The two-component compound formed by codeine and cyclopentobarbital was produced by grinding techniques and by evaporation from alcoholic solutions. The cocrystal nature of this phase was established unequivocally by single crystal X-ray structure determination. The asym-metric unit contains one formula unit. In the cyclopentobarbital molecule, the cyclopentenyl ring is disordered over two positions related by a rotation of approximately 180° about its C‒C bond to the pyrimidine ring. The two NH groups of the cyclopentobarbital molecule form N—H···N and N—H···O bonds to piperidine and hydroxyl groups, respectively, belonging to different codeine molecules. In addition, the hydroxyl and methoxy groups of neighboring codeine molecules are linked by O—H···O interactions, resulting H-bonded framework structure of codeine and cyclo-pentobarbital molecules. The cocrystal was also characterized by thermal analysis, X-ray powder diffraction and IR spectroscopy.

The protozoan parasite Plasmodium falciparum is the causative pathogen of the most severe form of malaria, for which novel strategies for treatment are urgently required. The primary energy supply for intraerythrocytic stages of Plasmodium is the production of ATP via glycolysis. Due to the parasite’s strong dependence on this pathway and significant structural differences of its glycolytic enzymes compared to their human counterpart, glycolysis is considered as a potential drug target. In this study, we provide the first three-dimensional protein structure of P. falciparum hexokinase (PfHK), containing novel information about the mechanisms of PfHK. We identified for the first time a Plasmodium-specific insertion which lines the active site. Moreover, we propose that this insertion plays a role upon ATP binding. Residues of the insertion further seem to affect the tetrameric interface and therefore suggest a special way of communication among the different monomers. In addition, we confirmed that PfHK is targeted and affected by oxidative posttranslational modifications (oxPTMs). Both Sglutathionylation and Snitrosation revealed an inhibitory effect on the enzymatic activity of PfHK.

Three octahedral iron(III) nitrate complexes with dimethylated urea ligand isomers, [hexakis(N,N’-dimethylurea-O)iron(III)] nitrate (compound 1), trans-[diaquatetrakis(N,N-dimethylurea-O)iron(III)] nitrate (compound 2) and [hexakis(N,N-dimethylurea-O)iron(III)] nitrate trihydrate (compound 3) were prepared and characterized with single crystal X-ray diffraction, IR, Raman and UV-VIS methods. In compounds 1 and 3, six dimethylurea ligands coordinate to the central FeIII ion via the oxygen in octahedral geometry and the ligands are arranged in a propeller-like manner, dividing the complex cations into two sides. In compound 1, the dimethylurea propellers screw in the opposite direction on the two sides of the complex and in compound 3, they are arranged with the same handedness on the two sides. The complexes have helical chirality. The two sides of the complex cations differ not only in the rotation direction of the ligands but also in the hydrogen bond formation. On one side of the complex cation, the ligands form intermolecular hydrogen bonds only with the crystal waters, meanwhile on the other side of the complex, the ligands form hydrogen bonds only with the nitrate ions. In compound 2, [Fe(N,N-dimethylurea)4(H2O)2]3+ cations form layers that are separated by interconnected NO3- ions forming a hydrogen bonding system and connecting the complex cations A-s and B-s. The three crystallographically different nitrate ions each form four hydrogen bonds in a way that they have one bidentate O atom and two monodentate O atoms, however, the anions differ in their hydrogen bonding. The spectroscopic characteristics of compound 2 were determined by IR measurements on the deuterated compound 2 as well.

Glutamate dehydrogenase (GDH) interconverts glutamate to a-ketoglutarate and ammonia, interconnecting amino acid and carbohydrate metabolism. In humans, two functional GDH genes, GLUD1 and GLUD2, encode for hGDH1 and hGDH2, respectively. GLUD2 evolved from retro-transponsition of the GLUD1 gene in the common ancestor of modern apes. These two isoenzymes are involved in the pathophysiology of neoplastic, neurodegenerative, and metabolic disorders. The 3D structures of hGDH1 and hGDH2 have been experimentally determined; however, no information is available about the path of GDH2 structure changes during primate evolution. Here, we compare the structures predicted by the AlphaFold Colab method for the GDH2 enzyme of modern apes and their extinct primate ancestors. Also, we analyze the individual effect of amino acid substitutions emerging during primate evolution. Our most important finding is that the predicted structure of GDH2 in the common ancestor of apes was the steppingstone for the structural evolution of primate GDH2s. Two changes with a strong functional impact occurring at the first evolutionary step, Arg443Ser and Gly456Ala, had a destabilizing and stabilizing effect, respectively, making this step the most important one. Subsequently, GDH2 underwent additional modifications that fine-tuned its enzymatic properties to adapt to the functional needs of modern-day primate tissues.

Recently, resistive random access memory (RRAM) has been an outstanding candidate among various emerging nonvolatile memories for high density storage and in-memory computing applications. However, the traditional RRAM, which accommodates two states depending on applied voltage, cannot meet the high density requirement in the era of big data. Many research groups have demonstrated that RRAM possesses the possibility of multi-level cell to overcome the demand of mass storage. Among numerous semiconductor materials, gallium oxide, as the fourth-generation semiconductor material, is highly-profile due to its excellent material proper-ties, and already be widely used in optoelectronics, high-power, resistive switching device and so on, due to its wide bandgap and transparent properties. In this study, we have successfully demonstrated the Al/GO/Ga2O3/ITO RRAM to achieve the possibility of two-bit storage. Compared to the single-layer counterpart, the bilayer structure has excellent electrical properties and stable reliability. The endurance characteristics could be enhanced above 100 switching cycles with an ON/OFF ratio of over 103. Moreover, the filament models are also described in this thesis to clarify the transport mechanisms.

This article presents a wide-band antenna designed for the Cube Satellite (CubeSat). Based on a quadrifilar structure, the antenna provides circular polarization radiation, which is suitable for satellite communication. Moreover, the antenna is designed and fabricated using two 1.6 mm thickness FR4-Epoxy boards that connect together by the metal pins. In order to improve the robustness, a ceramic spacer is placed in the centerboard, and four screws at the corners are added to fix the antenna with the CubeSat structure. These additional parts reduce antenna damage caused by vibrations in the launch vehicle lift-off stage. The proposal has a dimension of 77mm x 77mm x 10mm and covers the LoRa frequency bands of 868 MHz, 915 MHz, and 923 MHz. According to the measurements in an anechoic chamber, antenna gains are obtained with the values of 2.3 dBiC and 1.1 dBiC for the 870 MHz and 920 MHz, respectively. Finally, the antenna is integrated into a 3U CubeSat that was launched by a Soyuz launch vehicle. The terrestrial-to-space communication link was measured, and the antenna performance was confirmed in the real-life scenario.

Prosthetics have come a long way since their inception, and recent advancements in materials science have enabled the development of prosthetic devices with improved functionality and comfort. One promising area of research is the use of auxetic metamaterials in prosthetics. Auxetic materials have a negative Poisson's ratio, which means that they expand laterally when stretched, unlike conventional materials, which contract laterally. This unique property allows for the creation of prosthetic devices that can better conform to the contours of the human body and provide a more natural feel. In this review article, we provide an overview of the current state of the art in the development of prosthetics using auxetic metamaterials. We discuss the mechanical properties of these materials, including their negative Poisson's ratio and other properties that make them suitable for use in prosthetic devices. We also explore the limitations that currently exist in implementing these materials in prosthetic devices, including challenges in manufacturing and cost. Despite these challenges, the future prospects for the development of prosthetic devices using auxetic metamaterials are promising. Continued research and development in this field could lead to the creation of more comfortable, functional, and natural-feeling prosthetic devices. Overall, the use of auxetic metamaterials in prosthetics represents a promising area of research with the potential to improve the lives of millions of people around the world who rely on prosthetic devices.

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

Arrestin-1, or visual arrestin, exhibits an exquisite selectivity for light-activated phosphorylated rhodopsin (P-Rh*) over its other functional forms. That selectivity is believed to be mediated by two well-established structural elements in the arrestin-1 molecule, the activation sensor detecting the active conformation of rhodopsin and the phosphorylation sensor responsive to the rhodopsin phosphorylation, which only active phosphorylated rhodopsin can engage simultaneously. However, in the crystal structure of the arrestin-1-rhodopsin complex there are arrestin-1 residues located close to rhodopsin, which do not belong to either sensor. Here we tested by site-directed mutagenesis the functional role of these residues in wild type arrestin-1 using direct binding assay to P-Rh* and light-activated unphosphorylated rhodopsin (Rh*). We found that many mutations either enhanced the binding only to Rh* or increased the binding to Rh* much more than to P-Rh*. The data suggest that the native residues in these positions act as binding suppressors, specifically inhibiting the arrestin-1 binding to Rh* and thereby increasing arrestin-1 selectivity for P-Rh*. This calls for the modification of a widely accepted model of the arrestin-receptor interactions.

We used the Taylor-Ulitovsky Technique to prepare nanocrystalline Co2MnGe Heusler alloy glass-coated microwires with a metallic nucleus diameter of 18 ± 0.1 µm and a total diameter of 27.2 ± 0.1 µm. Magnetic and structural studies were carried out to determine the fundamental magneto-structural characteristics of Co2MnGe glass-coated microwires. XRD revealed a well-defined nanocrystalline structure with average grain size about 63 nm, lattice parameter a = 5.62 and a unique mixture of L21 and B2 phases. The magnetization curves for field cooling and field heating (FC-FH) demonstrate a considerable dependence on the applied magnetic field, ranging from 50 Oe to 20 kOe. Internal stresses, originated by the production process, resulted in various magnetic phases, which were responsible for the notable difference of field cooling (FC) and field heating (FH) curves on magnetization dependence versus temperature. Furthermore, the ferromagnetic behavior and expected high Curie temperature together with high degree of L21 ordered makes it a promising candidate for many applications.

