By manipulating the various physico-chemical properties of amino acids, design of peptides with specific self-assembling properties has been emerging since more than a decade. In this context, short peptides possessing detergent properties (so-called “peptergents”) have been developed to self-assemble into well-ordered nanostructures that can stabilize membrane proteins for crystallization. In this study, the peptide with “peptergency” properties, called ADA8 extensively described by Zhang et al., is studied by molecular dynamics for its self-assembling properties in different conditions. In water, it spontaneously forms beta sheets with a β barrel-like structure. We next simulated the interaction of this peptide with a membrane protein, the bacteriorhodopsin, in the presence or absence of a micelle of dodecylphosphocholine. According to the literature, the peptergent ADA8 is thought to generate a belt of β structures around the hydrophobic helical domain that could help stabilize purified membrane proteins. Molecular dynamics is here used to challenge this view and to provide further molecular details for the replacement of detergent molecules around the protein. To our best knowledge, this is the first molecular mechanism proposed for ''peptergency''. In addition, our calculation approach should serve as a predicting tool for the design of beta peptergent with diverse amphipathic properties.

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.

Fe[C5H5N]2[N(CN)2]2 (1) was synthesized from a reaction of stoichiometric amounts of NaN(CN)2 and FeCl2·4 H2O in a methanol/pyridine solution. Single-crystal and powder diffraction show that 1 crystallizes in the monoclinic space group I2/m (no. 12), different from Mn[C5H5N]2[N(CN)2]2 (P21/c, no. 14) due to tilted pyridine rings, with a = 7.453(7) Å, b = 13.167(13) Å, c = 8.522(6) Å, β = 114.98(6)° and Z = 2. ATR-IR, AAS, and CHN measurements confirm the presence of dicyanamide and pyridine. Thermogravimetric analysis shows that π-stacking interactions of the pyridine rings play an important role in structural stabilization. Based on DFT-optimized structures, a chemical bonding analysis was performed using a local-orbital framework by projection from a plane-wave basis. The resulting bond orders and atomic charges are in good agreement with the expectations based on the structure analysis. SQUID magnetic susceptibility measurements show a high-spin state FeII compound with predominantly antiferromagnetic exchange interactions at lower temperatures.

Henry’s constants for different existing compounds in water have great importance in transfer calculations. Measurement of these constants face different difficulties including high costs of experiment and low accuracy of measurement apparatus. Due to these facts, proposing a low cost and accurate approach becomes highlighted. To this end, adaptive neuro-fuzzy inference system (ANFIS) and least squares support vector machine (LSSVM) have been used as Henry’s constant predictor tools. The molecular structure of compounds has been used as inputs of models. After training the models, the visual and mathematical studies of outputs have been done. The coefficients of determination of LSSVM and ANFIS algorithms are 0.999 and 0.990 respectively. According to the comprehensiveness of databank and accurate prediction of algorithms, it can be concluded that LSSVM and ANFIS algorithms are accurate methods for prediction of Henry’s constant in wide range of chemical structure of compounds in water.

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.

In the current study nanocellulose was isolated from walnut shell using mechanical and chemical methods. This study highlights the particle size, morphology and these methods’ efficiency in nano structure extraction. The difference between morphology and size of the particles (of the both extracted methods) were investigated by field emission scanning electron microscopy (FESEM). Walnut shell is an agro-waste material with source of lignin and cellulose. Ball mill-ing with different times, in the presence and absence of additive and acid hydrolysis were used as mechanical and chemical methods, respectively. The result showed mechanical method is unable to extract nanoparticle and just reshape the walnut shell. Milling time were also found important in morphology of fiber extracted. FE-SEM images represented that structure mean diameter of using ball mill was 1± 5 μm while hydrolysis acid method extract nano particle with mean diameter of 40± 20 nm.

The evolution of metals micro/nano-structure upon severe plastic deformation (SPD) is still far to be theoretically explained, while experimental datasets are persistently growing for several decades. Major problem associated with understanding of SPD is related to a fact that the latter is a synergetic product of several competing physical effects which alter the material micro/nano-structure. In attempt to find deformational boundaries, where predominantly one mechanism determines the micro/nano-structure, in this paper we propose a continuous piecewise model for the analysis of experiments on material hardness vs strain of SPD processed materials. The novelty of this approach lies in its ability to find, as free-fitting parameters, the strain breakpoints which separate different micro/nano-structure modes generated upon SPD process. The model is applied to analyse experimental data for polycrystalline samples of pure iron and two distinctive strain breakpoints are revealed with good accuracies. This finding is in a good agreement with our earlier results on TEM microscopy studies on pure iron polycrystals after SPD treatment.

