damage threshold was measured along a, b and c axes and was 15.7, 27.0 and 27.5 J/cm2 respectively. The thermo-optical coefficient dn/dT was measured for the main crystallographic axes, which was -5.7510-6, -2.0210-5 and 3.6510-6 K-1 along the a, b and c axes, respectively. The second harmonic generation (SHG) is conducted in crystalline LNM sample. The maximum efficiency value of 3.5% at pump power of 12 W had been achieved.

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.

Solving the problem of searching for new scintillators based on available materials, we were the first to obtain and study a single crystal of CsI doped with divalent ytterbium ions. This work was directed to study of luminescence mechanism of Yb2+ ions and excitation transfer from crystalline matrix of CsI to dopant ions under VUV excitation. Using time-resolved spectroscopy, spin-allowed and spin-forbidden radiative transitions of ytterbium ions at room temperature were discovered. At 10 degrees, the emission of self-trapped excitons was detected. UV and VUV excitation spectra were obtained in the emission bands of ytterbium and self-trapped excitons. It was found that Yb2+ luminescence is excited in the excitonic region in the range of 10-45 eV. The mechanism of charge compensation of Yb2+ ions in a CsI crystal was also studied, the spectrum of the thermally stimulated depolarization current was measured, and the activation energies of the two observed peaks were calculated. These peaks belong to impurity-vacancy complexes in two different positions.It is concluded that Yb2+ ions are promising dopants for CsI scintillators and X-ray phosphors in combination with SiPM photodetectors.

Substrate binding proteins (SBP) bind to specific ligands in the periplasmic region and bind to membrane proteins to participate in transport or signal transduction. Typical SBPs consist of two α/β domains and recognize the substrate by hinge motion between two domains. Conversely, short length Rhodothermus marinus SBP (named as RmSBP) exists around the methyl-accepting chemotaxis protein. We previously determined the crystal structure of RmSBP consisting of a single α/β domain, but the substrate recognition mechanism is still unclear. To better understand the short length RmSBP, we performed comparative structure analysis, computational substrate docking, and X-ray crystallographic study. RmSBP shares a high level of similarity in α/β domain with other SBP proteins, but it has a distinct topology in the C-term region. The substrate binding model suggested that conformational change in the peripheral region of RmSBP was required to recognize the substrate. We determined the crystal structures of RmSBP at pH 5.5, 6.0, and 7.5. RmSBP showed structural flexibility of the β1-α2 loop, β5-β6 loop, and extended C-term domain based on the electron density map and temperature B-factor analysis. These results provide information that will further the understanding of the function of the short length SBP.

This paper constructs a model of climate-related damage for small island developing states (SIDS). We focus on the loss of private productive capital stocks through extreme climate events. In contrast to most economic analyses of climate impacts, which assume temperature-dependent damage functions, we draw on the engineering literature to allow for a greater or lesser degree of anticipation of climate change when designing capital stocks and balancing current adaptation expenditure against future loss & damage. We apply the model to tropical storm damage in the small island developing state of Barbados and show how anticipatory behavior changes the damage to infrastructure for the same degree of climate change. Thus, in the model, damage depends on behavior as well as climate variables.

Acoustic emission monitoring (AEM) has emerged as an effective technique for detecting wire-breaks resulting from, e.g., stress corrosion cracking, and its application on prestressed concrete bridges is increasing. The success of this monitoring measure depends crucially on a carefully designed sensor layout. For this the attenuation of elastic waves within the structure’s material is determined ideally in-situ through object-related measurements with a reproducible signal source, typically a rebound-hammer. This assumes that the attenuation coefficients derived from rebound-hammer tests are comparable to those from wire-breaks, thus allowing their results to be directly applied to wire-break detection without further adjustments. This study challenges this assumption by analysing attenuation behaviour through an extensive dataset. Employing time-domain and frequency analysis, the research generates attenuation profiles from laboratory experiments and in-situ measurements across various girders and bridge structures, extracting the slope and standard deviation of the residuals. While generally validating this approach, the findings highlight differences in attenuation behaviour from among wire-break signals and rebound-hammer impulses, whereby the latter potentially underestimates the relevant attenuation of wire-breaks by approximately 20 %. Consequently, a transfer factor is proposed to adjust object-related measurement results for wire-break scenarios, including a variance of 1.0 dB/m to cover a 95 % confidence interval for sample scattering. Moreover, the anisotropic attenuation behaviour across different structures was studied, showing that transverse attenuation consistently exceeds the longitudinal, significantly influenced by structural features such as voids. In prefabricated concrete bridges with in-situ-cast concrete slabs, transverse signal transmission remains unhindered across multiple elements. Finally, the results provide a valuable reference for the design of sensor layouts in bridge monitoring, particularly benefiting scenarios where direct in-situ experiences are lacking.

β-Ga2O3 is a well-known semiconductor material for power devices and other applications. Recently, β-Ga2O3 has also been reported as a scintillator material with a light yield of approximately 8400 ph./MeV, scintillation decay time of <1 μs, and density of 6.44 g/cm3. In this study, 2-inch diameter β-Ga2O3 single crystals were prepared by oxide crystal growth using the cold crucible (OCCC) method under various oxygen partial pressures. In the OCCC method, as in the cold crucible method, a high frequency is applied directly to the oxide materials, which are heated and melted, and the melt is held by the outermost solid material itself that is cooled by water using a copper hearth. In the OCCC method, crystal growth is performed while rotating the seed crystal, as in the Czochralski method, to increase the crystal diameter. The optical properties and radiation responses of the crystals grown under various oxygen partial pressures were evaluated.

Fiber-reinforced mycelium (FRM) composites offer an innovative and sustainable approach to construction materials for architectural structures. Mycelium, the root structure of fungi, can be combined with various natural fibers (NF) to create a strong and lightweight material with environmental benefits. Incorporating NF like hemp, jute, or bamboo into the mycelium matrix enhances mechanical properties. This combination results in a composite that boasts enhanced strength, flexibility, and durability. Natural FRM composites offer sustainability through the utilization of agricultural waste, reducing the carbon footprint compared to conventional construction materials. Additionally, the lightweight yet strong nature of the resulting material makes it versatile for various construction applications, while its inherent insulation properties contribute to improved energy efficiency in buildings. Developing and adopting natural FRM composites showcase a promising step towards sustainable and eco-friendly construction materials. Ongoing research and collaboration between scientists, engineers, and the construction industry will likely lead to further improvements and expanded applications. This article provides a comprehensive analysis of the current research and applications of natural FRM composite for innovative and sustainable construction materials. Additionally, the paper reviews the mechanical properties and potential impacts of these natural FRM composites in the context of sustainable architectural construction practices. Recently, the relevance of mycelium-based materials has extended beyond their original fields of microbiology and mycology to architecture.

In this article, we first present and discuss eighteenth-century descriptions of minerals that contributed decisively to the development of crystallography. Remarkably, these old crystallographic descriptions included morphologies with symmetries incompatible with an internal periodic order of atoms, which, however, have been recognised to be characteristics of quasicrystals. Moreover, we also review a number of studies of minerals with aperiodic crystal structures, including recently reported natural quasicrystals of extra-terrestrial origin. Finally, we discuss the current investigations addressing the search for new quasicrystalline minerals in nature.

This study investigates the utilization of innovative green composites made from hemp shiv, a waste by-product of hemp cultivation, with the aim of promoting sustainability within the construction industry. The manufacturing method involve the application of pressure in a mold to create the samples. These materials were produced using an environmentally friendly binder consisting of colophony, arabic gum and corn starch, moreover white glue and bioepoxy are also used to compare with the green resins. Three different binder compositions for the specimens. The samples underwent mechanical testing through tensile and bending assessments, and their performance was compared to that of non-green binders to validate the effectiveness of the manufacturing processes. The study revealed that decreasing the moisture content during the curing process is crucial for improving the mechanical properties. The best results were achieved when using arabic gum as a binder, yielding a tensile strength of 2.16 MPa and a bending strength of 5.25 MPa, with a composition of 62.5% hemp shiv and a manufacturing process involving a pressure of 5 MPa.

Nanostructured polymer dispersed liquid crystals (nano-PDLCs) are transparent and optically isotropic materials, in which submicron-sized liquid crystal (LC) domains are dispersed within a polymer matrix. Nano-PDLCs can induce their birefringence by applying an electric field (E-field) based on reorientation of LC molecules. If nano-PDLCs are utilized as light scattering-less birefringence memory materials, it is necessary to suppress the relaxation of LC molecules orientation after removal of the E-field. We focused on a ferroelectric smectic A (SmA) to suppress the relaxation of LC molecules due to their layered structure and high viscosity. Although nano-PDLCs require a strong E-field to reorient LC molecules due to the anchoring effect on the LC/polymer interface, the required field strength can be reduced by using a ferroelectric smectic A (SmAF) LC with a large dielectric constant. In this study, we fabricated a nano-PDLC by irradiating an ultraviolet light to a mixture comprising of a SmAF LC, photocurable monomers and a photo-initiator and its electro-birefringence effect was evaluated using a polarizing optical microscopy. After removal of an E-field, enhanced memory effect was observed on the sample using SmAFLC comparing to nematic LC based nano-PDLCs. (193 words/ 200 words)

The dynamic behaviour of a machine tool (MT) directly influences the machining performances. The adoption of lightweight structures may reduce the effects of undesired vibrations and increasing the workpiece quality. This paper aims to present and compare a set of hybrid materials that may be excellent candidate to fabricate the MT moving parts. The selected materials have high dynamic characteristics and capacity to damp mechanical vibrations. In this way, starting by the kinematic model of a milling machine that highlights the main critical factors, this study paper evaluates a number of prototypes made of Al Foam sandwiches (AFS), Al Corrugated sandwiches (ACS) and materials reinforced by carbon fibres (CFRP). A set of prototypes has been fabricated, represented the Z-axis ram of a commercial milling machine. The static and dynamical properties have been evaluated by using both FE simulations and experimental tests. The obtained results show that the proposed structures may be a valid alternative to the conventional materials of MT moving parts, increasing machining performances. In particular, the AFS prototype highlighted a damping coefficient that is 20 times greater than a conventional ram (e.g. steel). The CFRP structure is able to satisfy the machining requirements with a reduced weight of 48.5%, while the ACS prototype showed a good trade-off between stiffness and damping.