NASA/ESA/CSA joint venture James Webb Space Telescope is about to be launched. It is hypothesized to operate in near-infrared range. It is also hypothesized to unveil early star formation, galaxies, and universe due to its orbit, point in orbit and orbital motion. It has been under manufacturing for over 20 years at a staggering cost of 10 billion US dollars (most expensive scientific experiment in history). Beryllium (Be) is chosen to be element for construction of its main mirrors due to its high stiffness, low density, low linear coefficient of thermal expansion (α) in cryogenics and high thermal conductivity. It is followed by gold (Au) layer deposition on its (Be) surface to enhance its sensitivity towards infrared radiation as later is hypothesized to bear superior properties. However, serious mistakes have been made in selecting this material for this application. Owing to its crystal structure (hexagonal close packed (hcp)), slip planes (basal, prismatic and pyramidal) and mechanisms of their activation, Be necessitates easy fracture at cryogenic temperature. It has anisotropic properties and prone to transverse fracture under tensile loading. Furthermore, its ductile to brittle transition temperature is very low making it entirely unsuitable for such an application. It is one of most expensive metals on planet. This study constitutes revisiting these fundamental properties and mechanisms which were entirely ignored during materials selection thus rendering whole project useless.

The protein C is a small viral protein encoded in an overlapping frame of the P gene in the sub-family Orthoparamyxovirinae. This protein, expressed by alternative translation initiation, is a virulence factor that regulates viral transcription, replication and production of defective interfering RNA, interferes with the host-cell innate immunity systems and supports assembly of viral particles and budding. We expressed and purified full-length and an N-terminally truncated C protein from Tupaia paramyxovirus (TupV) C protein (genus Narmovirus). We solved the crystal structure of the C-terminal part of TupV C protein at a resolution of 2.4 Å and found that it is structurally similar to Sendai virus C protein, suggesting that despite undetectable sequence conservation, these proteins are homologous. We characterized both truncated and full-length proteins by SEC-MALLS and SEC-SAXS and described their solution structures by ensemble models. We established a minireplicon assay for the related Nipah virus (NiV) and showed that TupV C inhibited the expression of NiV minigenome in a concentration-dependent manner as efficiently as NiV C protein. A previous study found that the Orthoparamyxovirinae C proteins former two clusters without detectable sequence similarity, raising the question of whether they were homologous or instead had originated independently. Since TupV C and SeV C are representative of these two clusters, our discovery that they have a similar structure indi-cates that all Orthoparamyxovirine C proteins are homologous. Our results also imply that, strik-ingly, a STAT1-binding site is encoded by exactly the same RNA region of the P/C gene across Paramyxovirinae, but in different reading frames (P or C) depending on which cluster they belong to.

Environmental physical and chemical factors controlling the abundance and biodiversity of zooplankton in permafrost-affected lakes are poorly known yet they determine the response of the ecosystems to on-going climate change and water warming. Here we assessed the current status of zooplankton communities of lake ecosystems in the North-West of the Bolshezemelskaya tundra (Nenets Autonomous district), and provide new information about the composition and structure of zooplankton. Results demonstrate that the structure of zooplankton communities is influenced by morphometric features of lakes and the degree of their overgrowth by macrophytes. According to the level of zooplankton development, most tundra lakes were of the oligotrophic type with an average biomass of up to 1 g/m3. The largest number of species was observed in zooplankton communities of small lakes with an area of up to 0.02 km2 and overgrown with macrophytes. The analysis of factors that influence the formation of the lakes zoocenosis demonstrated that the species composition and quantitative characteristics of zooplankton are chiefly controlled by pH and water mineralization. A comparison of the results obtained with the literature data on the lakes of this region collected 60 years ago confirms that the ecosystems of the studied lakes are in a stable state. Overall, these new insights will improve our knowledge of factors controlling the zooplankton spatial dynamics in unique but quite abundant thermokarst lakes of NE European Tundra, subjected to on-going climate warming.

Relativistic atomic and molecular structure calculations start from very different premises to quantum electrodynamics (QED). QED predicts radiative corrections that can nly be approximated crudely in today's atomic structure programs. This paper describes rigorous simple algorithms for including accurate vacuum polarization and self-energy corrections in the GRASP programs.

Nucleosome positioning plays an important role in crucial biological processes like replication, transcription, and gene regulation. It has been widely used to predict the genome’s function and chromatin organisation. So far, the studies of patterns in nucleosome positioning have been limited to transcription start sites, CTCFs binding sites, and some promoter and loci regions. The genome-wide organisational pattern remains unknown. We have developed a theoretical model to coarse-grain nucleosome positioning data in order to obtain patterns in their distribution. Using hierarchical clustering on the auto-correlation function of this coarse-grained nucleosome positioning data, a genome-wide clustering is obtained for Candida albicans. The clustering shows the existence beyond hetero- and eu-chromatin inside the chromosomes.

Core-shell structured magnetic nanoparticles combine hard and a soft phases to improve energy efficiency. The mutual interaction of the two phases can lead to the exchange spring effect leading to higher magnetic energy. In this regard, synthesis of Nd2Fe14B based core-shell structured powders have proven to be elusive due to the relatively reactive nature of this phase. In this study, a process has been established for successfully coating the surface of Nd2Fe14B powders with FeCo layer using galvanic displacement method. Initially, a binary phase magnetic powder was synthesized containing Nd2Fe14B and Nd2Fe17 phase. Subsequently, the powders were coated using a Co precursor at 303 K. During coating the metastable Nd2Fe17 phase was dissolved and the Fe ions were released into the solution. Subsequently, the Fe ions deposited together with the Co ions on the surface of Nd2Fe14B powder to form a FeCo shell. The deposited layer thickness and composition was confirmed using TEM analysis.

As Christopher Alexander discovered, all space or matter – either organic or inorganic – has some degree of order in it according to its structure and arrangement. The order refers to a kind of structural character, called living structure, which is defined as a mathematical structure that consists of numerous substructures with an inherent hierarchy. Across the hierarchy, there are far more small substructures than large ones, while on each level of the hierarchy the substructures are more or less similar in size. In this paper we develop a new approach to representing geographic space as a hierarchy of recursively defined subspaces for computing the degree of order. A geographic space is first represented as a hierarchy of recursively defined subspaces, and all the subspaces are then topologically represented as a network for computing the degree of order of the geographic space, as well as that of its subspaces. Unlike conventional geographic representations, which are mechanical in nature, this new geographic representation is organic, conceived, and developed under the third view of space; that is, space is neither lifeless nor neutral, but a living structure capable of being more living or less living. Thus, the order can also be referred to as life, beauty, coherence, or harmony. We applied the new representation to three urban environments, 253 patterns, and 35 black-white strips to verify it and to demonstrate advantages of the new approach and the new kind of order. We further discuss the implications of the approach and the order on geographic information science and sustainable urban planning.

The level of ambiguity in describing glycan structure has significantly increased with the upsurge of large scale glycomics and glycoproteomics experiments. Consequently, an ontology-based model appears as an appropriate solution for navigating this data. However, navigation is not sufficient and the model should also enable advanced search and comparison. A new ontology with a tree logical structure is introduced to represent glycan structures irrespective of the precision of molecular details. The model heavily relies on the GlycoCT encoding of glycan structures. Its implementation in the GlySTreeM knowledge base was validated with GlyConnect data and benchmarked with the Glycowork library. GlySTreeM is shown to be fast, consistent, reliable and more flexible than existing solutions for matching parts of or whole glycan structures. The model is also well suited to painless future expansion. Availability:https://glyconnect.expasy.org/glystreem/wiki

Sociality in animal populations is a continuum, and interactions between conspecifics are meaningful for all vertebrates. Ignorance of social structures can lead to misunderstanding their ecology and, consequently, to unsuccessful species management. Here, we combined genetic and spatial data on radio-collated brown bears (Ursus arctos) to investigate kin-related home range overlap and kin-related centroid distance within central and eastern Finland. We found that the extent of overlap of home ranges was positively linked with relatedness among adult females. A similar positive correlation could be detected between home range centroid distance and relatedness among adult females. Moreover, there were significant differences between the two studied regions: female brown bears in central Finland were more closely related to each other, and the sizes of their home ranges were larger than those in eastern Finland. The smaller home ranges and lower degree of relatedness among bears in eastern Finland might be a result of the substantially higher hunting pressure in the area, combined with immigration of new unrelated individuals from Russia.

Capirona (Calycophyllum spruceanum Benth) is a tree species of commercial importance widely distributed in South American forests and is traditionally used for its medicinal properties and wood quality. Studies on this tree species have been focused mainly on wood properties, propagation and growth. Genetic studies on capirona are very limited to date. Today it is possible to explore genetic diversity and population structure in a fast and reliable manner by using molecular markers. We here used 10 Random Amplified Polymorphic DNAs (RAPDs) markers to analyze genetic diversity and population structure of 59 samples of capirona that were sampled from four provinces located in the eastern region of the Peruvian amazon. A total of 186 bands were manually scored, generating a 59 x 186 presence/absence matrix. We used R software to calculate genetic distances based on provesti coefficient. A dendrogram was generated using the UPGMA clustering algorithm and showed four groups that correspond to the geographic origin of the capirona samples. Similarly, a discriminant analysis of principal components (DAPC) confirmed that capirona is grouped into four clusters. However, we also noticed few accessions are intermingled. Genetic diversity estimation was conducted considering the four groups (populations) identified by adegenet package in R. Nei's genetic diversity estimate varied from 0.26 to 0.39 and Shannon index ranged from 2.48 to 2.83. AMOVA analysis revealed the greatest variation exist within populations (69.7%) and indicated that variability among populations is 31.5%. To our best knowledge, this is the first investigation employing molecular markers in capirona in Peru considering their natural distribution, and sheds light towards its modern genetic improvement and for the sustainable management of forests in Peru.

Understanding the relationships between land cover/urban structure patterns and air pollutants is key to sustainable urban planning and development. In this study, we employ a mobile monitoring method to collect PM_2.5 and BC data in the city of Philadelphia, PA during the summer of 2019 and apply the Structure of Urban Landscapes (STURLA) methodology to examine relationships between urban structure and atmospheric pollution. We find that, while PM_2.5 and BC vary by STURLA class, many of the differences in pollutant concentrations between classes are not significant. However, we also find that the proportions in which STURLA components are present throughout the urban landscape can be used to predict urban air pollution. Among frequently sampled STURLA classes, gpl hosted the highest PM_2.5 concentrations on average (16.60 _± 4.29 µg/m³), while tgbwp hosted the highest BC concentrations (2.31 _± 1.94 µg/m³). Furthermore, STURLA combined with machine learning modeling was able to correlate PM_2.5 (R²= 0.68, RMSE 2.82 µg/m³) and BC (R² = 0.64, RMSE 0.75 µg/m³) concentrations with the urban landscape and spatially interpolate concentrations where sampling did not take place. These results demonstrate the efficacy of the STURLA methodology in modeling relationships between air pollution and land cover/urban structure patterns.