Peanut production contributes to food security in northern Ghana due to its ability to tolerate drought and survive on marginal lands. This notwithstanding, poor handling along the value chain favors aflatoxin contamination, a threat to human and animal life. Farmer-led improved storage practice, a potential solution to aflatoxin contamination, have been promoted in northern Ghana. However, there is limited evidence on the factors influencing the use of the improved storage system that may guide dissemination efforts. Using the Cragg’s two stage model, our results show that the probability and intensity of adopting the improved storage structure is principally and significantly influenced by economic active household members, storing of peanut in other places relative to the field, and location of farmer residence. In disseminating the improved peanut storage structure, the identified factors must be incorporated in the selection criteria to ensure maximum uptake and usage. Farmer training programs that incorporate both good agronomic practices and good storage practices must be intensified to reduce postharvest losses due to aflatoxin contamination. These strategies will help mitigate the harmful effect of aflatoxin, ensure economic sustainability, and enhance food security.

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

The black-necked crane is the only species that lives in the plateau. At present, there is little re-search on viral diseases of the black-necked crane. In this study, a virus metagenomics approach was employed to investigate the viral composition of black-necked cranes in Saga County, Shi-gatse City, Tibet, China. The identified virus families carried by black-necked cranes mainly in-clude Genomoviridae, Parvoviridae, and Picornaviridae. Among them, one picornavirus genome is characterized as a novel species in the genus Grusopivirus of the family Picornaviridae, four new parvoviruses genome were obtained and classified into four different novel species within the genus Chaphamaparvovirus of the subfamily Hamaparvovirinae, and four novel genomoviruses ge-nome were also acquired and identified as members of three different species including Ge-mykroznavirus haeme1, Gemycircularvirus ptero6, and Gemycircularvirus ptero10. All of these viruses were firstly detected in fecal samples of black-necked cranes. This study provides valuable in-formation for understanding the viral community composition in the digestive tract of black-necked cranes in Tibet and for monitoring, preventing, and treating black-necked cranes viral diseases.

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 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.

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.

The MLL1 gene located on chromosome 11q23, is crucial for histone lysine-specific methylation and is frequently implicated in various leukemia types. Despite prior in silico investigations into non-synonymous single nucleotide polymorphisms (nsSNPs) associated with leukemia in the MLL1 gene, there is a dearth of comprehensive studies evaluating their impact on the protein's structure, function, and post-translational modifications. Addressing this, our study screened 2049 nsSNPs from the dbSNP database, identifying 62 high-risk variants. A thorough domain analysis revealed that these nsSNPs are distributed across seven domains of the MLL1 protein, potentially affecting their functions. Our conservation analysis highlighted 31 nsSNPs as deleterious, suggesting their potential effects on protein stability and function. Furthermore, utilizing the MutPred2 tool, we identified mutations affecting metal-binding, protein loop structures, and post-translational modifications, which could alter the MLL1 protein's native functionality. Interaction network analysis underscored the role of MLL1 in hematopoietic cell development, implying that mutations may influence hematological malignancies. Additionally, a subset of non-coding SNPs was found to possess regulatory capabilities, potentially affecting gene expression and chromatin modification. Most significantly, using CScape and CScape-somatic tools, four nsSNPs were predicted to be oncogenic, with two classified as cancer drivers, underscoring their potential role in leukemia development. The oncogenic nsSNP, D2724G, located between the FY-rich N and FY-rich C domain of the MLL1 protein, has raised significant interest due to its potential impact on proteolytic cleavage. Predictive analyses, such as those by Mutpred2, suggest a loss of cleavage at D2724 caused by this mutation, potentially affecting the formation of essential MLL1 fragments, p320 and p180. These fragments play a crucial role in creating a stable multiprotein complex that localizes to a specific subnuclear region. Therefore, mutations like D2724G can potentially alter gene expression patterns, influencing cellular behavior and possibly fostering a cancer-prone environment. In conclusion, our research provides an in-depth assessment of the effects of nsSNPs in the MLL1 gene on leukemia, offering potential avenues for personalized treatment strategies, early detection, prognosis, and a better understanding of hematological malignancy genesis.

The paper shows an analysis of the large-scale distribution of galaxy spin directions of 739,286 galaxies imaged by DES. The distribution of the spin directions of the galaxies exhibits a large-scale dipole axis. Comparison of the location of the dipole axis to a similar analysis with data from SDSS, Pan-STARRS, and DESI Legacy Survey shows that all sky surveys exhibit dipole axes well within 1$\sigma$ error from each other. While non-random distribution is unexpected, the findings are consistent across all sky surveys, regardless of the telescope or whether the data were annotated manually or automatically. Possible errors that can lead to the observation are discussed. The paper also discusses previous studies showing opposite conclusions, and analyzes the decisions that led to these results. Although the observation is provocative, and further research will be required, the existing evidence justifies to consider the contention that galaxy spin directions as observed from Earth are not necessarily randomly distributed. Possible explanations can be related to mature cosmological theories, but also to the internal structure of galaxies.