Theoretical studies on the generation of nondiffracting and nondispersive light pulses and their experimental implementation are one of the renowned problems within electromagnetics. Current technologies enable creation of short-duration pulses of a few cycles with high power and fluency. An application of these techniques to the field of nondiffracting and nondispersive pulses requires a proper mathematical description of highly focused vector pulses. In this work, we study vector optical bullets in a dielectric medium with different polarization structures: linear, azimuthal, and radial. We report the differences caused by the vector model compared to the scalar model. We analyze effects caused by superluminal, subluminal, or even negative group velocity on properties of vector optical bullets inside a dielectric material.

: The crystallization conditions from the solution play an important role in determining the mor-phology, phase composition, and photovoltaic properties of perovskite films. Post-processing of the obtained films can have a crucial role in increasing the grain size of perovskite and enhancing its crystallinity. It has been shown that the formation of crystal nuclei can be utilized to accelerate crystallization. In this case, crystallization occurs through the growth of seed crystals created in the solution, enabling the formation of relatively large crystals. For the deposition of CH3NH3PbI3 hybrid halide perovskite films from a solution of the perovskite in dimethylformamide the spin coating technique was employed. Pre-crystallization was achieved by annealing the films at a temperature of 100 or 110 °C. The dissolution process involved adding a drop of dimethylformamide onto the substrate surface and allowing it to partially dissolve the perovskite film. Subsequently, residual solvent was removed through spin coating. The mor-phological analysis of the perovskite film surface after recrystallization at temperatures ranging from 80 to 130 °C was performed. The infrared transmission spectra of the obtained perovskite films were investigated, and their light absorption characteristics were studied through transmission spectra. The perovskite structure in the obtained films was confirmed by the peaks observed in the X-ray diffraction patterns.

The construction industry has a notable negative impact on the environment; thus, the promotion of the use of timber structures is an alternative to mitigate its effects. The research develops an artificial intelligence-based decision approach in the calculation of timber structures focused on the enhancement of the sustainability of roof structures. Based on the optimization carried out through genetic algorithms and the framework established in Eurocode 5, a general set of equations has been proposed for a laminated timber roof structure. The tool, which determines the most suitable roof structure for each strength class of laminated timber, allows for the determination of the dimensions of beams and purlins and their respective separations in order to minimize wood consumption. The ultimate goal is to offer multiple solutions regarding strength classes and structural designs in order to foster informed sustainable choices that promote efficient use of resources in construction.

1) Background: One of the most common cancer that affects men worldwide and North American men is prostate cancer. Gleason score is a pathological grading system to examine the potential aggressiveness of the disease in the prostate tissue. The advancement in computing and next-generation sequencing technology now allow us to study the genomic profiles of patients in association with their different Gleason score more accurately and effectively. 2) Methods: In this study, we used a novel machine learning method to analyze gene expression of prostate tumors with different Gleason scores, and identify potential genetic biomarkers for each Gleason group. We obtained a publicly-available RNA-Seq dataset of a cohort of 104 prostate cancer patients from the National Center for Biotechnology Information’s (NCBI) Gene Expression Omnibus (GEO) repository, and categorized patients based on their Gleason scores to create a hierarchy of disease progression. A hierarchical model with standard classifiers in different Gleason groups, also known as nodes, was developed to identify and predict nodes based on their mRNA or gene expression. In each node, patient samples were analyzed via class imbalance and hybrid feature selection techniques to build the prediction model. The outcome from analysis of each node is a set of genes that can differentiate each Gleason group from the remaining groups. To validate the proposed method, the set of identified genes are used to classify a second dataset of 499 prostate cancer patients collected from cBioportal [1]. 3) Results: The overall accuracy of applying this novel method to the first dataset was 93.3%, and further validated to 87% accuracy using the second dataset. This method also identified genes that were not previously reported as potential biomarkers for specific Gleason groups. In particular, PIAS3 was identified as a potential biomarker for Gleason score 4+3=7, and UBE2V2 for Gleason score 6. 4) Insight: Previous reports show that the genes predicted by this newly proposed method strongly correlate with prostate cancer development and progression. Furthermore, pathway analysis shows that both PIAS3 and UBE2V2 share similar protein interaction pathways, the JAK/STAT signaling process.

The main purpose of this study is the determination of the optimal data acquisition and processing parameters of electric and seismic tomographic techniques, for the investigation of complex geological environments. Two different study areas, in central-east Peloponnese and SW Attica were selected, where a detailed geological mapping and surface geophysical survey were carried out. The applied geophysical survey included the application of electrical resistivity tomography (ERT) and seismic refraction tomography (SRT). The geoelectrical measurements were acquired with different arrays and electrode configurations. Moreover, various types of seismic sources were used at seventeen shot locations along the seismic arrays. For the processing of geoelectrical data, clustered datasets were created increasing the depth of investigation and the discriminatory capability. The seismic data processing included: (a) creation of synthetic models and seismic records to determine the effectiveness and capabilities of the technique, (b) spectral analysis of the seismic records to determine the optimal seismic source type and (c) inversion of the field data to create representative subsurface velocity models. The results of the two techniques successfully delineated the complex subsurface structure that characterizes these two geological environments. The application of the ERT combined with the SRT, are the two dominant, high-resolution techniques for the elucidation of complex subsurface structures.

By using the method of high-temperature solid-phase reaction, the new piezoceramic SrBi2Nb2-2xWxSnxO9 was obtained, in which partial substitution of niobium (Nb) atoms with Sn4+ and W6+ atoms in the compound SrBi2Nb2O9 took place in the octahedra of the perovskite layer (B-position). X-ray diffraction studies have shown that these compounds are single-phase SrBi2Nb2-2xWxSnxO9 (x = 0.1, 0.2) and two-phase SrBi2Nb2-2xWxSnxO9 (x = 0.3, 0.4), but they all had the structure of Aurivillius – Smolensky phases (ASPs) with similar parameters of orthorhombic elementary cells, corresponding to the spatial group A21am. The dependences on temperature of the relative permittivity ε/ε0 and the tangent of the loss angle tan d at different frequencies were measured.

In steel structures, oblique thin steel plates serve as panel zones in structures spanning large spaces (e.g., warehouses and gymnasiums). Considerable research has been conducted on the shear buckling of panels due to seismic loads acting on a structure. Conversely, under snow or wind loads, the panel zone may experience compressive and tensile stresses simultaneously from two directions. Considering the economic preference for thin steel plates, evaluating the elastic critical local buckling stresses in the panel zone under biaxial normal stress may provide essential information to structural engineers. In this study, an elastic buckling analysis based on the energy method is performed to clarify the impact of panel geometry and boundary conditions on the elastic local buckling stresses of oblique panel zones. As confirmed, the buckling stresses derived from the energy method could simulate the local buckling stresses with accuracy comparable to that of finite element analysis, and an engineer-friendly design formula was proposed. Finally, we determined the correlation of the buckling stresses under biaxial stresses and presented a method for evaluating this correlation. Engineers can utilize the provided design equations to more efficiently and accurately calculate buckling loads, facilitating safer and more economical design of structures with oblique plates.

By repeated unloading and loading of the excavation dynamic and static loads, repeated train dynamic and static loads of multi-factors, the underpass tunnel, cross tunnel engineering influence area rock layer, the existing tunnel structure of the three constitutes a multifaceted structure, multi-factor interaction system. Existing tunnels into the prediction theory model of the new tunnel excavation process of dynamic and static loads, dynamic and static loads of existing tunnels are mostly analyzed individually, the results of synergistic analysis needs to be improved. Based on the theory of the current layer method, the paper comprehensively considers the stiffness of the existing tunnel, the stiffness of the new tunnel, the excavation method load and the existing tunnel load, coupled with Peck's empirical formula, the theoretical model of deformation prediction for excavation of a two-lane highway tunnel under the tunnel through the existing railroad is proposed, and verified and optimized by numerical calculations and monitoring data, which proves the applicability and reliability of the theoretical model in the similar strata and the project promotion.

High entropy alloys have excellent wear resistance, so they have great application prospects in the fields of wear resistance and surface protection. In this study, the wear resistance of FeNiCrCoCu high entropy alloy coating was systematically analyzed by molecular dynamics method. FeNiCrCoCu high entropy alloy was used as a coating material to adhere to the surface of Cu matrix. The friction and nano indentation simulation of this coating material were carried out by controlling the ambient temperature. The influence of temperature on its friction properties was analyzed from five aspects: lattice structure, dislocation evolution, friction coefficient, hardness and elastic modulus. The results show that with the increase of temperature, the disorder of the lattice structure increases, which leads to the increase of the tangential force and the friction coefficient in the friction process. At 300K and 600K, the ordered lattice structure of the high entropy alloy coating material is basically the same, and thus their hardness is basically the same. However, the dislocation density at 600K is significantly reduced compared with that at 300K, resulting in the increase of the elastic modulus of the material from 173GPa to 219GPa. At the temperatures of 900K and 1200k, lattice disorder take place rapidly, and dislocation density also decreases significantly, resulting in a significant decrease in the hardness and elastic modulus of the material. When the temperature reaches 900K, the wear resistance of the FeNiCrCoCu high entropy alloy coating decreases sharply. This work is of great value to the analysis of wear resistance of high entropy alloy at high temperature.