The carbon-carbon cross-coupling of phenyl s-tetrazine (Tz) units at their ortho-phenyl positions allows to form constrained bis(tetrazines) with original tweezer structures. In these compounds, the face-to-face positioning of the central tetrazine cores is endorsed by pi-staking of the electron-poor nitrogen-containing heteroaromatic moieties. The resulting tetra-aromatic structure can be used as a weak coordinating ligand with cationic silver. This coordination generates a set of bis(tetrazine)‐silver(I) coordination complexes tolerating a large variety of counter anions of various geometries, namely, PF6–, BF4–, SbF6–, ClO4–, NTf2–, OTf2–. These compounds were characterized in the solid-state by single crystal XRD and reflectance spectra, and in solution by 1H NMR, mass spectrometry, electroanalysis and UV-visible absorption spectroscopy. The X-ray diffraction (XRD) structure of complexes {[Ag(3)][PF6]}∞ (4) and {[Ag(3)][SbF6]∞ (6), where 3 is 3,3'-[(1,1'-biphenyl)-2,2'-diyl]-6,6'-bis[phenyl]-1,2,4,5-tetrazine, revealed the formation of 1D polymeric chains, characterized by an evolution to a large opening of the original tweezer and a coordination of silver(I) via two chelating nitrogen atom and some C=C pi-interactions. Electrochemical and UV spectroscopic properties of the original tweezer and of the corresponding silver complex are reported and compared. 1H NMR titrations with AgNTf2 allowed to determine the stoichiometry, and apparent stability of two solution species, namely [Ag(3)]+ and [Ag(3)2]2+, that formed in CDCl3/CD3OD 2:1 v/v mixtures.

The center vortex model of quantum-chromodynamics can explain confinement and chiral symmetry breaking. We present a possible resolution for problems of the vortex detection in smooth configurations and discuss improvements for the detection of center vortices.

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

The purpose of this research has been to analyze the organizational structures of the different federations and entities representing the modalities of trail-running, skyrunning and mountain running and how they have settled in the current sports landscape. The main task of these entities is to act as hosts of the legally established modalities, both internationally and nationally, applying their respective regulations and statutes unilaterally. Through an in-depth review of the different regulations, statutes and current articles of all the organizations that represent the different disciplines, we can observe how a sport modality that seems to be the same is nevertheless distant in its execution (regulations, championships, classifications, systems of points, ...) and that has led to the international level being established in different sport modalities (trail-running and skyrunning) and at the level of the Spanish territory, it has led to an administrative dispute to know who has the powers to approve the sports competitions.

Ras is the most frequently mutated oncogene and recent drug development efforts have spurred significant new research interest. Here we will review progress toward understanding how Ras functions in nanoscale, proteo-lipid signaling complexes on the plasma membrane, called nanocluster. We will discuss how G-domain reorientation is plausibly linked to Ras-nanoclustering and -dimerization. We will then look at how these mechanistic features could cooperate in the engagement and activation of RAF by Ras. Moreover, we will show how this structural information can be integrated with microscopy data that provide nanoscale resolution in cell biological experiments. Synthesizing the available data, we propose to distinguish between two types of Ras nanoclusters, an active, immobile RAF-dependent type and an inactive/ neutral membrane anchor-dependent. We conclude that it is possible that Ras reorientation enables dynamic Ras dimerization, while the whole Ras/ RAF complex transits into an active state. These transient di/oligomer interfaces of Ras may be amenable to pharmacological intervention. We close by highlighting a number of open questions including, whether all effectors form active nanoclusters and whether there is an isoform specific composition of Ras nanocluster.

The Flack Parameter is now almost universally reported for all chiral materials characterized by X-ray crystallography. It’s elegantly simplicity was an inspired development by Flack, and although the original algorithm for its computation has been strengthened by other workers, it remains an essential outcome for any crystallographic structure determination. As with any one-parameter metric, it needs to be interpreted in the context of its standard uncertainty.

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

The maturity of tomato fruit is normally characterized by external color and it is often difficult to know when fruit have achieved commercial maturity or become over-mature. The internal structure of tomato fruit change during development and this study investigates the utility of nondestructive measurement of tomato fruit structure as a function of maturity using magnetic resonance imaging (MRI). The objective of this work is to use analysis of internal tomato fruit structural measurements to characterize maturity. Intact cherry tomato fruit were harvested at six different maturity stages. At each stage of maturity, the internal structure of the fruit was measured using a series of 2D magnetic resonance (MR) images. Qualitative and quantitative image analyses were performed to correlate internal fruit structure with maturity. Internal structural changes observed in the pericarp region of the tomato fruit are highly correlated with fruit maturity. MR image information combined with classical analysis techniques provides a more complete understanding of structure and physicochemical changes in tomato fruit during maturation. This study demonstrates that MRI is a useful analytical tool to characterize internal changes in agricultural produce as the produce matures. This technique can be applied to almost any agricultural produce to monitor internal physical changes due to external impact, maturity stage, variation in climate, storage time and condition or other factor impacting quality.

Huge filaments with scales from several hundred megaparsecs to gigaparsecs are detected in the distribution of galaxies and clusters, quasars, gamma-bursters. The hypothesis on the nature of the huge filaments as regions of space-time deformation is proposed. An anisotropic deformation of the local region is described by the strain tensor, it depends on the velocities of matter. Galaxies get an extra velocity in the region, which leads to the formation of filamentary structures. The class of exact solution of the GR equations is constructed by introducing the special definition of the Christoffel symbols as function of the velocity of matter. With a definition of these symbols, the motion matter equation turns into identity. For the sake of simplicity, an ideal fluid is considered.

The past years saw the rise of genomic biobanks and mega-scale meta-analysis of genomic data that promise to reveal the genetic underpinnings of health and disease. However, the over-representation of Europeans in genomic studies not only limit the global understanding of disease risk and intervention efficacy, but also inhibit viable research into the genomic differences between carriers and patients. Whilst the community has agreed that more diverse samples are required, it is not enough to blindly increase diversity; the diversity must be quantified, compared, and annotated to lead to insight. Genetic annotations from separate biobanks need to be comparable, computable, operate without access to raw data due to privacy concerns. But they must be comparable, both for regular research and to allow international comparison in response to pandemics. Here, we evaluate the appropriateness of commonly used genomic tools used to depict population structure in a standardized and comparable manner. The end goal is to reduce the effects of confounding and learn from genuine variation in genetic effects on phenotypes across populations, which will improve the value of biobanks, locally and internationally, increase the accuracy of association analyses, and inform developmental efforts.

Structural diversity is a key feature of forest ecosystems that influences ecosystem functions from local to macroscales. The ability to measure structural diversity in forests with varying ecological composition and management history can improve the understanding of linkages between forest structure and ecosystem functioning. Terrestrial LiDAR has often been used to provide a detailed characterization of structural diversity at local scales, but it is largely unknown whether these same structural features are detectable using aerial LiDAR data that are available across larger spatial scales. We used univariate and multivariate analyses to quantify cross-compatibility of structural diversity metrics from terrestrial versus aerial LiDAR in seven National Ecological Observatory Network sites across the eastern USA. We found strong univariate agreement between terrestrial and aerial LiDAR metrics of canopy height, openness, internal heterogeneity, and leaf area, but found marginal agreement between metrics that describe heterogeneity of the outer most layer of the canopy. Terrestrial and aerial LiDAR both demonstrated the ability to distinguish forest sites from structural diversity metrics in multivariate space, but terrestrial LiDAR was able to resolve finer-scale detail within sites. Our findings indicate that aerial LiDAR can be of use in quantifying broad-scale variation in structural diversity across macroscales.

The natural vegetation study was conducted in Kafta-sheraro national park (KSNP) North, Ethiopia to explore floristic composition, structure and regeneration of woody species in the home of African elephant. In the park, the above information is not well documented which is necessary for conservation. Data were collected From August to December 2018. The vegetation data were collected from 161 quadrats of size 20m×20m, 5mx5m for shrub ̸ tree, sapling and seedling respectively. Individual trees and shrubs DBH >=2.5cm and height >=2m were measured using Tape meter and Clinometer respectively. DBH, frequency, density, basal area, and IVI were used for vegetation structure. A total of 70 woody species 46 (65.7%) trees, 18 (25.7%) shrubs and 6 (8.6%) tree ̸ shrub) were identified. The total basal area and density of 79.3 m2 ha-1, and 466 ±12.8 (S.E.) individuals ha-1 were calculated for 64 woody species. Fabaceae was the most dominant family occupied 16 species (23.0%) followed by Combretaceae 8 species (11.4%). Acacia mellifera and Combretum hartmannianum were the most dominant and frequent species. Abnormal patterns of selected woody species were dominantly identified. Regenerating status all the woody plant species was categorized as “Fair” (18.75%), “Poor” (7.81 %) and “None” (73.44%). However, there is good initiation for conservation of the park; still the vegetation of the park was threatened by firewood collection, charcoal production, fire, intensive farming, mining and over grazing. Therefore, the study area as the habitat for the population of the African elephant; the KSNP should be recommended the highest conservation priority and studied the soil seed bank of species having poor regeneration condition.