Metamorphosis is a critical process for most anurans to transition from water to land. The appearance of air-breathing lungs occurs during the change in oxygen medium from water to air. Revealing the structural construction and molecular switches of lung organogenesis is essential to understand the realization of air-breathing function. In this study, histology and transcriptomics were combinedly conducted to explore these issues in Microhyla fissipes lungs during metamorphosis. During the pro-metamorphic phase, histological structure improving of the alveolar wall was accompanied by robust substrate metabolism and protein turnover. The lungs, at the metamorphic climax phase, are characterized by an increased number of cilia in the alveolar epithelial cells and collagenous fibers in the connective tissues, corresponding to the transcriptional upregulation of cilia and extracellular matrix-related genes. The post-metamorphic lungs strengthen the contracting function, as suggested by the thickened muscle layer and the upregulated expression of genes involved in muscle contraction. The blood–gas barrier is fully developed in adult lungs whose transcriptional features are tissue growth and differentiation regulation and immunity. Importantly, significant transcriptional switches of pulmonary surfactant protein and hemoglobin facilitate air-breathing. Our results illuminated four key steps of lung development for amphibians to transition from water to land.

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

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.

In this work, oxygen-doped g-C3N4 mesoporous nanosheets (O-CNS) were synthesized via a facile recrystallization method with the assistance of H2O2. The crystal phase, chemical composition, morphological structure, optical property, electronic structure and electrochemical property of the prepared O-CNS samples were well investigated. The morphological observation combining with nitrogen adsorption-desorption results demonstrated that the prepared O-CNS samples possessed nanosheets-like morphology with porous structure. The O doping into g-C3N4 resulted in the augment of specific surface area, which could provide more active sites for photocatalytic reaction. Simultaneously, the visible-light absorption capacity of O-CNS samples was boosted owing to the regulation of O doping. The built energy level induced by the O doping could accelerate the migration rate of photoinduced carriers, and the porous structure was most likely to speed up the release of hydrogen during photocatalyic hydrogen process. Resultantly, the photocatalytic hydrogen production rate of the optimized oxygen-doped g-C3N4 nanosheets reached up to 2012.9 μmol•h-1•g-1, which was 13.4 times higher than that of bulk g-C3N4. Thus, the significantly improved photocatalytic behavior was imputed to the porous structure, the augment of active sites, and the enhancement of visible light absorption and charge separation efficiency.

Recent findings have demonstrated an increase in the prevalence of childhood obesity and overweight in Portugal, urging the need to study modifiable risk factors such as parental feeding practices. The Comprehensive Feeding Practices Questionnaire (CFPQ) is an important self-report measure assessing a broad range of responsive and non-responsive feeding practices. However, the CFPQ has not yet been validated in Portugal. Therefore, the present study aimed to test the validity of this measure with Portuguese parents of 2- to 8-year-old children. A sample of 409 parents completed a Portuguese-adapted version of the CFPQ and the already validated Child Feeding Questionnaire (CFQ). Confirmatory Factor Analysis (CFA), Exploratory Factor Analysis (EFA), and psychometric analysis were conducted. CFA demonstrated the original 12-factor structure did not fit the sample. EFA identified an 8-factor structure, comprising 29 items: Monitoring, Modeling, Environment, Involvement, Emotion Regulation, Restriction for Weight Control, Restriction for Health, and Pressure. Findings suggest that parental feeding practices are sensitive to parents’ background culture and children’s developmental period.

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.

The recent advancements in communication technology have facilitated the widespread deployment of electronic communication equipment globally, resulting in the pervasive presence of electromagnetic pollution. Consequently, there is an urgent necessity to develop a thin, lightweight, efficient, and durable electromagnetic interference (EMI) shielding material, capable of withstanding severe environmental conditions, and possessing a scalable production method. In this paper, we proposed an innovative and scalable method for preparing EMI shielding films with a tunable sandwich-structure. The film possesses a nylon mesh (NM) backbone, with AgNWs serving as the shielding coating and aramid nanofibers (ANFs) acting as the cladding layer. The prepared film was thin and flexible, with a thickness of only 0.13 mm. AgNWs could easily form a conductive network structure with excellent performance, and the film had a high EMI shielding efficiency, up to 50.6 dB with 1.0mg/cm2. Due to the outstanding thermal resistance, acid and alkali resistance properties of aramid fibers, the NAAANF film demonstrates remarkable robustness in the face of complex usage environments. Such a thin, efficient and environmentally resistant EMI shielding film provided new ideas for the broad EMI shielding market.