Considering Cu(tda) chelate is a receptor for adenine and related 6-aminopurines, now we report the synthesis, molecular and crystal structures, thermal stability, spectral properties and DFT calculations on the [Cu(tda)(9heade)(H2O)]•2H2O (1). N7 is found to be the preferred donor atom of 9heade, that can favor the cooperation of a Cu-N7(9heade) bond and an (9heade)N6-H•••O(tda) interligand interaction. But unprecedentedly, the Cu(tda)-9heade molecular recognition in 1 is essentially featured the Cu-N1(9heade), without any N6-H•••O(carboxyl tda) interligand interaction. Nevertheless, being N1 the most basic donor for N9-substituted adenines, this Cu-N1 bond is now assisted by an O2-water mediated interaction (N6-H•••O2 and O2•••Cu weak contact). Also in the crystal packing, the O-H(ol) of 9heade interacts with its own adenine moiety by an O3-water mediated interaction (O(ol)-H•••O3 plus O3-H36•••π(adenine moiety). In turn these water-mediated interactions seems to be responsible to serious alterations on the physical properties of crystalline or grounded samples. Density functional theory calculations were used to evaluate the interactions energetically. Moreover, the quantum theory of atoms-in-molecules (QTAIM) in combination with the noncovalent interaction plot (NCIPlot) were used to analyze the interactions and rationalize the existence and relative importance of hydrogen bonding, chalcogen bonding and π-stacking interactions.

Currently, the design and construction of embankments of roads, railroads and hydraulic structures are based on regulatory documents developed 25-30 years ago. For the construction of granite massifs it is necessary to use sandy soils, the distribution of which in the Arctic zone of Siberia in the areas of construction is not more than 1.5%. In this case, the range of transport of sand in the alluvial area is 35 kilometers, in the rest of the area - an average of 60 kilometers. Large volumes of soil massifs require large amounts of transportation units, fuel consumption and are accompanied by large emissions of hydrocarbons into the atmosphere. Over the past 15 years, the authors have developed designs and technologies that significantly reduce the energy consumption during the construction of soil embankments. Combined structures are cages made of geosynthetic materials filled with unsuitable melted and frozen overmoistened clay and peaty soils. This allowed the use of soils within the construction sites and thereby reduce the range of transportation from 0.2 to 2.0 kilometers. As an example, when reducing the range of transportation from 25 km to 1 km, the energy consumption is reduced by a factor of 21. The use of geosynthetics made it possible to set the initial parameters of the water-heat regime control process, which increased the life cycle of the embankment from 2 to 5 times in comparison with traditional soil massifs and reduced the consumption of energy for repair and maintenance of linear transport structures. This article gives a theoretical substantiation of water-heat regime management, based on which new designs and technologies have been proposed and tested in Siberia in 2008-2013. The results of the tests confirm the theoretical research. Thus, the use of combined constructions of geosynthetics and inapplicable soils not only reduces the distance of transportation, but also reduces the volume of earthworks. It reduces the consumption of energy by 1.5-2 times.

Motivated by diffraction experiments on the $\left(2\sqrt{3}\times \sqrt{3}\right)\mathrm{R}{30}^{\circ }$ reconstructed Si(111) due to deposition of rare earth elements (Dy, Tb) and silicide formation we analyse the splitting and non-splitting of superstructure spots. For this purpose, we model diffraction patterns for one dimensional structures generated by the binary surface technique and use supercell models to keep the analysis simple. Diffraction pattern are calculated in the framework of the kinematical diffraction theory and they are analyzed as a function of the domains and domain boundaries. Basic properties of the diffraction pattern are analyzed for model systems of a two-fold and a three-fold periodicity. The rules derived from these calculations are applied to the "real-world" system of Si(111)-($\left(2\sqrt{3}\times \sqrt{3}\right)\mathrm{R}{30}^{\circ }$)-RESi$2_{}$ (RE = Dy or Tb). Depending on the combination of domains and domain boundaries of different types a plethora of different features are observed in the diffraction patterns. These are analyzed to determine the sizes of both domain boundaries and domains from experimentally observed splitting of specific superstructure spots.

People have always hoped to be able to fill an entire plane with ``single unit cells'' without periodicity. This wish was realized after the mathematician discovered a 13-sided ``single unit cell'' named `einstein'. These non-periodic tessellations generally exhibit anisotropic properties, making them superior in terms of mechanical performance compared to periodic structures. From the perspective of information entropy, the reason behind the improved mechanical properties of these structures is the higher entropy associated with non-periodic configurations. To quantify the disorder of non-periodic structures, we propose an entropy expression for the `einstein' metamaterial. To demonstrate the mechanical properties of these high-entropy structures, we fabricate specimens using 3D printing and conducte mechanical experiments. For comparative analysis, we also use ABAQUS to perform finite element analysis of the problem. The research results reveal that the mechanical properties of high-entropy structures created by the non-periodic stacking of cells are significantly improved compared to those of low-entropy structures created by periodic stacking. The conclusions drawn from the study of individual issues are generalizable and may be of assistance in future material and structural design.

A problem of efficacy of crystal growth methods for crystallization from solution or melt has been investigated. Axial vibrational control (AVC) technique was considered as a perspective method to manage both heat-mass transfer and chemical component composition of the melts in the case of crystallization of complex chemical compounds. Numerical modeling and the search for generalized dependencies made it possible to predict the AVC parameters that provide optimal heat and mass transfer modes for creating flat liquid-solid interfaces, as well as the component composition of dissociated melts of various chemical compounds – Ge, NaNO3, CdTe.

The SARS-CoV-2 nucleocapsid protein (N protein) is critical to viral replication by undergoing liquid-liquid phase separation to seed the formation of a ribonucleoprotein (RNP) complex to drive viral genomic RNA (gRNA) translation and in also suppressing both stress granules and processing bodies which is postulated to increase uncoated gRNA availability. The N protein can also form biomolecular condensates with a broad range of host endogenous proteins including RNA binding proteins (RBPs). Amongst these RBPs are proteins that are associated with pathological neuronal and glial cytoplasmic inclusions across several adult-onset neurodegenerative disorders, including TAR DNA binding protein 43 kDa (TDP-43) which forms pathological inclusions in over 95% of amyotrophic lateral sclerosis cases. In this study, we demonstrate that the N protein can form biomolecular condensates with TDP-43 and that this is dependant on the N protein C-terminus domain (N-CTD) and the intrinsically disordered C-terminus domain of TDP-43. This process is markedly accelerated in the presence of RNA. In silico modelling suggests that the biomolecular condensate that formed in the presence of RNA is composed of a N protein quadriplex in which the intrinsically disordered TDP-43 C terminus domain is incorporated.

Histones are keys to many epigenetic events and their complexes have therapeutic and diagnostic importance. The determination of the structures of histone complexes is fundamental in the design of new drugs. Computational molecular docking is widely used for the prediction of target-ligand complexes. Large, linear peptides like the tail regions of histones are challenging ligands for docking due to their large conformational flexibility, extensive hydration, and weak interactions with the shallow binding pockets of their reader proteins. Thus, fast docking methods often fail to produce complex structures of such peptide ligands at a level appropriate for drug design. To answer this challenge, and improve the structural quality of the docked complexes, post-docking refinement has been applied using various molecular dynamics (MD) approaches. However, a final consensus has not been reached on the desired MD refinement protocol. In the present study, MD refinement strategies were systematically explored on a set of problematic complexes of histone peptide ligands with relatively large errors in their docked geometries. Six protocols were compared that differ in their MD simulation parameters. In all cases, pre-MD hydration of the complex interface regions was applied to avoid the unwanted presence of empty cavities. The best-performing protocol achieved a median of 32 % improvement over the docked structures in terms of the change of root mean squared deviations from the experimental references. The influence of structural factors and explicit hydration on the performance of post-docking MD refinements was also discussed to help their implementation in future methods and applications.

Magnaporthe oryzae is a filamentous heterothallic ascomycete fungus globally distributed in rice-growing regions and serves as the causative agent of rice blast disease. Populations shaped by environmental factors and human intervention play important roles in the formation of genetic structure. In this study, population structures and spatiotemporal dynamics were investigated based on the large-scale whole genomic sequences of rice-infecting M. oryzae around the world. By analyzing the genetic structures, we identified divergent clades that crossed geographic boundaries. While we observed associations between the isolates and their geographic origins, we also found that there were frequent migration events occurring worldwide. The populations in Asia demonstrated the highest genetic diversity due to the continent’s history of rice domestication, followed by separate gene flows to Africa, North America, South America and Europe. Within Asia, China was the migration origin, facilitating gene flows to Japan and South Korea. Additionally, our analysis of the evolutionary history of global M. oryzae populations provided insights into the population expansion that has taken place in recent decades. Overall, our findings indicate that human-mediated gene flows played a pivotal role in shaping the genetic structure of M. oryzae.

Micro-combs [1-4] - optical frequency combs generated by integrated micro-cavity resonators – offer the full potential of their bulk counterparts [5,6], but in an integrated footprint. The discovery of temporal soliton states (DKS – dissipative Kerr solitons) [4,7-11] as a means of mode-locking micro-combs has enabled breakthroughs in many fields including spectroscopy [12,13], microwave photonics [14], frequency synthesis [15], optical ranging [16,17], quantum sources [18,19], metrology [20,21] and more. One of their most promising applications has been optical fibre communications where they have enabled massively parallel ultrahigh capacity multiplexed data transmission [22,23]. Here, by using a new and powerful class of micro-comb called “soliton crystals” [11], we achieve unprecedented data transmission over standard optical fibre using a single integrated chip source. We demonstrate a line rate of 44.2 Terabits per second (Tb/s) using the telecommunications C-band at 1550nm with a spectral efficiency – a critically important performance metric - of 10.4 bits/s/Hz. Soliton crystals exhibit robust and stable generation and operation as well as a high intrinsic efficiency that, together with a low soliton micro-comb spacing of 48.9 GHz enable the use of a very high coherent data modulation format of 64 QAM (quadrature amplitude modulated). We demonstrate error free transmission over 75 km of standard optical fibre in the laboratory as well as in a field trial over an installed metropolitan optical fibre network. These experiments were greatly aided by the ability of the soliton crystals to operate without stabilization or feedback control. This work demonstrates the capability of optical soliton crystal micro-combs to perform in demanding and practical optical communications networks.