Natural products have been used for the treatment of human diseases since ancient history. Over time, due to the lack of precise tools and techniques for the separation, purification, and structural elucidation of active constituents in natural resources there has been a decline in financial support and efforts in characterization of natural products. Advances in the design of chemical compounds and the understanding of their functions is of pharmacological importance for the biomedical field. However, natural products regained attention as sources of novel drug candidates upon recent developments and progress in technology. Natural compounds were shown to bear an inherent ability to bind to biomacromolecules and cover an unparalleled chemical space in comparison to most libraries used for high-throughput screening. Thus, natural products hold a great potential for the drug discovery of new scaffolds for therapeutic targets such as Sirtuins. Sirtuins are Class III histone deacetylases that have been linked to many diseases such as Parkinson`s disease, Alzheimer’s disease, type II diabetes, and cancer linked to aging. In this review, we examine the revitalization of interest in natural products for drug discovery and discuss natural product modulators of Sirtuins that could serve as a starting point for the development of isoform selective and highly potent drug-like compounds.

Background: Wheat root rot disease due to soil-borne fungal pathogens leads to tremendous yield losses worth billions of dollars worldwide every year. It is very important to study the relationship between rhizosphere fungal diversity and wheat roots to understand the occurrence and development of wheat root rot disease. Results: A significant difference in fungal diversity was observed between the diseased and healthy groups in the heading stage, but the trend was the opposite in the filling stage. The abundance of most genera with high richness decreased significantly from the heading to the filling stage in the diseased groups; the richness of approximately one-third of all genera remained unchanged, and only a few low-richness genera, such as Fusarium and Ceratobasidium, had a very significant increase from the heading to the filling stage. In the healthy groups, the abundance of most genera increased significantly from the heading to the filling stage; the abundance of some genera did not change markedly, or the abundance of very few genera increased significantly. Physical and chemical soil indicators showed that low soil pH and density, increases in ammonium nitrogen, nitrate nitrogen and total nitrogen contributed to the occurrence of wheat root rot disease. Conclusions: Our results revealed that in the early stages of disease, highly diverse rhizosphere fungi and a complex community structure can easily cause wheat root rot disease. The existence of pathogenic fungi is a necessary condition for wheat root rot disease, but the richness of pathogenic fungi is not necessarily important. The increases in ammonium nitrogen, nitrate nitrogen and total nitrogen contributed to the occurrence of wheat root rot disease. Low soil pH and soil density are beneficial to the occurrence of wheat root rot disease.

The study of vegetation community and structural change has been central to ecology for over a century, yet how disturbances reshape the physical structure of forest canopies remains relatively unknown. Moderate severity disturbance including fire, ice storms, insect and pathogen outbreaks, affects different canopy strata and plant species, which may give rise to variable structural outcomes and ecological consequences. Terrestrial lidar (light detection and ranging) offers an unprecedented view of the interior arrangement and distribution of canopy elements, permitting the derivation of multidimensional measures of canopy structure that describe several canopy structural traits with known linkages to ecosystem functioning. We used lidar-derived canopy structural measured within a machine learning framework to detect and differentiate among various disturbance agents, including moderate severity fire, ice storm damage, age-related senescence, hemlock woolly adelgid, beech bark disease, and chronic acidification. We found that disturbance agents such as fire and ice storms primarily affected the amount and position of vegetation within canopies, while acidification, pathogen and insect infestation, and senescence altered canopy arrangement and complexity. Only two of the six disturbance agents significantly reduced leaf area, indicating that this commonly quantified canopy feature is insufficient to characterize many moderate severity disturbances. Rather, measures of canopy structure, including those that describe multidimensional change, are needed to characterize disturbance at moderate severities because structural changes from these events are spatially and quantitatively variable. Our findings suggest that standard disturbance detection methods, such as optical based remote sensing platforms, may currently be limited in their ability to detect, differentiate, and characterize disturbance. Further, we conclude that a more broadly inclusive definition of ecological disturbance that incorporates multiple aspects of canopy structure change will improve the modeling, detection, and prediction of functional implications of moderate severity disturbance.

Synthetic polymer-based gradient foams have considered as promising category of functionally graded materials with unique properties. In this study, the carbon dioxide (CO₂) foaming technology has used for PET-PEN (Polyethylene Terephthalate - Polyethylene Naphthalate) copolymer towards porous functional materials with thermal insulation with reasonable mechanical strength. Through scanning electron microscope based morphological characterization, a potential to fabricate gradient foam structures with micro-pores has identified. It has shown that variation of post-foaming temperature can tune the pore size distribution although the very high post-foaming temperature tends to cause structural instability. Thermal measurement data set the limits of operation, confirmed by simultaneous differential scanning calorimeter and thermo-gravimetric analysis. Mechanical stress and thermal conductivity also has measured to find rationale of thermal insulation with reasonable mechanical strength and to elucidate the actual 3D grid foam of copolymer.

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

The problem of Yukawa couplings being arbitrary parameters in the Standard Model Higgs mechanism is a long standing one due to their formulaic dependence on the Higgs Vacuum Expectation Value. We will attempt to solve this problem and provide a strong argument that the Yukawa couplings of charged leptons and down type quarks are not arbitrary parameters in the SM. A new methodology for predicting the Yukawa couplings will be presented by using Compton wavelengths, the Rydberg Constant and g-factors of charged leptons instead of relying on the Higgs VEV. We will then proceed to rewrite this new method in terms of an empirical formula that depends on the running of the fine-structure constant on the Q scale, charge and lepton quantum numbers and g-factors to predict the values of the Yukawa couplings for all three generations of charged leptons and d-type quarks. We will also touch on the subject of neutrinos both as Majorana and Dirac fermions respectively and make a prediction for the lightest possible Majorana neutrino and the differences between Dirac neutrinos and anti-neutrinos. We conclude that the Yukawa couplings are not arbitrary parameters in the SM and that this new formula provides very accurate results.

We studied the effect of the structure parameters of engine annular cooling fan with outer ring on the aerodynamic performance by means of experiments and model simulation in fluent^®. Firstly, based on the experiment, a computational model is developed to calculate and analyze the aerodynamic performance of the tested annular fan. The model is validated by comparing the test results with the calculated data. Besides, the aerodynamic performance differences between two types of fans (common fan without outer ring and annular fan with outer ring) are discussed. Based on the computational model, the relation between aerodynamic performance and the outer ring structure parameters are investigated. The results show that the relative parameter on the axial direction has great influence on the aerodynamic performance; while the effect of radial relative parameter is minor. In addition, the outer ring with arc chamfer structure in the downstream side can improve its static pressure efficiency effectively.

In this study, literature on pore structure and chloride ion diffusivity was collected to investigate the correlation of pore structure indicators with diffusivity. Good correlation between total porosity and chloride ion diffusivity was found when the samples did not contain admixture materials and diffusion test was conducted without acceleration. Pore diameter indicators did not correlate with diffusivity. The diffusivity of cement paste was reduced by admixture materials compared to that without admixture materials even if the total porosity is the same. On the other hand, the diffusivity of concrete was not reduced by admixture materials.

The paper aims to investigate on the determinants of the capital structure of the Italian SMEs and it is based on a large panel of Italian manufacturing SMEs observed in the years 2001-2013. The analysis achieves a comparative investigation between the capital structure of the firms belonging in the Southern region, the so-called Italian Mezzogiorno that is the slow growing area of the country, and the firms of the Center-northern region of Italy, that is the more developed area of the country. Fixed effect panel techniques applied to the several standard leverage models allows to reaffirm some distinctive features showing differences of the financial behavior of regional firms.

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

In this paper, an icosahedral non – body centered model to simulate the periodic structure of homogeneous particulate composites, by predicting the particle arrangement, is presented. This model has yielded three different variations which correspond at three different deterministic particle configurations. In addition, the concept of boundary interphase between matrix and inclusions was taken into account. Thus, the influence of particle vicinity was examined in parallel with the interphase concept on the thermomechanical properties of the overall material. Next, by the use of this model the authors derived a closed – form expression to estimate the thermal conductivity of this type of composites. To test the validity of the model, the theoretical values arising from the proposed formula were compared with other theoretical predictions obtained from several accurate formulae found in the literature and an adequate accordance was observed.

Tsygankoite, ideally Mn8Tl8Hg2(Sb21Pb2Tl)Σ24S48, is a new sulfosalt discovered at the Vorontsovskoe gold deposit, Northern Urals, Russia. It occurs as lath-like elongated crystals up to 0.2 mm embedded in calcite-dolomite-clinochlore matrix. The associating minerals also include aktashite, alabandite, arsenopyrite, barite, cinnabar, fluorapatite, orpiment, pyrite, realgar, routhierite, sphalerite, tilasite, titanite, etc. The new mineral is non-fluorescent, black, opaque with a metallic lustre and black streak. It is brittle with an uneven fracture and no obvious parting and cleavage. Its Vickers hardness (VHN10) is 144 kg/mm2 (range 131–167) and its calculated density is 5.450 g cm-3. In reflected light tsygankoite is white; between crossed polars it is dark-grey to black. It is strongly anisotropic: rotation tints vary from light-grey to dark-grey to black. Pleochroism and internal reflections are not observed. The chemical composition of tsygankoite (wt.%, electron-microprobe data) is: Mn 6.29, Fe 0.02, Cu 0.02, Ag 0.01, Hg 5.42, Tl 26.05, Pb 5.84, As 3.39, Sb 30.89, S 21.87, Se 0.01, total 99.81. The empirical formula, calculated on the basis of 90 atoms pfu, is: Mn8.06Tl8.00(Hg1.90Fe0.03Cu0.02Ag0.01)Σ1.96(Sb17.85As3.18Pb1.98Tl0.97)Σ23.98(S48.00Se0.01)Σ48.01. Tsygankoite is monoclinic, space group C2/m, a = 21.362(4) Å, b = 3.8579(10) Å, c = 27.135(4) Å, β= 106.944(14)°, V = 2139.19(17) Å3 and Z = 1. The five strongest diffraction peaks from X-ray powder pattern [listed as (d,Å(I)(hkl)] are: 3.587(100)(112), 3.353(70)(-114), 3.204(88)(405), 2.841(72)(-513) and 2.786(99)(-514). The crystal structure of tsygankoite was refined from single-crystal X-ray diffraction data to R = 0.0607 and consists of an alternation of two thick layer-like arrays, one based on PbS-archetype and second – on SnS-archetype. Tsygankoite has been approved by the IMA-CNMNC under the number 2017-088. It is named for Mikhail V. Tsyganko, mineral collector from Northern Urals, who collected the samples where the new mineral was discovered.