Hong Kong was under strike from Super Typhoon Saola (2309), necessitating the issuance of the highest tropical cyclone warning signal. Saola skirted past the south-southwest of Hong Kong, bringing hurricane force winds and significant storm surge. Saola had its closest approach to Hong Kong on 1 September 2023, posing a unique challenge in forecasting and early warning for the commencement date of the new school term, where higher impact to traffic and public safety was anticipated. This paper covers the challenges on the forecasting aspect of the super typhoon. The predicted tropical cyclone track, intensity and wind structure are reviewed. Experience in this case showed that while there was not a perfect numerical weather prediction model in terms of the forecast track, intensity and wind structure of Saola, multi-model approach provided very use-ful and crucial information for operational weather warning services.

: Extra- and intra-cellular activity occurs under the direction of numerous inter-molecular interactions, and in any tissue or cell, molecules are densely packed, thus promoting those molecular interactions. Galectins and chemokines, the focus of this review, are small, protein effector molecules that mediate various cellular functions, in particular cell adhesion and migration, as well as cell signaling/activation. In the past, researchers have reported that combinations of these (and other) effector molecules act separately, yet sometimes in concert, but nevertheless physically apart and via their individual cell receptors. This view that each effector molecule functions independently of the other limits our thinking about functional versatility and cooperation, and, in turn, ignores the prospect of physiologically important inter-molecular interactions, especially when both molecules are present or co-expressed in the same cellular environment. This review is focused on such protein-protein interactions with chemokines and galectins, their homo- and hetero-oligomeric structures that they can form, and the functional consequences of those paired interactions.

Ethylene is an ideal CO2 product in an electrocatalytic CO2 reduction reaction (CO2RR), which has high economic value. In this paper, Al–doped octahedral Cu2O (Al–Cu2O) catalyst was synthesized by a simple wet chemical method. The selectivity of CO2RR products was improved by doping Al onto the surface of octahedral Cu2O by regulating the Al content. The Al–Cu2O was used as an efficient electrocatalyst for CO2RR with selective ethylene production. The Al–Cu2O exhibited a high Faradic efficiency (FEC2H4) of 44.9% at -1.23 V (vs. RHE) in CO2 saturated 0.1 M KHCO3 electrolyte. Charge transferring from Al atom to Cu atom take place after Al doping in Cu2O, thereby optimizing the electronic structure, which facilitates CO2RR to ethylene production. The DFT calculation showed that the Al–Cu2O catalyst can effectively reduce the adsorption energy of the *CHCOH intermediate and promote the mass transfer of charges, thus improving the FEC2H4. After Al doping into Cu2O, the center of d orbitals shift positively, which makes the d–band closer to the Fermi level. Furthermore, the density of electronic states increases, which was conducted to the interaction between Cu atoms and intermediates, thus accelerating the electrochemical CO2 reduction process. This work proved that the metal doping strategy can effectively improve the catalytic properties of Cu2O, thus providing a useful way for CO2 cycling and green production of C2H4.

The dark proteome as we define it, is the part of the proteome where 3D structure has not been observed either by homology modeling or by experimental characterization in the protein universe. From the 550.116 proteins available in Swiss-Prot (as of July 2016) 43.2% of the Eukarya universe and 49.2% of the Virus universe are part of the dark proteome. In Bacteria and Archaea, the percentage of the dark proteome presence is significantly less, with 12.6% and 13.3% respectively. In this work, we present the map of the dark proteome in Human and in other model organisms. The most significant result is that around 40%- 50% of the proteome of these organisms are still in the dark, where the higher percentages belong to higher eukaryotes (mouse and human organisms). Due to the amount of darkness present in the human organism being more than 50%, deeper studies were made, including the identification of ‘dark’ genes that are responsible for the production of the so-called dark proteins, as well as, the identification of the ‘dark’ organs where dark proteins are over represented, namely heart, cervical mucosa and natural killer cells. This is a step forward in the direction of the human dark proteome.

This paper studies a model of dynamic compensation and capital structure with managerial traits. We show that Optimistic manager perceives equity as more undervalued than debt, while, confident manager perceives debt as more undervalued than equity. Managerial risk aversion mitigates manager’s bias. The risk aversion of the optimistic manager has a convex effect on the optimal coupon. There exists the level of risk aversion eliminating the bias on the leverage. The managerial optimist has an ambiguous effect on the owner’s bankruptcy level. The risk aversion has a convex effect on the owner’s bankruptcy level. The optimistic/confident manager underestimates the credit spread. The risk aversion has convex effect on the credit spread. In contrast to rational manager, the optimistic/confident manger has higher level of effort. The risk aversion has a negative effect on the effort.