The pursuit of materials that offer both wear comfort and protection for functional and protective clothing has led to the exploration of weft-knitted spacer structures. Traditional cushioning materials such as spacer fabrics and laminated foam often suffer from deformation under compression stresses, thus compromising their protective properties. This study investigates the enhancement of the force absorption, stress-strain and thermal properties of weft-knitted spacer fabrics with inlays. Surface yarns with optimal stretchability and thermal properties are used and combined with elastic yarns in various patterns to fabricate nine different inlay samples. The mechanical and thermal properties of these samples are systematically analyzed, including their compression, stretchability, thermal comfort and surface properties. The results show that the inlay spacer fabric exhibits superior compression properties and thermal conductivity compared to traditional laminated foam and spacer fabrics, while maintaining stretchability, thus providing a better performance than traditional fabrics for protective clothing and wearable cushioning products. This study further confirms that the type of inlay yarn and inlay structure are crucial factors that significantly influence the thermal, tensile and compressive properties of fabric. This research provides valuable insights into the design and development of advanced textile structures to improve wear comfort and protection in functional garment applications.

Temperature Cycle Induced Deracemization (TCID) offers a promising approach to obtain enantiopure solids from racemic mixtures. By combining rapid racemization in solution and temperature swings, homochirality is theoretically achieved. Despite theoretical expectations of doubled yields compared to traditional chiral separation methods, such as in Preferential Crystallization, experimental validation remains lacking. We applied TCID to (1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl) pentan-3-one) (Cl-TAK), introducing a post-TCID cooling step to enhance yield and a washing step to augment enantiopurity. This refinement yielded an 89.8% mass yield with 99.1% enantiomeric excess in the crystal phase (c.e.e.) within 24 hours on an 8.75g scale, showcasing improved performance with insignificant process duration extension. Additionally, we explored the stochasticity of deracemization, observing the development from low initial crystal enantiomeric excesses(1-6% c.e.e0) at a 2.5 g scale. Kinetic analysis revealed that a 2% c.e.e0 effectively mitigates chiral flipping risks and induction time in our system. Our study underscores the potential for reduced initial c.e.e. to expedite deracemization and presents a straightforward method to optimize yield and purity, facilitating industrial application.

In the conservation of monumental heritage, the collection and utilization of information are of primary importance. The Heritage Building Information Modeling (HBIM) procedure harnesses the potential of three-dimensional models, offering significant advantages in accessing documentation, interoperability, multidimensionality of intervention design, cost evaluation and maintenance management. Attention here is focused on the Certosa di Pisa, a large historical complex built in the 14th century as a monastery of the Carthusian order, currently in a state of deterioration and in need of restoration and re-functionalization. The multifaceted nature of this monumental complex, with its intricate interplay of architectural elements spanning different historical periods and featuring diverse techniques, poses a significant challenge for structural safety assessment. This case study presents an opportunity to explore an HBIM approach to streamline the diagnostic process and facilitate the intervention design phase. The goal is achieved by utilizing an accurate 3D model enriched with data from multiple sources and automating certain operations for structural assessment. The usefulness of the HBIM methodology is highlighted as a valuable tool in the realm of Cultural Heritage structures for both technicians and scholars alike.

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.

The construction time of concrete structures in hydraulic tunnels is long, the construction environment is complex, and there are many influencing factors. The requirements for construction quality are high, not only to meet the strength requirements, but also to meet the design requirements of erosion resistance, crack resistance, and seepage resistance according to its specific operating environment. Therefore, evaluating the construction quality of concrete structures in hydraulic tunnels is of great significance. Considering the randomness and fuzziness of factors affecting the construction quality of concrete structures in hydraulic tunnels, this paper proposes a comprehensive evaluation model based on Combined Weighting (CWM) and Uncertainty Measurement Theory (UM). The IAHP method and CRITIC method are used to determine the subjective and objective weights of evaluation indicators, combined weighting is based on the principle of minimum entropy, and the UM method is used to evaluate the construction quality level. Finally, taking a hydraulic tunnel as an example, its construction quality grade is calculated to be III according to the evaluation model proposed in this paper, which matches with the engineering reality, and a comparative study is made with the mixture element topology theory at the same time. It is verified that the evaluation model can scientifically and reasonably evaluate the construction quality level of concrete structures in hydraulic tunnels.

Tertiary lymphoid structures (TLSs) have become the focus of antitumor immunity. However, the prognostic significance of TLSs in epithelial ovarian cancer (EOC) treated with primary debulking surgery (PDS) or interval debulking surgery (IDS) remains unelucidated. This retrospective study examined the prognostic value of TLSs in tumor tissues obtained during PDS and IDS. Pathological specimens were collected from patients with EOC who underwent PDS or IDS between 2017 and 2020 at the National Cancer Center Hospital East. The correlation of tumor-infiltrating lymphocyte frequency, TLS presence, and PD-L1 expression with progression-free survival (PFS) and overall survival (OS) and the correlation between TLS and PD-L1 expression were analyzed. Overall, 25 specimens (15 from PDS and 10 from IDS) were analyzed. The presence of TLS was associated with a significantly longer OS in patients who underwent PDS but not in patients who underwent IDS. No correlation was identified between TLS and PFS in patients with PDS or with IDS. However, TLS was positively correlated with PD-L1 positivity. The prognostic impact of TLS, specifically in pre-chemotherapy specimens, and a positive correlation between TLS and PD-L1 indicate the potential of TLS as a meaningful biomarker for understanding antitumor immunity and developing immunotherapy for EOC.

CCCTC-binding factor (CTCF) is a conserved transcription factor that performs diverse roles in transcriptional regulation and chromatin architecture. Cancer genome sequencing reveals diverse acquired mutations in CTCF, which we have shown, functions as a tumour suppressor gene. While CTCF is essential for embryonic development, little is known of its absolute requirement in somatic cells and the consequences of CTCF haploinsufficiency. We examined the consequences of CTCF depletion in immortalised human and mouse cells using shRNA knockdown and CRISPR/Cas9 genome editing and examined the growth and development of heterozygous Ctcf (Ctcf^+/-) mice. We also analysed the impact of CTCF haploinsufficiency by examining gene expression changes in CTCF-altered endometrial carcinoma. Knockdown and CRISPR/Cas9-mediated editing of CTCF reduced the cellular growth and colony-forming ability of K562 cells. CTCF knockdown also induced cell cycle arrest and a pro-survival response to apoptotic insult. However, in p53 shRNA-immortalised Ctcf^+/- MEFs we observed the opposite: increased cellular proliferation, colony formation, cell cycle progression and decreased survival after apoptotic insult compared to wild type MEFs. CRISPR/Cas9-mediated targeting in Ctcf^+/- MEFs revealed a predominance of in-frame microdeletions in Ctcf in surviving clones, however protein expression could not be ablated. Examination of CTCF mutations in endometrial cancers showed locus-specific alterations in gene expression due to CTCF haploinsufficiency, in concert with downregulation of tumour suppressor genes and upregulation of estrogen-responsive genes. Depletion of CTCF expression imparts a dramatic negative effect on normal cell function. However, CTCF haploinsufficiency can have growth-promoting effects consistent with known cancer hallmarks in the presence of additional genetic hits. Our results confirm the absolute requirement for CTCF expression in somatic cells and provide definitive evidence of CTCF’s role as a haploinsufficient tumour suppressor gene. CTCF genetic alterations in endometrial cancer indicate that gene dysregulation is a likely consequence of CTCF loss, contributing to, but not solely driving cancer growth.

The fundamental period is one of the most important parameters for the design of new structures , as well as the estimation of the capacity of existing ones. However, its calculation requires the solution of an eigenvalue problem. Especially for new buildings, this can involve material and geometric parameters that are not known beforehand. Thus, to estimate it, various design codes and researchers have adopted a several approximate analytical equations based on a number of key structural parameters. To this end, the present study introduces a novel methodology for the derivation of analytical equations for the fundamental period of Reinforced Concrete (RC) structures. The methodology is based on Machine Learning (ML) explainability techniques and specifically the so-called SHapley Additive exPlanations (SHAP) values. The novel methodology allows these equations to be constructed sequentially and in an informed manner, controlling the balance between accuracy and complexity. An extended dataset comprised of 4026 data points is employed. The results showed excellent accuracy, with a coefficient of determination R2≈0.95. This demonstrates the potential applicability of the proposed methodology in a wide array of similar engineering challenges.

In contemporary construction, the prevalence of vibration serviceability issues in lightweight and slender structures has become increasingly common, owing to advancements in building materials and construction methods. While these structures often meet the criteria for ultimate limit states, they can still elicit complaints due to excessive vibrations induced by human activity. To address this challenge, the Integral Resonant Control (IRC) technique has emerged as a favored approach for actively damping vibrations in various systems. This study introduces a fresh perspective on implementing a multi-input multi-output (MIMO) IRC scheme for active vibration control (AVC) specifically tailored for pedestrian structures utilizing inertial mass actuators. Building upon a common framework and design methodology outlined in previous research, this work presents a novel application of MIMO IRC for AVC. The designed controller is rigorously tested and implemented on a laboratory floor structure to validate its efficacy.

We report the results of an analysis of the functional capabilities of the KTP crystal and its isomorphs for nonlinear-optical frequency conversion of all types of interaction in the transparency range of the crystal. The possibility of implementing angle-, wavelength- (frequency-) and temperature-noncritical phase matching is shown.