A class $\mathfrak{M}$ $$ of coarse spaces is called a variety if $\mathfrak{M}$ $$ is closed under formation of subspaces, coarse images and products. We classify the varieties of coarse spaces and, in particular, show that if a variety $\mathfrak{M}$ $$ contains an unbounded metric space then $\mathfrak{M}$ is the variety of all coarse spaces.

A class $\mathfrak{M}$ $$ of coarse spaces is called a variety if $\mathfrak{M}$ $$ is closed under formation of subspaces, coarse images and products. We classify the varieties of coarse spaces and, in particular, show that if a variety $\mathfrak{M}$ $$ contains an unbounded metric space then $\mathfrak{M}$ is the variety of all coarse spaces.

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

Legionella pneumophila RpoS (LpRpoS) is an alternative sigma factor of RNA polymerase (RNAP) essential for virulence and stress resistance. To investigate the mechanism of RpoS in the intracellular pathogen L. pneumophila, we determined the high-resolution crystal structure of the LpRpoS (residues 95-194) containing a partial region 1.2 and region 2. The structure of LpRpoS (residues 95-194) reveals that the conserved residues are critical for promoter melting, DNA and core RNAP binding. The differences in regulatory factor binding site between Escherichia coli RpoS and LpRpoS suggest that LpRpoS may employ a distinct mechanism to recruit alternative regulatory factors controlling transcription initiation.

This theoretical article reviews the model describing processes in social systems based on the analysis of their resource base. Application of the system theory can help to explain why some systems are aimed at prevention of type I errors, while other seek to decrease quantity of type II errors. Such differences are manifested in investment of resources either into deep interaction or into wide coverage. Some examples of such strategies in economic, market and production systems are provided in the article. The article introduces some provisions of the system theory in the context of the resource flows. The main indicators that are considered in this article are the characteristics of the sources of the exchanging flows of resources. Their relative frequency and quality are investigated, on the basis of which the most effective strategy of the system is derived, as a mechanism for redistributing resources. The rigor of the system's strategy depends on the magnitude of the difference in characteristics. It is explained how exactly it influences the exchange processes, that in reality systems do not interact simultaneously, and one of the opposite resource flows is always delayed. It is shown how the system strategy depends on the risks linked with interactions. Also, there are grounds for the need to accumulate resources, including in the situation of their surplus. The model helps also explain shift of economic centers throughout history. Additionally, there is an analogy between systems strategies and the competitive strategies described by M. Porter, and outsourcing versus integration.

In this paper, a geometric body-centered model to simulate the periodic structure of unidirectional fibrous composites is presented. To this end, three prescribed configurations are introduced to predict in a deterministic manner the arrangement of internal and neighboring fibers inside the matrix. Thus, three different representative volume elements (RVEs) are established. Furthermore, the concept of the interphase has been taken into account, stating that each individual fiber is encircled by a thin layer of variable thermomechanical properties. Next, these three unit cells are transformed in a unified manner to a coaxial multilayer cylinder model. This advanced model includes the influence of fiber contiguity in parallel with the interphase concept on the thermomechanical properties of the overall material. Then, by the use of this model, the authors propose explicit expressions to evaluate the longitudinal and transverse thermal conductivity of this type of composite. The theoretical predictions were compared with experimental results, as well as with theoretical values yielded by some reliable formulae derived from other workers, and a reasonable agreement was found.

A novel series of thiazole based-1,3,4-thiadiazoles were designed and prepared via the reaction of the 2-(4-methyl-2-phenylthiazole-5-carbonyl)-N-phenylhydrazinecarbothioamide with the appropriate hydrazonoyl chlorides. The structures of the newly synthesized compounds were established based on spectroscopic evidences and their alternative syntheses. Thirteen new 1,3,4-thiadiazoles have been evaluated for their anticancer activity against liver carcinoma cell line (HepG2). Also, their structure activity relationship (SAR) was studied. The 1,3,4-thiadiazoles 12d, 12c, 6g,18b, 6c, and 6f(IC₅₀ = 0.82, 0.91, 1.06, 1.25, 1.29 and 1.88 µM, respectively) have promising antitumor activity against liver carcinoma cell line (HepG2).

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

Coastal cliffs erode in response to short- and long-term environmental changes but predicting these changes continues to be a challenge. In addition to a chronic lack of data on the cliff face, vegetation presence and growth can bias our erosion measurements and limit our ability to detect geomorphic erosion by obscuring the cliff face. This paper builds on past research segmenting vegetation in 3-band red, green, blue (RGB) imagery and presents two approaches to segmenting and filtering vegetation from the bare cliff face in dense point clouds constructed from RGB images and structure-from-motion (SfM) software. Vegetation indices were computed from previously published research and their utility in segmenting vegetation from bare cliff face were compared against machine learning (ML) models for point cloud segmentation. Results demonstrate that, while existing vegetation indices and ML models are both capable of segmenting vegetation and bare cliff face sediments, ML models can be more efficient and robust across different growing seasons. ML model accuracy quickly reached an asymptote with only two layers and RGB images only (i.e., no vegetation indices), suggesting that these more parsimonious models may be more robust to a range of environmental conditions than existing vegetation indices which vary substantially from one growing season to another with changes in vegetation phenology.

This paper explores the application of Random Matrix Theory (RMT) as a methodological enhancement for portfolio selection within financial markets. Traditional approaches to portfolio optimization often rely on historical estimates of correlation matrices, particularly susceptible to instability. To address this challenge, we combine a data preprocessing technique based on the Hilbert transformation of returns with RMT to refine the accuracy and robustness of correlation matrix estimation. By contrasting empirical correlations with those derived from random matrices, we uncover non-random properties and underlying relationships within financial data. We then utilize this methodology to construct the correlation network dependence structure used in portfolio optimization. The empirical analysis presented in this paper validates the effectiveness of RMT in enhancing portfolio diversification and risk management strategies. This research contributes by offering investors and portfolio managers with methodological insights to construct portfolios that are more stable, robust, and diversified. At the same time, it advances our comprehension of the intricate statistical principles underlying multivariate financial data.

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

A reliable and efficient rail track defect detection system is essential for maintaining rail track integrity and avoiding safety hazards and financial losses. Eddy current (EC) testing is a non-destructive technique that can be employed for this purpose. The trade-off between spatial resolution and lift-off should be carefully considered in practical applications to distinguish closely spaced cracks such as those caused by rolling contact fatigue (RCF). A multi-channel eddy current sensor array has been developed to detect defects on rails. Based on the sensor scanning data, defect reconstruction along the rails is achieved using an inverse algorithm that includes both direct and iterative approaches. In experimental evaluations, the EC system with the developed sensor is used to measure defects on a standard test piece of rail with a probe lift-off of 4-6 mm. The reconstruction results clearly reveal cracks at various depths and spacings on the test piece.

The study of rare diseases is important not only for the individuals affected but also for the advancement of medical knowledge and a deeper understanding of human biology and genetics. The wide repertoire of structural information now available from reliable and accurate prediction methods provides the opportunity to investigate the molecular origins of most of the rare diseases reviewed in the Orpha.net database. Thus, it has been possible to analyze the topology of the missense mutations found in the 2,535 proteins involved in Mendelian rare diseases (MRD), which form the database for our structural bioinformatics study. The amino acid substitutions responsible for MRD show different mutation site distributions at different three-dimensional protein depths. We then predicted the depth-dependent effects of mutations for the 20,248 pathogenic variants that are present in our database. The results of this structural bioinformatics investigation are relevant, as they provide additional clues to mitigate the damage caused by MRD.

: 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.

This paper delves into the application of digital twin monitoring techniques for enhancing offshore floating wind turbine performance, with a detailed case study. We explore the practical implementation of digital twins and their efficacy in optimizing operations and predictive maintenance. Our findings emphasize digital twins' potential as a valuable tool for renewable energy, driving efficiency and sustainability in offshore floating wind installations.

While the underwater submersible encounters internal solitary wave (ISW), its loadings and motions would be seriously disturbed. To investigate the interaction effect between the suspended submersible and ISW, a three dimensional ISW-submersible interaction numerical model was established based on the Computational Fluid Dynamics (CFD) method. The generation and propagation of ISW was simulated in a two-layer fluid numerical wave tank according to the eKdV theory. The standard operation equation of submersible was introduced to simulate the six degree of freedom (6DoF) motions of submersible combined with the overset dynamic mesh method. The motion simulation method of submersible was effectively validated by comparing with published experimental results on the motion responses of the slender body under the ISW. Based on the constructed numerical model, the dynamic mechanism between the suspended submersible and ISW were studied, and the effects of the initial submerged depths and the ISW amplitudes on the dynamic responses of the submersible were revealed. According to the numerical results, the motions of the submersible have been significantly determined by its initial submerged depths. The submersible located above the ISW interface has a significant motion along the propagation direction of ISW and its motion trajectory resembles a counterclockwise semi ellipse. The motions of the submersible located below the ISW interface follows with the trace of the lower layer fluid which presented as an unclosed clockwise ellipse. The corresponding motions of the submersible would be increased as the increase of the ISW amplitudes.

Bactrocera dorsalis Hendel is a highly invasive horticultural pest of major economic importance worldwide. In Burkina Faso, it is one of the main insect pests constraining the mango production and export. Understanding the biology and the genetic dynamics of this insect pest provide cru-cial information for the development of effective control measures. The aim of this study was to understand the distribution, diversity and genetic structure of B. dorsalis in Burkina Faso. Male flies were collected transversally in Burkina Faso and analyzed by PCR using 10 microsatellite markers. The results showed an abundance of B. dorsalis varying from 87 to 2986 flies per trap per day in the different sampling sites. Genetic diversity was high in all sites with an average Shan-non's Information Index (I) of 0.72 per site. Gene flow was high between study populations and ranged from 10.62 to 27.53 number of migrants. Bayesian admixture analysis showed no evi-dence of structure while Discriminant Analysis of Principal Components identified three weakly separated clusters in the population of B. dorsalis in Burkina Faso. The results of this study could be used to optimize the effectiveness of current control interventions and to guide the imple-mentation of new, innovative and sustainable strategies.