Desert ecosystem occupies an important position in the composition of global biodiversity. The Tarim Basin locates in south Xinjiang of China and has the world 's second largest mobile desert, the Taklamakan Desert. As an endemic species in this region, Phrynocephalus forsythii has been demonstrated with potential high extinction risk to climate change. In order to understand the overall genetic status and provide accordant conservation strategies of the species, we investi-gated the genetic diversity and population structure of P. forsythii from 15 sites in the Tarim Basin using 21 highly polymorphic microsatellite markers. We found significant genetic structure across the study region. We also revealed generally low levels of gene flow between the 25 sites, sug-gesting individual dispersal and migration may be restricted within populations. In addition, geographical distance and ambient temperature might be important factors in explaining the observed genetic structure. Our results will provide scientific basis for the future protection of P. forsythii in this area, as well as an important reference for the conservation and management of biodiversity in desert ecosystems.

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.

The atomic nucleus contains protons and neutrons surrounded by a structured electron cloud. Some combinations of protons and neutrons induce the nucleus to behave like a microscopic magnet, possessing a unique magnitude and orientation known as the nuclear magnetic moment (µ). When the numbers of protons and neutrons are both even then µ=0, but otherwise each nu-clide’s nuclear magnetic moment is unique. A second unique nuclear physical property relates to the nucleon binding energy (BE), which can be thought of as the energy between protons and neu-trons bound within the nucleus. The sequence of stable nuclides increases one nucleon at a time through 36Ar. The binding energy associated with the addition of each successive nucleon (∆BE) through this progression is unique. The hypothesis here is that the unique non-zero magnetic mo-ment and ∆ binding energy of each nuclide derive from its respective microscopic nuclear struc-ture, analogous to the way that the atomic physical properties of an element ultimately derive from its unique electron orbital structure. By extension, the identification of nuclear periodic pat-terns might eventually inform a theory of nuclear structure. The light, stable nuclides through 36Ar were arranged in ascending order according to atomic mass, and their nuclear magnetic mo-ments and binding energies were evaluated for periodic patterns. Fixed-period lengths from 4 through 18 nuclides per period were considered. These fixed periods, each of equal length, were stacked one upon the other and analyzed for vertical trends. The best evidence of periodicity in both µ and ∆BE converges precisely at the fixed 12-nuclide period. Implications for nuclear structure are discussed.

Pore structure characterization and fractal analysis have great significance for understanding and evaluating tight limestone reservoirs. In this work, the pore structure of tight limestone is characterized combined with low-temperature nitrogen adsorption (LTNA) and low-field nuclear magnetic resonance (NMR), and the fractal dimension of tight limestone pore structure is discussed based on LTNA and NMR data. The results indicate that the pores of tight limestone have H3 and H4 types, the pore size distribution (PSD) of H3 type is a wave distribution ranging from 2 to 10 nm, and the PSD of H4 type is a unimodal distribution ranging from 2 to 10 nm. The transverse relaxation time (T2) spectrum of tight limestone shows single peak (DF), double peak (SF) and three peak (TF), and the T2 spectrums for micropores, mesopores and macropores range from 0.1 to 10 ms, from 10 to 100 ms, and greater than 100 ms, respectively. The LTNA fractal dimension of tight limestone (DL) ranges between 2.4446 and 2.7688, with an average of 2.5729, and the NMR fractal dimensions of micropores (DNMR1), mesopores (DNMR2) and macropores (DNMR3) are distributed between 0.3744 to 1.1293, 2.4263 to 2.9395 and 2.6582 to 2.9989, respectively. Moreover, there is no correlation between fractal dimension and permeability and porosity, a negative correlation between DL and average pore radius, a positive correlation between DL and specific surface area, and a positive correlation between DNMR2 and DNMR3 and micropore content, while DNMR2 and DNMR3 are negatively correlated with the content of mesopores and macropores.

Registration of the flow pattern fine structure and the matter distribution of a free falling liquid drop in a target fluid at rest in the impact mode of coalescence, when the kinetic energy of the drop exceeds its available potential surface energy (APSE), was carried out by photo and video recording. The main attention was paid to the study of the flow structure at the initial stage of the cavity formation. To carry out color registration, the flow pattern was illuminated by several matrix LED and fiber optic sources of constant light. The planning of experiments and interpretation of the results were based on the properties of the complete solutions of the fundamental equations of fluid mechanics system, including the transfer and conversion of energy processes. Complete solutions of the system of equations describe large-scale flow components that are waves or vortices as well as thin jets (ligaments, filaments, fibers, trickles). In experiments, the jets are accelerated by the converted available potential surface energy (APSE) when the free surfaces of merging fluids were eliminated. The experiments were performed with the coalescence of water, solutions of alizarin ink, potassium permanganate, copper sulphate or iron sulphate drops in deep water. In all cases, at the initial contact, the drop begins to lose its continuity and breaks up into a thin veil and jets, the velocity of which exceeds the drop contact velocity. Small droplets, the size of which grows with time, are thrown into the air from spikes at the jet tops. On the surface of the liquid, the fine jets leave colored traces that form linear and reticular structures. Part of the jets penetrating through the bottom and wall of the cavity forms an intermediate covering layer. The forming layer jets are separated by interfaces of the target fluid. The processes of molecular diffusion equalize the density differences and form an intermediate layer with sharp boundaries in the target fluid. All noted structural features of the flow are also visualized when a fresh water drop isothermally spreads in the same tap water. The fast-changing and finely structured diffuse boundary of merging fluids, which at the initial stage has a complex and irregular shape, is gradually smoothed out by molecular diffusion processes. The similar flow patterns were observed in all performed experiments, however the geometric features of the flow depend on the individual thermodynamic and kinetic parameters of the contacting fluids.