Molecular visualisation is fundamental in the current scientific literature, textbooks and dissemination materials, forming an essential support for presenting results, reasoning on and formulating hypotheses related to molecular structure. Visual exploration has become easily accessible on a broad variety of platforms thanks to advanced software tools that render a great service to the scientific community. These tools are often developed across disciplines bridging computer science, biology and chemistry. Here we first describe a few Swiss Army knives geared towards protein visualisation for everyday use with an existing large user base, then focus on more specialised tools for peculiar needs that are not yet as broadly known. Our selection is by no means exhaustive, but reflects a diverse snapshot of scenarios that we consider informative for the reader. We end with an account of future trends and perspectives.

Layered superconductors are attractive because some of them show high critical temperatures. While their crystal structures are similar, those compounds are composed of many elements. Compounds with many elements tend to be incongruent melting compounds, thus, their single crystals cannot be grown via the melt-solidification process. Hence, these single crystals have to be grown below the decomposition temperature, and then the flux method, a very powerful tool for the growth of these single crystals with incongruent melting compounds, is used. This review shows the flux method for single-crystal growth technique by self-flux, chloride-based flux, and HPHT (high-pressure and high-temperature) flux method for many-layered superconductors: high-T_c cuprate, Fe-based and BiS₂-based compounds.

Surveys on the optimum seismic design of structures reveal that many investigations focus on how to minimize its initial cost while satisfying the performance constraints. Although reducing the initial cost while complying with the requirements of earthquake design codes of practice will significantly guarantee the life safety of occupants against earthquakes, it may still cause considerable economic losses to residents and fatalities. Accordingly, calculating the possible earthquake damages caused during the structure's lifetime may become essential from the optimal Life Cycle Cost (LCC) design point of view. LCC analysis is used to evaluate economic feasibility including construction, operation, occupancy, maintenance and end-of-life costs. For optimization, the population-based, meta-heuristic algorithm based on the Ideal Gas Molecular Movement (IGMM), has established its capability in solving highly nonlinear mono and multi-objective engineering problems. Therefore, this paper investigates the LCC -based mono and multi-objective optimum design of a 3-D four-story concrete building structure combined with the Endurance Time (ET) competence. The results show that, apart from substantially reducing the total number of analyses required, the proposed technique significantly affected dipping minor injury cost, rental, and income costs by 22%, 16%, and 16%, respectively. In total, a 10% reduction in all structural life-cycle costs was achieved, which could well be considered significant.

Gracilaria lamaneiformis, a red seaweed, is an abundant source of bioactive polysaccharides with significant health-promoting properties. Nevertheless, the broad application of G. lamaneiformis in the nutraceutical and pharmaceutical sectors remains constrained due to the absence of comprehensive data. This review provides a detailed examination of the preparation methods, structural characteristics, and biological activities of G. lamaneiformis polysaccharides (GLP). We explore both conventional and advanced extraction techniques, highlighting the efficiency and yield improvements achieved through methods such as microwave-, ultrasonic-, and enzyme-assisted extraction. The structural elucidation of GLP using modern analytical techniques, including high-performance liquid chromatography, gas chromatography, and nuclear magnetic resonance spectroscopy, is discussed, providing comprehensive insights into their molecular composition and configuration. Furthermore, we critically evaluate the diverse biological activities of GLP, including their antioxidant, anti-inflammatory, antitumor, and gut microbiota modulation properties. This review underscores the therapeutic potential of GLP and suggests future research directions to fully harness their health benefits.

Waterbomb structures are origami-inspired deformable structural components used in new types of robots. They have a unique radially deployable ability that enables robots to better adapt to their environment. In this paper, we propose a series of new waterbomb structures with square, rectangle, and parallelogram base units. Through quasi-static axial and radial compression experiments and numerical simulations, we prove that the parallelogram waterbomb structure has a twist displacement mode along the axial direction. Compared with the square waterbomb structure, the proposed optimal design of the parallelogram waterbomb structure reduces the critical axial buckling load-to-weight ratio by 55.4% and increases the radial stiffness-to-weight ratio by 67.6%. The significant increase in the radial stiffness-to-weight ratio of the waterbomb structure and decrease in the critical axial buckling load-to-weight ratio make the proposed origami pattern attractive for practical robotics applications.

This study addresses the critical need for standardizing Building Information Modeling (BIM) Execution Plans (BEPs) in the Architecture, Engineering, Construction, and Operations (AECO) sector. By analyzing 36 BEP documents from international organizations, we identify key elements and propose a comprehensive framework aimed at enhancing digital transformation and collaboration in complex construction projects. This research employs scientometric analysis to map the evolution of BEP standards and integrates empirical data from industry surveys to validate the proposed framework. Our findings highlight the benefits of standardized BEPs in reducing inefficiencies and improving project outcomes, thereby providing a significant contribution to the field of BIM implementation.

In the paper the experimental methodology for the single-crystal circular plate deformation measurement and subsequent procedure for mechanical properties quantitation are developed. The procedure is based on a new numerical-analytical solution of nonlinear boundary-value problem for finite deformations of a circular anisotropic plate. Using the developed method, a study of the deformation of single-crystal circular plates formed on the basis of a silicon-on-insulator structure was carried out. The values of residual stresses are determined and it is shown that the presence of these stresses increases the flexural rigidity of the plate in several times.

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

Antimony (Sb) Substitution less than 10 % is examined on a single crystal of a layered superconductor NdO_0.7F_0.3BiS₂. Superconducting transition temperature of the substituted samples decreases with increasing Sb concentration. A lattice constant along the c axis showed a large decrease compared with that along the a axis. Since in-plane chemical pressure monotonically decreases with increasing Sb concentration, the suppression of the superconductivity is well described in terms of the decrease in in-plane chemical pressure.

A multiscale model that enables quantitative understanding and prediction of the size effect on scattering properties of micro- and nanostructures is crucial for the design of LED surface textures optimized for high light extraction efficiency (LEE). In this paper, a hybrid process for combining full-wave finite-difference time-domain simulation and a ray-tracing technique based on a bidirectional scattering distribution function model is proposed. We apply this method to study the influence of different pattern sizes of a patterned sapphire substrate on GaN-based LED light extraction from the microscale to the nanoscale. The results show that near-wavelength–scaled patterns with strong diffraction are not expected to enhance LEE. By contrast, microscaled patterns with optical diffusion behavior have the highest LEE at a specific aspect ratio, and subwavelength-scaled patterns that have antireflection properties show marked enhancement of LEE for a wide range of aspect ratios.

Aluminium alloys are used for fabrication of fuel clad of research grade nuclear reactors as well as of several types of core components of high flux research reactors. In order to carry out design and safety analysis of these components, their mechanical and fracture properties are required by the designer. In this work, experiments have been conducted on tensile specimens machined from an aluminium alloy block to evaluate the material stress-strain curve. For evaluation of fracture properties, experiments have been conducted on disc shaped compact tension specimens in order to determine the fracture toughness of aluminium alloy. From crystal plasticity based finite element analysis and experimental data, a material damage parameter for prediction of crack initiation has been evaluated. The variation of the parameter for various values of initial a/W ratios of the disc-shaped CT specimens have been studied. It was observed that the damage parameter is independent of crack geometry and hence, it qualifies as transferable material property which can be used to predict crack initiation in a component of this material subjected to different kinds of loading conditions. In addition, the JR curves of the disc-shaped CT specimens have also been evaluated from experiments. The material damage parameter has also been used to study the crack initiation in single crystal fracture specimens with two different orientations. It was observed that the [111] orientation is more susceptible to crack initiation and propagation compared to the [100] orientation as the damage parameter is high in the ligament of the specimen ahead of the crack-tip for the same level of load. The results of the experiments and the material damage parameter shall be helpful for integrity analysis of fuel clad of research reactors as well as components of high flux research reactors.

We address the problem of finding a unique graph embedding that best describes a graph's "topology". This issue is of particular interest in the chemistry of materials. Graphs that admit a tiling in 3-dimensional Euclidean space are termed tessellate, those that do not decussate. We give examples of decussate and tessellate graphs that are finite and 3-periodic. We conjecture that a graph has at most one tessellate embedding. We give reasons for considering this the default "topology" of periodic graphs.

The Svenonius theorem establishes the correspondence between definability of relations in a countable structure and automorphism groups of these relations in the extension of the structure. This correspondence may help in finding the description of the definability lattice constituted by all definability spaces (reducts) of the original structure. However, the major difficulty here is the necessity to consider the extensions which generally are obscure and hardly amenable to classification. Because of that results on definability lattices were obtained only for $\omega$-categorical structures (i.\,e. those in which all elementary extensions are isomorphic to the structure itself). All known definability lattices for such structures proved to be finite. In this work we introduce the concept of upwards complete structure as such in which all its extensions are isomorphic. Further we define upwards completions structures. For such structures Galois correspondence between definability lattice and the lattice of closed supergroups of automorphism group of the structure is an anti-automorphism. These lattices could be infinite in general. We describe the natural class of structures which have upwards completion, that is discretely homogeneous graphs, present the explicit constrcution of their completion and automorphism groups of completions. We establish the general \emph{localness} property of discretely homogeneous graphs and present the examples of completable structures and their completions.

In this paper, we investigate various graphene monolayer nanomesh structures (diodes) formed only by nanoholes, with a diameter of just 20 nm and etched from the graphene layer in different shapes (such as rhombus, bow-tie, rectangle, trapezoid, and triangle), and their electrical properties targeting electromagnetic energy harvesting applications. In this respect, the main parameters characterizing any nonlinear device for energy harvesting are extracted from tens of measurements performed on a single chip containing the fabricated diodes. The best nano-perforated graphene structure is the triangle nanomesh one, which exhibits remarkable performance in terms of its characteristic parameters, i.e., a 420 Ω differential resistance for optimal impedance matching to an antenna, a high responsivity greater than 1000 V/W, and a low noise equivalent power of 847 pW/√Hz at 0 V.