To investigate the impact of electrode structure on Electrical Stimulation Therapy (EST) for chronic wound healing, this study designed three variants of flexible microelectrodes (FMs) with Ag-Cu coverings (ACCs), each exhibiting distinct geometrical configurations: hexagonal, cross-shaped, and serpentine. These were integrated with PPY@PDA/PANI (3/6) hydrogel dressings. Comprehensive animal studies, coupled with detailed electrical and mechanical modeling and simulations, were conducted to assess their performance. Results indicated that the serpentine-shaped FM outperformed its counterparts in terms of flexibility and safety, exhibiting minimal thermal effects and a reduced risk of burns. Notably, FMs with metal coverings under 3% demonstrated promising potential for optoelectronic self-powering capabilities. Additionally, simulation data highlighted the significant influence of hydrogel non-uniformity on the distribution of electrical properties across the skin surface, providing critical insights for optimizing EST protocols when employing hydrogel dressings.

A novel process design for damage-free and highly accurate positional integration of an optical multi-axial force sensor into a hollow tube by means of rotary swaging is introduced. Numerical simulations reveal relevant process phenomena of thin disc joining inside a pre-toothed hollow tube and help to find an optimal process design. Experimental trials show a significant effect of axial material flow and the number of tools in a rotary swaging process. By taking these effects into account, a successful form- and force-fit joining of the sensor carrying discs into the tube can be achieved. A successful joining of an optical sensor for bending forces and torque measurement shows hysteresis-free sensory behavior and thus backlash-free joining of the sensor carrier discs. The paper finishes with presenting an approach for closed-loop position controlling during the joining process and numerically investigation of the process design.

In this review, we summarize recent progress in crystal growth and understanding the influence of crystal structure on the superconductivity in pure and Pb-doped Bi2Sr2CuOy (Bi-2201) materials belonging to the overdoped region of high temperature cuprate superconductors. The crystal growth of Bi-2201 superconductors faces challenges due to intricate materials chemistry and lack of knowledge of corresponding phase diagrams. Historically, a crucible-free floating zone method has emerged as the most promising growth approach for these materials, resulting in high-quality single crystals. This review outlines the described in the literature and the authors' synthesis endeavors, encompassing Pb-doped Bi-2201 crystals, detailed structural characterization of as-grown and post-growth annealed samples, and highlights optimal growth conditions that yield large-size, single-phase, and compositionally homogeneous Bi-2201 single crystals.

Prosthetic device is designed to function as a replacement for a missing limb and typically consists of suspension, liner, socket, pylon and foot components. The objectives of this research are to design a pylon component of a transtibial prosthetics by implementing auxetic metamaterial and to also validate performance of the designed pylon under quasi-static and dynamic conditions. The design and analysis processes are conducted using the finite element analysis and its effectiveness is validated by experimental testing of the prototype pylon sample. In the design process, the pylon structure is formulated by rearranging 2D re-entrant hexagon model into 3D model. It is identified from the design evaluation that the pylon exhibits the stiffness of the value of 79.24, 2371.6, and 13344 kN/m for the ligament thickness variation of 0.3 mm, 1 mm, and 2 mm, respectively. This directly indicates a capability of the stiffness tuning of the pylon by changing the ligament thickness. It is evaluated that the pylon with the ligament thickness of 0.3 mm causes the deformation of 0.53 cm during a single period of gait cycle, while the ligament thickness of the 1 mm causes the deformation of 0.4 cm. The deformation physically indicates the energy absorption of the pylon structure and hence the thinner ligament, the higher energy absorption provides. It is also found from the deformation transition of the primary and secondary bends, the negative Poisson’s ratio is occurred in 3D model transformed from 2D re-entrant hexagon.

: AliCPT-1 is the first Cosmic Microwave Background (CMB) experiment in China, dedicated to achieve accurate measurements of B-mode polarization. Situated in Ali of Tibet, China, this telescope is currently undergoing deployment and will operate in two frequency bands centered at 90 and 150 GHz. The Far-Field Flat Mirror（FFF）is a calibration device of AliCPT-1 telescope for far-field beam mapping. The design of FFF is optimized for easy assembly and adjustment. Meteorological station data reveals that the maximum wind speed near FFF is 17.5 m/s, while the maximum wind speed on the windward side is 8 m/s. The wind pressure on FFF was analysed using a maximum wind speed of 17.5m/s as the input condition, based on the fluid-structure coupling method in ANSYS. The results demonstrate that it is safe and reliable when withstanding combined gravity and wind pressure loads. The torque on the mount is within the motor rated torque. The flatness of the FFF reflective surface can be adjusted to an RMS value of 0.05 mm when taken into account the effect of gravity and assembly accuracy. The deformation caused by the maximum wind loads is approximately 0.0587 mm under the protection of wind-proof wall. The combined deformation is 0.077 mm in RMS value combining the two influences, which is less than 1/20 of wavelength. The FFF mirror assembly is stable and precisely for telescope calibration.

To improve the adaptability of aerial reflective opto-mechanical structures to low-temperature environments, an optimized thermal control design is proposed. Firstly, the relationship be-tween conventional heating methods and axial/radial temperature differences of mirrors with different shapes is analyzed. Based on heat transfer analyses, it is pointed out that optimized thermal control design is necessary to ensure the temperature uniformity of the fused silica mirror and take into account the temperature level when working in low temperature environ-ments. A thermal control scheme based on temperature negative feedback variable power zone heating is proposed for the characteristics of aerial electro-optics systems. Using the thermal control scheme at low temperatures ensures that the average temperature of the mirror fluctu-ates slowly and slightly around 20℃. At the same time, the temperature differences within a mirror and between the primary mirror and the secondary mirror can be controlled within 5℃. Thereby, satisfactory image quality is obtained.

The digital economy (DE) has become a major force driving the optimization and upgrading of industrial structures (ISOU), and research on the driving mechanism has yet to be verified. To this end, the driving influence of DE on the ISOU is targeted, and the role played by economic resilience (ER) and innovation is explored. Based on the panel data of 31 provinces in China from 2011 to 2020, the driving influence of the DE on the ISOU is analyzed using a two-way fixed-effects model. The empirical study finds that the DE presents a positive driving effect on both industrial structure advancement and rationalization, and the driving effect is still significant after the addition of control variables and the robust-type test with one period of lag; the DE presents regional differences in ISOU, with the driving effect of the DE on industrial structure advancement in the eastern region having a more significant performance than that of the central and western regions, and the driving influence on the rationalization of industrial structure in the eastern and western regions exceeds that in the central region; the impact of DE on the ISOU has a mediating role through innovation, ER has a moderating role in the process, and innovation as a partial mediator also has a threshold effect, and finally countermeasure suggestions are put forward.

The main development direction of energy efficiency technologies in construction is the creation of various materials with a complex structure and unique strength, thermal and other properties. The aerogel is a material with high porosity and excellent thermal insulation properties. This paper provides the state-of-the-art of aerogel applications for the additive manufacturing of energy efficient buildings. This work provides the experimental and numerical assessment results of thermal conductivity of aerogel-enhanced blanket, the experimental assessment results of thermal performance of aerogel-enhanced building structure, the experimental assessment results of the aerogel application as mixture powder component of the concrete mixture to printing building and the experimental assessment results of the aerogel application as parget powder component. Experimental results show the effect of aerogel powder component application: thermal conductivity decreased by 25%.

Ceramic composites have good strength, fracture toughness and hardness characteristics and are widely used in industry, medicine. The properties of ceramic composites can be controlled at the production stage by setting the internal structure. This is made possible by the development of additive manufacturing. However, not all properties are well understood, especially dynamic fracture resistance and fracture toughness. In order to predict the mechanical behavior of ceramic composites in the manufacturing phase with a controlled structure under dynamic loads, it is convenient to use methods of numerical analysis. The aim of this work was to investigate the influence of loading speed and internal structure on dynamic resistance and fracture toughness of ATZ nanocomposites. Within the framework of the study physical and mathematical model that is used in computational mechanics of materials is developed. In the paper is shown the influence of the loading rate on the strain rate in the region of the shock transition for materials based on ZrO2 - Al2O3 system. The research shows nonlinear effects under intense dynamic loads in the shown composite materials are bound up with either the processes of self-organisation of deformation modes at the mesoscopic level or the occurrence of martensitic phase transformations in matrix volumes adjacent to the strengthening particles.

We have found a region in the northwestern Japan Sea near the Subpolar Front where mesoscale eddies regularly form and circulate. The anticyclonic eddy with a strong dynamic feature, vertically extended to the bottom (~3500 m), multilayer core structure and extreme values of temperature and salinity was sampled there in the cruise in May 2004. The altimetry-based eddy tracking showed that it had a life span of nine months with the size reaching 120 km. CTD observational data were used to explore the eddy’s features and vertical structure. The eddy had a multilayer core with different thermohaline characteristics which could be originated by eddy interaction with the surrounding waters during its life. The evolution of the eddy has been studied and analyzed with the help of altimetry-based Lagrangian indicators of water motion. Performing the particle-tracking numerical experiments, we computed the Lagrangian maps that contain information on the origin of water inside the eddy core and its ‘age’ on every day of the eddy’s life. Inspecting daily-computed Lagrangian maps, we documented the essential events in the evolution of the eddy including its formation, splitting, merger, entrainment and detrainment of water, erosion and eventual decay. All these observations have been verified with the infrared satellite images. The new Lagrangian technique has been applied to calculate day by day the content of water of various origin (coastal, subtropical and subarctic) entrained into the eddy core. It has been found that the surface core has been filled mainly with subtropical water originated in the southern flank of the Subpolar Front. The episodes with cardinal changes of ratio of different water types have been recorded and verified with the infrared satellite images and maps of the origin of water inside the eddy core.

Fish processing by-products such as frames, trimmings, and viscera of commercial fish species are rich in proteins. Thus, they have the potential to be an economical source of proteins that may be used to obtain bioactive peptides and functional protein hydrolysates for the food and nutraceutical industries. The structure, composition, and biological activities of peptides and hydrolysates depend on the freshness and the actual composition of the material. Peptides isolated from fisheries by-products showed antioxidant activity. Changes of hydrolysis parameters changed the sequence and properties of the peptides, and determined their physiological functions. Optimization of the value of such peptides and the production costs must be considered for each particular source of marine by-products and for their specific food applications. This review will discuss the functional properties of fisheries by-products prepared using hydrolysis and their potential food applications. It also reviews the structure-activity relationships of the antioxidant activity of peptides as well as challenges to the use of fisheries by-products for protein hydrolysates production.