Prunus tenella is a rare and precious relict plant in China. It is an important genetic resource for almond improvement and an indispensable material in ecological protection and landscaping. However, the research of molecular breeding and genetic evolution has been severely restricted, due to the lack of genome information. In this investigation, we created a chromosome-level genomic pattern of P. tenella, 231Mb in length with a contig N50 of 18.1 Mb by Hi-C techniques and high-accuracy PacBio HiFi sequencing. The present assembly predicted 32088 protein-coding genes, and an examination of the genome assembly indicated that 94.7% among all assembled transcripts were alignable to the genome assembly; most (97.24%) were functionally annotated. By phylogenomic genome comparison, we found that P. tenella is an ancient group that diverged approximately 13.4 million years ago (Mya) from 13 additional closely related species and about 6.5 Mya from the cultivated almond. Collinearity analysis revealed that P. tenella is highly syntenic and has high sequence conservation with almond and peach. However, this species also exhibit many presence/absence variants. Moreover, a large inversion at the 7,588 kb position of chromosome 5 was observed, which may have a significant association with phenotypic traits. Lastly, population genetic structure analysis in eight different populations indicated a high genetic differentiation among the natural distribution of P. tenella. This high-quality genome assembly provides critical clues and comprehensive information for the systematic evolution, genetic characteristics, and functional gene research of P. tenella. Moreover, it provides a valuable genomic resource for in-depth study in protecting, developing, and utilizing P. tenella germplasm resources.

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

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

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.

Cancer is a devastating disease with female breast cancer becoming the leading cause of global cancer morbidity. Herein we report the design and synthesis of a sorafenib analog 1A and its base-promoted arranged compound 1A2. Their in vitro cytotoxicity and potencies in EFGR inhibition study revealed that compound 1A displayed good antiproliferative activity in MDA-MB-231 (breast) cells with an IC50 value of 16.18±1.42 μM. Crystallization 1A2 affored 1A2a as a solvate with dichloromethane which was explicitly confirmed by the single crystal X-ray diffraction analysis.

Conceived and developed by Christopher Alexander through his life’s work: The Nature of Order, wholeness is defined as a mathematical structure of physical space in our surroundings. Yet, there was no mathematics, as Alexander admitted then, that was powerful enough to capture his notion of wholeness. Recently, a mathematical model of wholeness, together with its topological representation, has been developed that is capable of addressing not only why a space is good, but also how much goodness the space has. This paper develops a structural perspective on goodness of space – both large- and small-scale – in order to bridge two basic concepts of space and place through the very concept of wholeness. The wholeness provides a de facto recursive definition of goodness of space from a holistic and organic point of view. A space is good, genuinely and objectively, if its adjacent spaces are good, the larger space to which it belongs is good, and what is contained in the space is also good. Eventually, goodness of space – sustainability of space – is considered a matter of fact rather than of opinion under the new view of space: space is neither lifeless nor neutral, but a living structure capable of being more living or less living, or more sustainable or less sustainable. Under the new view of space, geography or architecture will become part of complexity science, not only for understanding complexity, but also for making and remaking complex or living structures.

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 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 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.

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

Nereis as a mudflat organism has a variety of uses, in the history of China as a Chinese herbal record, because of its body contains rich amino acids, fatty acids and other nutrients, it can be used for therapeutic treatment and treatment can also be used as health care products. acids, fatty acids and other nutrients, it can be used for therapeutic treatment and treatment can also be used as health care products. In modern times, more and more researchers have studied the protease extract of Nereis as a mudflat organism. In modern times, more and more researchers have studied the protease extracted from the body of nereis and found that there are a variety of functional proteins in nereis, including superoxide dismutase, superoxide dismutase, superoxide dismutase and superoxide dismutase. More and more researchers have studied the proteases extracted from the body of nereis and found that there are a variety of functional proteins in nereis, including superoxide dismutase, adenylate cyclase, glycosidase, and plasminase. In this paper, the functional proteases in the extracts of nereis were summarized, and the functions and characteristics of proteases in nereis were discussed from the perspective of molecular structure.