The astro-structures with the shape of comet and semi-circle, are found in the electronegative inductively coupled plasmas (ICPs), e.g., Ar/O2 and Ar/SF6. They are formed by means of the self-coagulation theory. This theory is built and based on two-dimensional fluid model simulation dynamic data of the above ICP sources. Concretely, quasi-Helmholtz equation is constructed through the free diffusion transport component and a novel negative chemical source term. The absolute value of recombination rate is higher than the attachment rate and so the net source of simulated anion is negative. This is quite a new chemical phenomenon in the electronegative and gaseous discharging plasmas when compared to the previously reported normal positive chemical source that will generate ambi-polar diffusion potential. In electronegative plasma, the self-coagulation is ambi-polar to sustain the electrical neutrality. Besides, when the anions are accelerated by ambi-polar potential before self-coagulated, the self-coagulation is again advective which leads to the formation of blue sheath. At the ambi-polar self-coagulation of high electronegativity, the electrons dynamics are relatively decoupled from ions and meanwhile they have their own relatively weak, spontaneous, and monopolar self-coagulation in the periphery of astro-structure. At the ambi-polar self-coagulation, both the anion and cation are individually treated as mass point models that carry charge (point charge models, more precisely). When the charge amounts of two individual astr-structures, e.g., semi-circle SF3+ and Ar+, are equal, the coagulated profile of heavy species SF3+ collapses by the expelling effect of Coulomb force that exists between the two point-charges. This is an anti-collective behavior of astro-structure, instead of the collective interaction of plasma, since the collapse of coagulated heavy species creates spatially dispersed charge density that cannot be shielded. The simulation shows that the lighter the species, the easier it self-coagulates, determined by the inertial effect of density quantity. The discharge picture of electronegative plasma is combined by a dynamic continuum transport (e.g., forming the ellipse background) and the mechanical balance contained in the static self-coagulation process (proven by dimensional analysis of continuity equation). The popular astro-structure of electronegative ICP source awaits urgently for the validation of experiment.

This review contains a popular presentation of the history of carbon nanostructure discovery, a short description of the main approaches to production and investigation of such objects and consideration of the most perspective ways of their applied usage.

This study reports on the development of bio-based hydrophobic coatings for packaging papers through deposition of polyhydroxybutyrate (PHB) particles in combination with nanofibrillated cellulose (NFC) and plant wax. In a first approach, PHB particles in micrometer range (PHB-MP) were prepared through a phase-separation technique providing internally nanosized structures. The particles were transferred as a coating by dip-coating filter papers in the particle suspension, followed by sizing with a carnauba wax solution. This approach allowed partial to almost full surface coverage of PHB-MP over the paper surface resulting in static water contact angles of 105° to 122° and 129° to 144° after additional wax coating. In a second approach, PHB particles with submicron sizes (PHB-SP) were synthesized by an oil-in-emulsion (o/w) solvent evaporation method, and mixed in aqueous suspensions with 0 to 7 wt% NFC. After dip-coating filter papers in PHB-SP/NFC suspensions and sizing with a carnauba wax solution, static water contact angles of 112° to 152° were obtained. The intrinsic properties of the particles were analyzed by scanning electron microscopy, thermal analysis and infrared spectroscopy, indicating higher crystallinity for PHB-SP than PHB-MP. The chemical interactions between the more amorphous PHB-MP particles and paper fibers were identified as an esterification reaction, while the morphology of the NFC fibrillar network was playing a key role as binding agent in the retention of more crystalline PHB-SP at the paper surface, hence contributing to higher hydrophobicity.

We report a photonic-based radio frequency (RF) arbitrary waveform generator (AWG) using a soliton crystal micro-comb source with a free spectral range (FSR) of 48.9 GHz. The comb source provides over 80 wavelengths, or channels, that we use to successfully achieve arbitrary waveform shapes including square waveforms with a tunable duty ratio ranging from 10% to 90%, sawtooth waveforms with a tunable slope ratio of 0.2 to 1, and a symmetric concave quadratic chirp waveform with an instantaneous frequency of sub GHz. We achieve good agreement between theory and experiment, validating the effectiveness of this approach towards realizing high-performance, broad bandwidth, nearly user-defined RF waveform generation.

Interest grows in designing silicon-on-insulator slot waveguides to trap optical fields in subwavelength-scale slots and developing their optofluidic devices. However, it is worth noting that the inherent limitations of the waveguide structures may result in high optical losses and short optical paths, which challenge the device performance in optofluidics. Incorporating the planar silicon-based slot waveguide concept into a silica-based hollow-core fiber can provide a perfect solution to realize an efficient optofluidic waveguide. Here we propose a subwavelength-scale liquid-core hybrid fiber (LCHF), where the core is filled with carbon disulfide and surrounded by a silicon ring in a silica background. The waveguide properties and the Stimulated Raman Scattering (SRS) effect in the LCHF are investigated. The fraction of power inside the core of 56.3% allows an improved sensitivity in optical sensing; while the modal Raman gain of 23.60 m-1·W-1 is 2 times larger than that generated around a nano fiber with the interaction between the evanescent optical field and the surrounding Raman media benzene-methanol, which enables a significant low-threshold SRS effect. Besides, this in-fiber structure features compactness, robustness, flexibility, ease of implementation in both trace sample consumption and reasonable liquid filling duration, as well as compatibility with optical fiber systems. The detailed analyses of the properties and utilizations of the LCHF suggest a promising in-fiber optofluidic platform, which provides a novel insight into optofluidic devices, optical sensing, nonlinear optics, etc.

Facility Management (FM) has increasingly focused on using Building Information Modeling (BIM) in large-scale development projects. To successfully integrate BIM in the FM sector, cooperation among different participants involved in various project stages must be improved. The objective of this digital revolution in FM is to enhance the efficacy of planning, constructing, and managing assets, benefiting all parties involved. However, the utilization of BIM in FM is limited due to factors such as incomplete owner understanding, insufficient data accessibility, and stakeholders' unfamiliarity with BIM procedures and standardization. Although the FM industry acknowledges BIM's significance, achieving successful implementation remains challenging. Facility managers lack a clear understanding of BIM's benefits in expediting operations and cost efficiency and the necessary skills for efficient utilization. To address this constraint, it is essential to develop an Employee’s Information Requirement (EIR) at the outset of a project, serving as a strategic plan and providing a comprehensive vision for all parties involved, particularly large-scale projects. Two essential technologies that facilitate the transition towards building operations are BIM and the Internet of Things (IoT). Incorporating these technologies is crucial to reducing time, expenses, and operational challenges throughout any project. The aim of this research is to create a Digital-Trio workflow, as a new expression, by providing a methodology for using facility management with BIM through the integration of EIR and IoT, maximizes the benefit of stakeholders strategically and operationally. It also explores how the preparation of the EIR by communicating with all parties will definitely improve the design process, sustainability, efficiency, cost, and time for any project, especially megaprojects.

Two ferrocene derivatives, namely, 1,2-(tetramethylene)-ferrocene and 1,2,1’,2’-bis(tetramethylene)-ferrocene, were synthesized in a four-step reaction sequence starting from ferrocene. Friedel-Craft acylation of ferrocene with succinic anhydride gave mono- or bis(3-carboxypropinoyl)ferrocene depending on the stoichiometry of succinic anhydride. The reduction of the keto groups to methylene, followed by ring-closing using trifluoroacetic anhydride gave 1,2-(α-ketotetramethylene)-ferrocene or 1,2,1’,2’-bis(α-ketotetramethylene)ferrocene. The diastereomeric mixture of the latter diketones was separated by column chromatography, characterized by single-crystal X-ray analysis, and assigned their stereochemistry. Reduction of the keto groups to methylene under Clemmensen conditions gave homoannular mono- or bis(tetramethylene) ferrocene derivatives. The molecular structure of 1,2-(tetramethylene)-ferrocene revealed that the ipso carbon atoms of the cyclopentadienyl group are 0.023(3) Å farther away from Fe(II) compared to the remaining three carbon atoms. Both complexes exhibit lower half-wave oxidation potentials than ferrocene, possibly due to the electron-releasing effects of the tetramethylene bridges.

To date, the development of unmanned technologies using autonomous underwater vehicles (AUV) has become an urgent demand for solving the problem of inspection of industrial sub-sea structures. A key issue here is precise localization of AUVs relative to underwater objects. However, the well-known challenges of recognizing and coordinating underwater objects (impossibility to use GPS, undercurrents, etc.) do not allow high-precision navigation if based solely on a standard suite of AUV navigation tools (sonars, etc.). An alternative is a technology of processing of optical images that, at short distances, can provide higher accuracy of AUV navigation compared to a technology of acoustic measurement processing. In this study, in the context of the problem of subsea production system inspection, we propose a method to recognize underwater objects and provide coordinate reference of AUV to them, based on stereo-image processing. Its distinctive features are the use of a non-standard technique for generating a geometric model of an object from its views (foreshortening) taken from positions of a pre-made overview trajectory, the use of various characteristic geometric elements when recognizing objects, and the original algorithms for comparing visual data of the inspection trajectory with an a priori model of the object.

The crystal nucleation and overall crystallization kinetics of cross-linked poly(ε-caprolactone) was studied experimentally by fast scanning calorimetry in a wide temperature range. With an increasing degree of cross-linking, both the nucleation and crystallization half-times increase. Concurrently, the glass transition range shifts to higher temperatures. In contrast, the temperatures of the maximum nucleation and the overall crystallization rates remain the same independent of the degree of cross-linking. The cold crystallization peak temperature generally increases as a function of heating rate, reaching an asymptotic value near the temperature of the maximum growth rate. A theoretical interpretation of these results is given in terms of classical nucleation theory. In addition, it is shown that the average distance between the nearest cross-links is smaller than the estimated lamellae thickness, which indicates the inclusion of cross-links in the crystalline phase of the polymer.