Bacteria are engaged in a constant battle against preying viruses, called bacteriophages (or phag-es). These remarkable nano-machines pack and store their genomes in a capsid and inject it into the cytoplasm of their bacterial prey following specific adhesion to the host cell surface. Tailed phages possessing dsDNA genomes are the most abundant phages in the bacterial virosphere, particularly those with long, non-contractile tails. All tailed phages possess a nano-device at their tail tip that specifically recognizes and adheres to a suitable host cell surface receptor, being pro-teinaceous and/or saccharidic. Adhesion devices of tailed phages infecting Gram-positive bacte-ria are highly diverse and, for the majority, remain poorly understood. Their long, flexible and multi-domain encompassing tail limits experimental approaches to determine their complete structure. We have previously shown that the recently developed protein structure prediction program AlphaFold2 can overcome this limitation by predicting the structures of phage adhesion devices with confidence. Here, we extend this approach and employ AlphaFold2 to determine the structure of a complete phage, the lactococcal P335 phage TP901-1. Herein we report the structures of its capsid and neck, its extended tail, and the complete adhesion device, the baseplate, which was previously partially determined by X-ray crystallography.

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

This article investigates on the radial and non-radial geodesic structures of the generalized K-essence Vaidya spacetime. Within the framework of K-essence geometry, it is important to note that the metric does not possess conformal equivalence to the conventional gravitational metric. This study employs a non-canonical action of the Dirac-Born-Infeld kind. In this work, we categorize the generalized K-essence Vaidya mass function into two distinct forms. Both the forms of the mass functions have been extensively utilized to analyze the radial and non-radial time-like or null geodesics in great details inside the comoving plane. Indications of the existence of wormhole can be noted during the extreme phases of spacetime, particularly in relation to black holes and white holes, which resemble the Einstein-Rosen bridge. In addition, we have also detected the distinctive indication of the quantum tunneling phenomenon around the central singularity.

Glycosaminoglycans (GAGs) with unique structures from marine animals show intriguing pharmacological activities and negligible biological risks, providing more options for us to explore safer agents. Swim bladder is a tonic food and folk medicine, and its GAGs show good anticoag-ulant activity. In this study, two GAGs SJG-1.0 and GMG-1.0 have been extracted and isolated from the swim bladder of Sphyraena jello and Gadus morhua. The physicochemical properties, pre-cise structural characteristics, and anticoagulant activities of these GAGs were determined. The analysis results of the SJG-1.0 and GMG-1.0 showed that they were chondroitin sulfate (CS)/dermatan sulfate (DS) hybrid chains with molecular weights of 109.32 kDa and 123.13 kDa, respectively. They were mainly composed of the repeating disaccharide unit of -{IdoA-α1,3-GalNAc4S-β1,4-}- (DS-A). The DS-B disaccharide unit of -{IdoA2S-α1,3-GalNAc4S-β1,4-}- also existed in both SJG-1.0 and GMG-1.0. SJG-1.0 had a higher proportion of CS-O disaccharide unit -{-GlcA-β1,3-GalNAc-β1,4-}-, while GMG-1.0 contained higher proportion of CS-E disaccha-ride unit -{-GlcA-β1,3-GalNAc4S6S-β1,4-}-. The disaccharide compositions of the GAGs varied in a species-specific manner. Anticoagulant activity assay revealed that both SJG-1.0 and GMG-1.0 had potent anticoagulant activity, which can significantly prolong activated partial thrombosis time. GMG-1.0 also can prolong the thrombin time. SJG-1.0 showed no intrinsic tenase inhibition ac-tivity, while GMG-1.0 can obviously inhibit intrinsic tenase with EC50 of 58 nM. Their significantly different anticoagulant activities may be due to their different disaccharide structural units and proportions. These findings suggested that the swim bladder CS/DS hybrid chains with well-defined structure may be safer anticoagulants with low bleeding risk.

Biological function depends on the composition as well as structure of the organism, that is the organization of interactions between its parts. In multicellular organisms, the complex communication between cells is crucial for the coordination of cellular functions (growth, differentiation, apoptosis), compartmentalization of cellular processes within the organism, and the integration of cells into functioning higher levels of structural organization. Here we focus on the interaction among cells, as the basic level of biological organization, capable of a remarkable degree of autonomy and self-maintenance. While a wealth of data on putative cell interactions has recently become available, its biological interpretation depends on expectations we have for the structure of these interaction networks. This contribution is an attempt at formulating basic questions we may ask about cell interaction data. We build on the understanding that cells fulfill two general functions: the integrity-maintaining and the organismal service function. We derive the expected patterns of cell interactions considering two intertwined aspects: the immediate functional and the evolutionary. Based on these, we propose several guidelines for analysis and interpretation of transcriptional cell-interactome data.

The combined efect of shape and electrostatic complementarities (Sc, EC) at the interface of the interacting protein partners (PPI) serves as the physical basis for such associations and is a strong detterminant of their binding energetics. EnCPdock (https://www.scinetmol.in/EnCPdock/) presents a comprehensive web-platform for the direct conjoint comparative analyses of complementarity and binding energetics in PPIs. It elegantly interlinks the dual nature of local (Sc) and non-local complementarity (EC) in PPIs using the Complementarity Plot. It further derives an AI-based ∆G_binding with a prediction accuracy comparable to the state-of-the-art. This book-chapter presents a practical manual to conceptualize and implement EnCPdock with its various features and functionalities, collectively having the potential to serve as a valuable protein engineering tool in the design of novel protein interfaces.

The mechanical properties, structure, and morphology of milled and 3D printed Ti-6Al-4V alloys produced by selective laser melting were investigated in this study. The mechanical properties were investigated by means of nanoindentation, a tensile test, and a three-point bending test. The Atomic Force Microscope (AFM) was used to study the surface topography and roughness of both titanium alloys. The surface structure and phase analysis were studied by a scanning electron microscope (SEM) and through powder X-ray diffraction (XRD). The results from the nanoindentation experiments showed that the 3D-printed sample has higher indentation hardness and modulus than the milled one. The AFM observation of the surface topography of the samples showed that the milled sample has a higher roughness than the 3D-printed one. The tensile test results showed that the 3D printed sample by means of Selective Laser Melting (SLM) technology has about 26% higher tensile strength and smaller elongation than the milled one. The 3-point bending test revealed that the 3D printed Ti-6Al-4V sample has higher flexural strength than the milled one. It was found that the 3D-printed sample has a smaller crystal size than the milled one, which, according to the Hall-Petch relationship, leads to its higher indentation hardness.

A new copper(I) complex, [Cu2(L)2dppm](PF6)2 (1) [L = 3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine and dppm: Bis(diphenylphosphino)methane] was prepared and characterized by IR, 1H-NMR, 31P-NMR spectroscopy, elemental and thermogravimetric analysis, and single-crystal X-ray diffraction technique. Complex 1 is a dinuclear compound, showing that L and dppm act as tridentate and bidentate chelating ligands, respectively. The two Cu(I) atoms exhibit a distorted tetrahedral coordination sphere embedded in N3P environments. The supramolecular interactions in the solid-state structure are characterized by C−H···N, C−H···F, C-H···π and π···π intermolecular interactions that were analyzed by inspection of the Hirshfeld surface and fingerprint plots. Additionally, the complex was studied experimentally in solution by UV–Vis spectroscopy and cyclic voltammetry; also, theoretical studies with Time-Dependent Density Functional Theory (TD-DFT) were performed. Moreover, the optical and electrochemical properties have been studied, focusing on the band gap. Compound 1 has been used as a co-sensitizer in a dye-sensitized solar cell, showing good activity.

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 echnique was employed. Pre-crystallization was achieved by heating 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 dis-solve the perovskite for 30-40 seconds. Subsequently, residual solvent was removed through spin coating. The recrystallization process was carried out by heating films at the temperature range of 80 to 130 °C. The morphological analysis of the perovskite film surfaces after recrystallization at tem-peratures 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 con-firmed by the peaks observed in the X-ray diffraction patterns.

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

We present three reduced integrable hierarchies of nonlocal integrable NLS type equations from a vector integrable hierarchy associated with a matrix Lie algebra, not being A type. Three similarity transformations are taken to keep the invariance of the transformed zero curvature equations. The key step is to formulate a solution to a reduced stationary zero curvature equation so that the zero curvature formulation works for a reduced case.

In recent times, the soft robotics field is gaining numerous research focus owing to its high level of manipulation capabilities unlike traditional rigid robots, which gives room for an increasing use in other areas. However, compared to traditional rigid gripper robots, being capable of controlling/obtaining overall body stiffness when required is yet to be further explored since soft gripper robots have inherently less rigid properties. unlike previous designs with very complex variable stiffness systems, this paper demonstrates a soft gripper design with minimum system complexity while being capable of varying the stiffness of a continuum soft robotic actuator and proves to have potential applications in gripping objects of various shapes, weights & sizes. The soft gripper actuator comprises two separate mechanisms; the pneumatic mechanism for bending control and the mechanical structure for stiffness variation by pulling tendons using stepper motors which compresses the actuator, thereby changing the overall stiffness. The pneumatic mechanism was first fabricated and then embedded into another silicon layer during which it was as well merged with the mechanical structure for stiffness control. By first pneumatically actuating the actuator which causes bending and then pulling the tendons, we found out that the actuator stiffness value can be increased up to 145 % its initial value, and the gripper can grasp & lift a weight of up to 2.075 kg.