In this study, we investigate the magnetization behavior of coaxial nanowires fabricated through the sol-gel electrospinning method. Our analysis uncovers a significant reduction in coercivity for CoFe2O4 nanowires when BaTiO3 is used as the shell material, effectively transforming them from hard to soft magnetic. This intriguing behavior is attributed to the magnetization reversal effect at the interface between ferromagnetic and paramagnetic regions, and it is also observed in NiFe2O4 and Fe2O3 nanowires. Surprisingly, introducing a GdBa2Cu3O7 shell induces a similar effect. Additionally, we employ magnetic impedance measurements on the coaxial nanowires, unveiling their potential for magnetic field sensing applications.

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.

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.

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.

Weaving is an ancient and effective structural forming technique characterized by the ability to convert two-dimensional ribbons to three-dimensional structures. However, most 3D structures woven from straight ribbons have topological defects. Baek et al. proposed a method to weave smoother continuous 3D surface structures using naturally curved (in-plane) ribbons, obtained a new surface structure with relatively continuous variation of Gaussian curvature, and analyzed its geometric properties. We believe that this new 3D surface structure with smooth geometric properties must correspond to new mechanical properties. To this end, we investigated a 3D surface structure using naturally curved (in-plane) ribbon weaving, and the results of calculations and experiments show that such structures have better buckling stability than those woven with straight ribbons. It is observed that the number of ribbons influences the buckling behavior of different types of woven structures.

Fifty-two kinds of N’-phenylhydrazides were successfully designed and synthesized. Their anti-fungal activity in vitro against five strains of C. alb. was evaluated. All prepared compounds owned varying degrees of activity and their MIC80, TAI, and TSI values were calculated. The in-hibitory activities of 27/52 compounds against fluconazole-resistant fungi C. alb. 4395 and C. alb. 5272 were much higher than those of fluconazole. The MIC80 values of 14/52 compounds against fluconazole-resistant fungus C. alb. 5122 were less than 4 μg/mL, so it was the most sensitive fungus (TSIB = 12.0). A11 showed the highest inhibitory activity against C. alb. SC5314, 4395, and 5272. The antifungal activities of B14 and D5 against four strains of fluconazole-resistant fungi were higher than those of fluconazole. The TAI values of A11 (2.71), B14 (2.13), and D5 (2.25) are the highest. Further exploring the antifungal mechanism revealed that the fungus treated with compound A11 produced free radicals and reactive oxygen species, and their mycelium mor-phology was damaged. In conclusion, the hydrazide scaffold showed potential in the develop-ment of antifungal lead compounds. Among them, A11, B14, and D5 demonstrated particularly promising antifungal activity and hold potential as novel antifungal agents.

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.

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%.

Weaving technology can convert two-dimensional structures such as ribbons into three-dimensional structures by specific connections. However, most of the 3D structures fabricated by conventional weaving methods using straight ribbons have some topological defects. In order to obtain smoother continuous 3D surface structures, Baek et al. proposed a novel weaving method using naturally curved (in-plane) ribbons to fabricated three-dimensional curved structures and using this method to weave new spherical weave structures that are closer to perfect spheres. We believe that this new spherical weave structure with smooth geometric properties must correspond to new mechanical properties. To this end, we investigated the buckling characteristics of different types of spherical weave structures by the combination of test and finite element method. The results of calculations and experiments show that the failure mode of the spherical weave structure under vertical loading can be divided into two stages: a flat contact region forms between the spherical weave structure and the rigid plate and inward dimple of ribbons. The spherical weave structures using naturally curved (in-plane) ribbon weaving have better buckling stability than those woven with straight ribbons. The vertical buckling load of spherical weave structures using naturally curved ribbon increases with the width and thickness of the ribbon. In addition, this paper combines test, theoretical and finite element analysis to propose the buckling load equation and buckling correction factor equation for the new spherical weave structure under vertical compression load.

This paper presents a physical and mathematical model that has been developed in the framework of the approach used in the computational mechanics of materials. The model is designed to enable the study of the patterns of deformation and fracture of ceramic composites with a transformation-hardened matrix that are obtained by additive technologies at the mesoscopic and macroscopic levels under intense dynamic loading. The influence of the loading rate on the formation of the fracture and energy dissipation fronts for composite materials, based on the Al2O3 20%ZrO2 system, is shown. Nonlinear effects under intense dynamic loading in the considered composites are associated with the processes of self-organization of structural fragments at the mesoscopic level, as well as the occurrence of martensitic phase transformations in matrix volumes adjacent to the strengthening particles.