Hybrid metal-organic compounds as relatively new and prosperous magnetoelectric multiferroics provide opportunities to improve the polarization, magnetization and magneto-electric coupling at the same time, which usually have some limitations in the common type-I and type-II multiferroics. In this work we investigate the crystal of guanidinium copper(II) formate [C(NH2)3]Cu(HCOO)3 and give novel insights concerning the structure, magnetic, electric and magneto-electric behaviour of this interesting material. Detailed analysis of crystal structure at 100 K is given. Magnetization points to the copper(II)-formate spin-chain phase that becomes ordered below 4.6 K into the canted antiferromagnetic (AFM) state, as a result of super-exchange interaction over different formate bridges. The performed ab-initio colinear density functional theory (DFT) calculation confirm the AFM-like ground state as a first approximation and explain the coupling of spin-chains into the AFM ordered lattice. In versatile measurements of magnetization of a crystal, including transverse component besides the longitudinal one, very large anisotropy is found that might originate from canting of the coordination octahedra around copper(II) in cooperation with the canted AFM order. With cooling down in zero fields the generation of spontaneous polarization is observed step-wise below 270 K and 210 K and the effect of magnetic field on its value is observed also in the paramagnetic phase. Measured polarization is somewhat smaller than the DFT value in the c-direction, possibly due to twin domains present in the crystal. The considerable magneto-electric coupling below the magnetic transition temperature is measured with different orientations of the crystal in magnetic field, giving altogether the new light onto the magneto-electric effect in this material.

A recently developed thermodynamic theory for the determination of the driving force of crystallization and the crystal–melt surface tension is applied to the ice–water system employing the new Thermodynamic Equation of Seawater TEOS-10. The deviations of approximative formulations of the driving force and the surface tension from the exact reference properties are quantified, showing that the proposed simplifications are applicable for low to moderate undercooling and pressure differences to the respective equilibrium state of water. The TEOS-10 based predictions of the ice crystallization rate revealed pressure-induced deceleration of ice nucleation with an increasing pressure, and acceleration of ice nucleation by pressure decrease. This result is in, at least, qualitative agreement with laboratory experiments and computer simulations. Both the temperature and pressure dependencies of the ice–water surface tension were found to be in line with the le Chatelier–Braun principle, in that the surface tension decreases upon increasing degree of metastability of water (by decreasing temperature and pressure), which favors nucleation to move the system back to a stable state. The reason for this behavior is discussed. Finally, the Kauzmann temperature of the ice–water system was found to amount TK=116K, which is far below the temperature of homogeneous freezing. The Kauzmann pressure was found to amount pK=-212MPa, suggesting favor of homogeneous freezing upon exerting a negative pressure on the liquid. In terms of thermodynamic properties entering the theory, the reason for the negative Kauzmann pressure is the higher mass density of water in comparison to ice at the melting point.

Waste glycerol can be subjected to various processing operations, including purification and re-fining, to obtain glycerol of appropriate purity. In addition, alternative methods of utilising waste glycerol are also being sought, e.g. by converting it into other valuable chemical products or biofuels. Therefore, various technologies are being developed to utilise this type of waste effectively and sustainably. The production of value-added products from waste glycerol is an important issue that determines the improvement of the economic viability of biofuel production and corresponds to the model of a waste-free and emission-free circular economy. This paper characterised the mechanisms and evaluated the efficiency of existing methods of microbiological utilisation of waste glycerol into liquid biofuels, including biodiesel, bioethanol and biobutanol, and identified further directions for the production of value-added products. In addition, a bibliographical analysis of publications re-lated to the production of liquid fuels and economically valuable products from glycerol was carried out, the progress of research and application work was assessed and directions for future research were identified.

: The silicon single crystals for semiconductor application is usually grown by Czochralski (CZ) method. This paper researches 300mm silicon Czochralski (CZ) crystal growth with CUSP magnetic field for IGBTs substrate application. The different positions of Zero-Gauss plane (ZGP) under CUSP magnetic field are simulated and compared to numerical analysis, investigated melt convection, melt flow velocity near to quartz crucible wall, diffusion boundary layer and effect of initial oxygen concentration in the silicon crystal, and the shape of solid/liquid interface was discussed. The results show that the change of the ZGP of the CMF mainly affects the convection in the melt, which leads to the difference of the thickness of the boundary layer near to the wall of the quartz crucible, and was found to be the key to reduce the oxygen dissolution from the crucible wall and oxygen diffuse into the crystal, along with the differences in the shape of the crystal-melt interface. In addition, we have carried out actual industrial single crystal production under the three configurations. The results show that the experimental data of oxygen content and shape of the crystal-melt interfaces in silicon crystal are consistent with the numerical results.

A temperature-modulated pyroelectricity measurement system for a small single crystal is developed and applied to standard sample measurements performed on a thin single crystal of lithium niobate. The modulation measurement is based on the AC technique, in which the temperature of the sample is periodically oscillated, and the synchronized pyroelectric signal is extracted using a lock-in amplifier. Temperature modulation is applied by irradiating periodic light on the sample placed in the heat exchange gas. To apply this technique to the transparent reference sample, a commercially available black resin is coated on the sample’s surface to absorb the light energy and transmits it to the specimen. The experimental results are analyzed using a two-layer heat transfer model to verify the effect of the light-absorbing layer as well as the non-contact temperature modulation system.

Abstract—In this paper, decidability of the structures of real, rational, integer and natural numbers will be studied in different languages. Decidability or undecidability of mathematical structures is one of the fundamental and sometimes very difficult problems of mathematical logic, where several examples of problems in this field are still open and unresolved even after decades. One of the goals of Mathematical Logic is the axiomatization of mathematical theoriesTarski has proved the decidability of the theory of real and complex numbers in the language of addition and multiplication, and it is proved that theories of natural, integer, and rational numbers, in the language of addition and multiplication, are undecidable (Theorems of Gödel and Robinson). We will review The following problemes: The Main Problem 1: ⟨Q; ⊑⟩ is decidable? Problem 2: an explicit axiomatization for ⟨Z; \times⟩? and we will study boolean algebras. Boolean algebras are famous mathematical structures.Tarski showed the decidability of the elementary theory of Boolean algebras.In this paper, we study the different kinds of Boolean algebras and their properties. And we present for the first-order theory of atomic Boolean algebras a quantifier elimination algorithm. The subset relation is a partial order and indeed a lattice order,And I will prove that the theory of atomic Boolean lattice orders is decidable, and furthermore admits elimination of quantifiers. So the theory of the subset relation is decidable. And we will study decidability of atomlss boolean algebra.

Five years ago, the concept of addressed fiber Bragg structures (AFBS) was proposed, which simultaneously perform the functions of a two-frequency radiation shaper, the difference frequency of which is the AFBS address, and a sensitive element, since the value of the difference frequency is invariant to measured physical fields, and the set of difference frequencies, moreover, is orthogonal in the array of such sensors, enabling their address multiplexing. In this article, we provide an overview of the theory and technology of AFBS, including the structures with three or more spectral components with various combinations of difference frequencies, symmetrical and asymmetric, performing the functions of the address and converting information signals to the low-frequency range at the same time, along with other functions. The subjects of interrogation of these structures, their fabrication and calibration are discussed as well. We also consider a wide range of applications in which AFBS can be used, covering such areas as oil and gas production, power engineering, transport, medicine, etc. In addition, the prospects of AFBS further development are proposed.

This work proposes a hollow-core photonic crystal fiber-based edible oil sensor in the terahertz (THz) range (e.g., 1.0THz ≤ f ≤ 3.0THz) and different sensing characteristics are numerically analyzed. The suggested sensor’s performance was assessed by means of COMSOL Multiphysics, a commercial program that uses the finite element approach. The computational results indicate that the relative sensitivity is 85.591%, 84.648%, 82.625%, 82.683%, and 79.161%, respectively, at f = 2.2 THz, for several types of sunflower oil, mustard oil, coconut oil, olive oil and palm oil; and the corresponding effective areas are 7.22×10-8 um2, 7.09×10-8 um2, 6.83×10-8 um2,7.09×10-8 um2, 6.5231 ×10-8 um2. In addition, the effective material loss for sunflower oil, muster oil, coconut oil, olive oil, and palm oil has been found to be 0.02561 cm-1, 0.027054 cm-1, 0.030322 cm-1, 0.028854 cm-1 ,0.035427cm-1 respectively. Moreover, the proposed sensor also has low confinement loss are 1.55×10-8 dB/m, 1.63×10-8 dB/m, 1.31×10-8 dB/m, 1.99×10-8 dB/m, 4.0345×10-8 dB/m.This proposed sensor can be fabricated using extrusion and 3D-printing technologies, and due to its augmented detecting capabilities, it can be a vital part of oil sensing devices implemented in real life such as industry fields.

The present study aims to develop an efficient numerical method for computing the diffraction and radiation of water waves with horizontal long cylindrical structures, such as floating breakwaters. A higher-order scheme is used to discretize geometry of the structure as well as the relevant physical quantities. As the kernel of this method, Wehausen’s free-surface Green function is calculated by a newly-developed Gauss-Kronrod adaptive quadrature algorithm after elimination of its Cauchy-type singularities. To improve computational efficiency, a Chebyshev approximation approach is applied to a fast calculation of the Green function that needs evaluation thousands of times. In addition, OpenMP parallel technique is used to the formation of influence coefficient matrix, which significantly reduces CPU time. Finally, computations are performed on wave exciting forces and hydrodynamic coefficients for the long cylindrical structures, either floating or submerged. Comparison with other numerical and analytical methods demonstrates good performance of the present method.