The porous structure is an important three-dimensional morphological feature of the peripheral nerve guidance conduit (NGC), which permits infiltration of cells, nutrients, and molecular signals, and the discharge of metabolic waste. Porous structures with precisely customised pore sizes, porosities, and connectivities were used to construct fully permeable, semi-permeable, and asymmetric peripheral NGCs to replace traditional nerve autografts in treatment of long-segment peripheral nerve injury. In this review, the features of porous structures and classification of NGCs based on these characteristics are discussed. Common methods for constructing 3D porous NGCs in current research are described, as well as the pore characteristics and the parameters used to tune the pores. The effects of the porous structure on the physical properties of NGCs including biodegradation, mechanical performance, and permeability were analysed. Pore structure affects the biological behaviour of Schwann cells, macrophages, fibroblasts, and vascular endothelial cells during peripheral nerve regeneration. Construction of ideal porous structures is a significant advancement in the regeneration of peripheral nerve tissue engineering materials. The purpose of this review is to generalise, summarise, and analyse the preparation methods for porous NGCs and their biological functions in promoting peripheral nerve regeneration to guide development of medical nerve repair materials.

In this paper, we present a new stress calculation method for flexible structures, particularly, the tensile armors, and apply it to flexible riser fatigue analysis. The method is based on a 3-dimensional curved bar theory. First, the tensile armor center line was described as a cylindrical helix curve, its bended curve length and bending migration length were derived and studied under different friction scenarios. Second, the tensile and bending stiffness was given with consideration of frictional hysteretic effect, and verified through FEA analysis results. Third, we presented the stress calculation formula for tensile armor under tension and bending load. All stress components are considered, including tensile, bending and shear stresses. Fourth, the method was benchmarked with published experimental results on a flexible prototype tension and bending tests, and comparisons showed general agreements. Fifth, the method is further applied to a 8” flexible riser for fatigue assessment and lifetime extension evaluation, and showed the flexible riser has sufficient remaining fatigue life, and is suitable to continue its service under the current operating conditions. Last, conclusions are drawn. It concluded that the presented tensile armor stress calculation method and modelling techniques are valid for flexible riser fatigue analysis. This method is time efficient, and can be implemented into other multi-scale models for riser dynamic analysis. It is also applicable to other similar helix structure stress analysis, such as wire ropes, submarine hoses, and subsea umbilicals.

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

Anaerobic digestion has emerged as an increasingly popular method for the effective management of organic waste and wastewater with the potential to generate renewable energy. However, efficient digestion depends heavily on the complex and diverse microbial communities mediating this process. This review paper delves into the complex microbiome that exists within anaerobic digestion digesters, playing a critical role in the efficient and sustainable conversion of organic waste into biogas. Its primary focus falls within the scope of how various operational and environmental factors, including temperature, pH, hydraulic retention time, substrate loading rates, and the presence of inhibitory compounds, can substantially impact the microbiome of these systems. Through an extensive analysis of the existing literature, the microbial ecology of anaerobic digestion, including the composition and function of the microbial community, their interactions, and responses to different stressors, are evaluated. By offering critical insights into the distribution patterns of active microbial populations upon alterations in various process parameters, a better understanding of the microbial dynamics within these systems is provided, enhancing their efficiency. Overall, this paper emphasizes the importance of unraveling the microbial evolution within AD reactors to optimize biogas production and sustainable waste management and proposes future perspectives in this direction.

In recent years, two-dimensional (2D) materials have attracted significant attention due to their distinctive properties, including exceptional mechanical flexibility and tunable electronic properties. Via the first-principles calculation, we investigate the effect of strain on the electronic properties of monolayer SnP2S6 and GeP2S6. We find that monolayer SnP2S6 is an indirect band gap semiconductor, while monolayer GeP2S6 is a direct band gap semiconductor. Notably, under uniform biaxial strains, SnP2S6 undergoes an indirect-to-direct band gap transition at 4.0% biaxial compressive strains, while GeP2S6 exhibits a direct-to-indirect transition at 2.0% biaxial tensile strain. The changes of the conduction band edge can be attributed to the high-symmetry point Γ being more sensitive to strain than K. Thus, the relocation of the conduction-band and valence-band edges in monolayer SnP2S6 and GeP2S6 induces a direct-to-indirect and indirect-to-direct band-gap transition respectively. Consequently, the strain is an effective band engineering scheme which is crucial for the design and development of next-generation nanoelectronic and optoelectronic devices.

Plant breeding aims to develop elite crop varieties appropriate for various environments with higher quality and quantity of production. Researchers use quantitative trait loci (QTL) mapping and association studies to identify regions in the genome responsible for the variation of the quantitative traits of interest. However, mapped regions do not always translate to functional proteins, which makes it challenging to identify genes associated with traits of interest. The biological functions of proteins are strongly dependent on their 3D structure. Alternatively, if proteins can be directly linked with the phenotypes, the effect of mutations on phenotypic changes can be assessed. Innovation of deep learning models in biology opens new avenues of exploration. AlphaFold is an AI system that predicts the 3D structure of a protein from its amino acid sequence with near experimental accuracy and was used in this study. Point mutations with a significant influence on the 3D structure of a protein can capture the effect on phenotypes through association study, and this provides insights into the regions that are of functional importance. In the current study, 534 plants were selected based on plant vigor, and 154 missense variants that change amino acid sequences, including 5 significant hits from previous study, were included. The changes in protein 3D structure were assessed by association with the phenotype. The analysis identified five significant associations, four of which were also identified in previous study of SNPs GWAS, however, a new fifth association was also identified which was annotated as disease resistance gene in Medicago truncatula. This study helps to associate SNPs that could be missed by GWAS due to stringent Bonferroni corrected p-values by providing a more robust filter for SNPs using features from predicted protein 3D structures.

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

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

Since the early 21st century, the globalization trend and technological innovations have changed the ways and speed of market growth. Rapid market expansion and the pressure for firms to achieve sustainable business growth via mergers and acquisitions have become the norms for acquiring the necessary competencies, expanding market shares and business integrations. This study explains the factors that correlate to the IJM's financial performance based on the market dynamics in recent years. This case study is a qualitative approach employing systematic review and content analysis. As a result, firms begin to diversify or venture into the business segments that might be related to or complement their core businesses, intentionally or unintentionally, which eventually evolved into the conglomerate form. This case study provides a financial performance analysis of IJM Corporation Berhad's success and challenges from its conglomerate business model. The fact that a well-diversified firm will have better risk management in the event of an economic downturn is also a primary driver for firms to embark on a corporate diversification strategy. This case study reveals IJM's conglomerate model has been successful during its rapid business growth; however, it has shown signs of diminishing in recent years.

Fake news detection has become a significant topic based on the fast-spreading and detrimental effects of such news. Many methods based on deep neural networks learn clues from claim content and message propagation structure or temporal information, which have been widely recognized. However, such models (i) ignore the fact that information quality is uneven in propagation, which makes semantic representations unreliable. (ii) Most models do not fully leverage spatial and temporal structure in combination. (iii) Finally, internal decision-making processes and results are non-transparent and unexplained. In this study, we develop a trust-aware evidence reasoning and spatiotemporal feature aggregation model for more interpretable and accurate fake news detection. Specifically, we first design a trust-aware evidence reasoning module to calculate the credibility of posts based on a random walk model to discover high-quality evidence. Next, from the perspective of spatiotemporal structure, we design an evidence-representation module to capture the semantic interactions granularly and enhance the reliable representation of evidence. Finally, a two-layer capsule network is designed to aggregate the implicit bias in evidence while capturing the false portions of source information in a transparent and interpretable manner. Extensive experiments on two benchmark datasets indicate that the proposed model can provide explanations for fake news detection results, as well as can achieve better performance, boosting 3.5% in F1-score on average.

Dibenzocycloctynes have emerged as a promising scaffold for bioorthogonal ligation. An important structural aspect that has not been addressed so far is connected with their chirality. Herein, we explore by theoretical and experimental methods this structural aspect that has been so far neglected. First, a computational analysis is conducted and results are used as a guideline for experimental investigation. Next, an array of different experiments (HPLC on chiral columns, chiroptical spectroscopy, X-ray diffraction) for structure elucidation are scrutinized in concert. Finally, this work demonstrates the chirality and the stereodynamic behavior of dibenzocycloctynes and of their triazole adducts with simple azides and uncover their conformational behavior.

Alloys based on TiNi are widely used in various fields of technology and medicine. In the present work, we report on preparation of TiNi-alloy based wire with the shape memory effect, which was used for compression clips for surgery. Composition and structure of the wire, and its martensitic and physical-chemical properties were studied using SEM, TEM, optic microscopy, profilometry, mechanical tests, etc. The TiNi alloy was found to consist of B2 and B19' and secondary-phase particles of Ti2Ni, TiNi3 and Ti3Ni4. Its matrix was slightly enriched in Ni (50.3 at. % of Ni). Homogeneous grain structure was revealed (an average grain size of 19±0.3 μm) with equal quantities of grain boundaries of special and general types. Surface oxide layer provide improved biocompatibility and promote adhesion of protein molecules. Overall, the obtained TiNi wire was concluded to exhibit martensitic, physical and mechanical properties suitable for its use as an implant material. The wire was then used for manufacturing compression clips with the shape memory effect and applied in surgery. The medical experiment that involved 46 children demonstrated that the use of such clips in children with double-barreled enterostomies permitted to improve the results of surgical treatment.

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

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

Magnesium and Aluminum alloys continue to be important in the context of modern and lightweight technologies. With the advancement of additive manufacturing (AM), components can be produced directly in a net shape, widen up the usage of magnesium and aluminum alloys as well as holding new ideas for the application of unique physical structures made feasible by 3D printing. Laser-based approach, one of the metal additive manufacturing (AM) methods, enables the formation of arbitrary 3D structures. With promising findings, research in this area is advancing quickly, bringing up a variety of potential applications in both the scientific and industrial sectors. Complex structures can now be manufactured easily utilizing AM technologies to meet the pre-requisite objectives like reduced part numbers, greater functionality, and lightweight, among others. AM has the ability to meet demands by lowering costs and speeding up the manufacturing process. Due to their popularity in numerous high-value applications, aluminum, and magnesium alloys are one of the key material systems being researched in the laser-based additive manufacturing approaches. The review here aims to comprehensively examine the additive manufacturing of magnesium and aluminum alloys, highlighting the influence of the laser-based additive manufacturing approach on the mechanical characteristics, microstructure, and tribological performance of magnesium and aluminum alloys.