The article deals with auxetic structures made on the basis of suitably connected rigid rotating squares (from Grima and Evans), with axes of rotation on the squares’ surface. The geometric model and the resulting relationships that allow for the determination of Poisson’s ratio are considered in detail. It is demonstrated that changing the rotation axis position does not affect the negative Poisson’s ratio, equal to -1. The models built confirm the initial considerations and can offer new application possibilities.

Chikungunya virus (CHIKV) is a mosquito borne RNA virus that poses an emerging threat to humans. As other RNA viruses, CHIKV encodes an error-prone RNA polymerase which, in addition to full-length genomes, gives rise to truncated, non-functional genomes coined defective viral genomes (DVGs). DVGs have been intensively studied in the context of therapy, as they can inhibit viral replication and dissemination in their hosts. In this work, we interrogate the influence of viral RNA secondary structures on the production of CHIKV DVGs. We experimentally map RNA secondary structures of CHIKV genome using selective 2′-hydroxyl acylation analyzed by primer extension and mutational profiling (SHAPE-MaP), which couples chemical labelling with next-generation sequencing. We correlate the inferred secondary structure with preferred deletion sites of CHIKV DVGs. We document an increased probability of DVG generation with truncations at unpaired nucleotides within the secondary structure. We then generated a CHIKV mutant bearing synonymous changes at the nucleotide level to disrupt existing RNA secondary structure (CHIKV-D2S). We show that CHIKV-D2S presents altered DVG generation compared to wild-type virus, correlating with its change in RNA secondary structure obtained by SHAPE-MaP. Our work thus demonstrates that RNA secondary structure impacts CHIKV DVG production during replication.

This report aimed to know the performance of local mineral-based composite ceramic. The materials used consist of Indonesian local minerals, which are jarosite and manganite minerals as sources of oxide iron and Mangan. The materials were synthesized using the precipitation method, whereas composite ceramic was fabricated using a screen printing method and fired at 600 oC using a furnace. The results of the characterizations indicate that the sample forms three phases on diffraction peaks. The differences in the resistance values in ambient and ethanol environments indicate that the sample has very different responses. The high porosity of the sample greatly support the gas adsorption process. Thus, the sample has a high level of sensitivity. With the above characteristics, the composite ceramic which was fabricated has the potential to be applied to gas sensors, especially ethanol gas sensors.

The interband transitions of urania (UO2) are validated independently through cathode luminescence of UO2. A picture emerges consistent with density functional theory. While theory is generally consistent with experiment, it is evident that the choice of functional can significantly alter the band gap and some details of the band structure, in particular at the conduction band minimum. Strictly ab initio predictions of the optical properties of the actinide compounds, based on density functional theory alone continues to be somewhat elusive.

The evaporation of polymer solution droplet is an important in solution-based polymer film fabrications, such as inkjet print, spray coatings, and droplet casting etc. In this work, we investigated the effect of droplet size, solvent evaporation rate, and concentration on “coffee-ring” effect, crystal nucleation, polymorphism, and morphology of dried poly (vinylidene fluoride) (PVDF) solution droplets with atomic force microscopy (AFM) method. We found that the crystal structure, morphology and crystal distribution in the center and edge regions of dried PVDF droplets were different due to “coffee-ring” effect. The “coffee-ring” effect of dried PVDF droplets was mainly composited of accumulated crystals at the edge region of droplet, which was mainly made by crystallization of migrated chains. The interplay between migration of chains, crystallization and solidification of PVDF droplets significantly influenced the formation of “coffee-ring”. In addition, our results showed that the decrease of droplet size and controlling solvent evaporation rate were effective ways to improve the PVDF β-phase nucleation and decrease crystal size.

Oxidative stress-mediated cell death is a major cause of dopaminergic neuronal loss in the substantia nigra (SN) of Parkinson’s disease patients. Ergothioneine (ET), a natural dietary compound, has been shown to have cytoprotective functions, but neuroprotective actions against PD have not been well established. 6-Hydroxydopamine (6-OHDA) is a widely used neurotoxin to simulate the degeneration of dopaminergic (DA) neurons in Parkinson's disease. In this study, we investigated the protective effect of ET on 6-OHDA treated iPSC-derived dopaminergic neurons (iDAs) and further confirmed the protective effects in 6-OHDA treated human neuroblastoma SH-SY5Y cells. In 6-OHDA treated cells, metabolic stress in the form of decreased mitochondrial membrane potential (ΔΨm), increased mitochondrial reactive oxygen species (mROS), reduced cellular ATP levels, and increased total protein carbonylation levels was observed. 6-OHDA treatment also significantly decreased tyrosine hydroxylase levels. These effects were significantly abrogated when ET was present. Verapamil hydrochloride (VHCL), a non-specific inhibitor of the ET transporter, OCTN1, abolished ET’s cytoprotective effects, indicative of an intracellular action. These results suggest that ET could be a potential therapeutic for Parkinson’s disease.

Understanding how novel structures arise is a central question in evolution. The carapace of the waterflea Daphnia is a bivalved “cape” of exoskeleton that surrounds the animal, and has been proposed to be one of many novel structures that arose through repeated co-option of genes that also pattern insect wings. To determine whether the Daphnia carapace is a novel structure, the expression of pannier, the Iroquois gene aurucan, and vestigial are compared between Daphnia, Parhyale, and Tribolium. The results suggest that the Daphnia carapace did not arise by cooption, but instead represents an elongated ancestral exite (lateral lobe or plate) that emerges from a proximal leg segment that was incorporated into the Daphnia body wall. The Daphnia carapace therefore appears to be homologous to the Parhyale tergal plate and the insect wing. In addition, the vg-positive region that gives rise to the Daphnia carapace also appears to be present in Parhyale and Tribolium, which do not form a carapace. Thus, rather than a novel structure resulting from gene co-option, the carapace appears to have arisen from an ancient, conserved developmental field that persists in a cryptic state in other arthropod lineages, but in Daphnia became elaborated into the carapace. Cryptic persistence of serially homologous developmental fields may thus be a general solution for the origin of many novel structures.

We present a theoretical modeling of a cylindrical tunable liquid crystal lens based on the modulation of the anchoring energy. This latter can be easily obtained by means of photoaligning techniques. The liquid crystal cell we propose exhibits strong anchoring at the top substrate and an anchoring energy with parabolic profile at the bottom substrate. The model describes the dependence of the focal length on the applied voltage and presents a theoretical study of lens aberrations. The results obtained are of general relevance and can be used to optimize the performances of every kind of liquid crystal lens with parabolic profile.

The aim of this paper is to create a sensor model based on optical crystal fibers (PCF). The aim of this model is to find and identify zinc cadmium. This thesis looked at three different categories of concentrations. For sensor architecture, PCF was generated using single-mode fiber-to-end split fusion (SM-PCF-SM). In this experiment, a specific wavelength spectrum was used to alter the concentration of materials covering the fiber in order to demonstrate the fiber's sensing capability. The 550nm wavelength has been used as the optical source for the fiber. The change in the output power of the external light was monitored and changes were observed for each concentration of the concentrations around the fiber. It has been found that the fiber is sensitive to small changes in concentrations. The absorption of the fiber has been calculated for the incoming capacity, as well as the losses in the capacity outside the fiber.

For crystal periodic structure prediction, a new and concise approach based on the principles of statistical physics was employed to derive a new form of the equation to determine their period vectors (cell edge vectors), under general external stress. Then the new form is applicable to both classical physics and quantum physics. It also turned out to be the equation of state and the mechanical equilibrium condition for crystals under external stress and temperature. It should be helpful in piezoelectric and piezomagnetic studies, as the period vectors were changed by the external stress. For linear elastic crystals, it is actually also the microscopic but temperature-dependent form of the generalized Hooke's law, then can be used to calculate the corresponding elastic constants of the law, for given temperatures.

We report herein high-resolution x-ray diffraction measurements of basal plane bending of homoepitaxial single-crystal diamond (SCD). The results reveal that growth parameters such as temperature, growth time and basal plane bending of the substrate affect the basal plane bending of SCD. First, the basal plane bending of SCD depends mainly on the substrate itself. The basal plane bending of SCD becomes more severe with increasing basal plane bending of the substrate and this type of basal plane bending cannot be recovered. The SCD growth experiments show that the basal plane bending increases at high temperature and with increasing growth time. Finally, to understand the mechanism behind basal plane bending, we investigate the substrate-surface temperature distribution as a function of basal plane bending of SCD fabricated by chemical vapour deposition (CVD). This allows us to propose a bending model and understand the origin of basal plane bending. The results indicate that an uneven temperature distribution on the substrate surface is the main cause of the CVD diamond base-plane bending.

A construction for the systems of natural and real numbers is presented in Zermelo-Fraenkel Set Thoery, that allows for simple proofs of the properties of these systems, and practical and mathematical applications. A practical application is discussed, in the form of a Simple and Linear Fast Adder (Patent Pending). Applications to finite group theory and analysis are also presented. A method is illustrated for finding the automorphisms of any finite group $G$, which consists of defining a canonical block form for finite groups. Examples are given, to illustrate the procedure for finding all groups of $n$ elements along with their automorphisms. The canonical block form of the symmetry group $\Delta_4$ is provided along with its automorphisms. The construction of natural numbers is naturally generalized to provide a simple and sound construction of the continuum with order and addition properties, and where a real number is an infinite set of natural numbers. A basic outline of analysis is proposed with a fast derivative algorithm. Under this representation, a countable sequence of real numbers is represented by a single real number. Furthermore, an infinite $\infty\times\infty$ real-valued matrix is represented with a single real number. A real function is represented by a set of real numbers, and a countable sequence of real functions is also represented by a set of real numbers. In general, mathematical objects can be represented using the smallest possible data type and these representations are calculable. In the last section, mathematical objects of all types are well assigned to tree structures in a proposed type hierarchy.