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.

Mechanical ventilation is a life-saving treatment for critically ill patients who are struggling to breathe independently due to injury or disease. Globally, large numbers of Individuals have always required mechanical ventilation per year. The Covid-19 pandemic elevated the significance of the mechanical ventilation which have played a significant role in sustaining Covid 19 infected critically ill patients who could not breathe on their own. The pandemic drew the attention of the world to the shortage of ventilators globally.This research work presents the formulation of a detailed Port Hamiltonian model of a mechanical ventilator integrated to the human respiratory system. The interconnection and coupling conditions for the various subsystem within the mechanical ventilator and the coupling between the mechanical ventilator and the human respiratory system is also presented.A structure preservation discretization is provided along side numerical simulations and results. The obtained results are found to be comparable to results presented in literature.The future work will include the design of suitable controllers for system.

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.

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.

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.

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.

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.

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

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

The concept of smart morphing blades, which can control themselves to reduce or eliminate the need for active control systems, is a highly attractive solution in blade technology. In this paper an innovative passive control system based on Shape Memory Alloys (SMAs) is proposed. On the basis of previous thermal and shape characterization of a single morphing blade for a heavy-duty automotive cooling axial fan, this study deals with the numerical analysis of the aerodynamic loads acting on the fan. By coupling CFD and FEM approaches it is possible to analyze the actual blade shape resulting from both the aerodynamic and centrifugal loads. The numerical results indicate that the polymeric blade structure ensures proper resistance and enables shape variation due to the action of the SMA strips.

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 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.

To date, Cartesian (x, y, z) coordinate system (CCS) has been the default approach to geometrically specify atomic spatial positions in protein structures since the launch of Protein Data Bank (PDB) in 1971. To this end, this paper proposes a local spherical coordinate system (SCS) approach as an alternative to the default approach and a previously reported global SCS approach. The local SCS approach here requires only two parameters (θ and φ), instead of x, y and z as required by the default CCS approach. Essentially, CCS and SCS are like the two sides of one coin, i.e., geometric coordinate system for three-dimensional position specification. Therefore, this paper furthermore argues that it is time to flip the coin over, and have a look at the other side of the coin, e.g., the local SCS approach, which possesses an intrinsically lower degree of descriptional complexity than that of the default CCS approach, and constitutes a potentially useful alternative perspective for all protein structural research field.

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.

This work shows the preliminary description of the origin of a sedimentary - exhalative outcrop of Jurassic Lower Pliensbachian. The location of this deposit was achieved by applying an examination based in the identification of sedimentary transgressions of heterochronies ages and the identification of a Rift – type mega –structure. According with the methodology, it was carried out a study of the discordant relationships between two types of sediments: continental and marine. According the characterization, it was noted the existence of light rare earths, in values that show positive anomalies in comparison with the distribution of elements in upper continental crust according to the Clarke [1], reflecting so a felsic affinity of the mineral deposit. Also, positive anomalies of platinum and Pd, were determined with marginal contents of Au and Ag; and finally the base metals Zn, Pb and Cu were detected in low contents, which could be due to the presence of altered shale. According to the sedimentary lithology found, which was of siliciclastic type; to the exhalative roots observed during the fieldwork; the presence of quartz minerals such as biotite and muscovite; the presence of minerals of hydrothermal remobilization like chalcopyrite with some base metals, altered shale, as well as sulfur deficiency; this mineral reservoir could be defined as a SEDEX – type.

Due to its large hole mobility, Organic Rubrene (C42H28) has attracted research questions on its applications in electronic devices. In this work, extensive first-principles calculations were made to predict some temperature and doping dependent properties of Organic Semi- conductor Rubrene. We use Density Functional Theory (DFT) to investigate the electronic structure, elastic and transport properties of the Orthorhombic phase of the Rubrene compound. The calcu- lated band structure shows the Orthorhombic phase has a direct bandgap of 1.26 eV. From the Vickers hardness (1.080 GPa), our calculations show that Orthorhombic Rubrene is not a super hard material and can find useful application as a flexible semicon- ductor. The calculated transport Inverse Effective Mass and Elec- tronic Fitness Function show that the Orthorhombic Rubrene Crystal Structure is a p-type thermoelectric material at high temperatures.

Abstract: Circuit breakers are affected by multiple lightning strikes after the breaker has been tripped and can break down again, which will reduce the life of the circuit breaker and threaten the stable operation of the power system. Aiming at this problem, the paper obtained the temperature diffusion process of the inrush current process of circuit breaker opening and breaking through the schlieren technique, and combined with the existing image recognition technology to obtain the temperature characteristics of the airflow in the air gap of the contact, and the characteristics of the airflow flow. The results of the study show that the circuit breaker breakdown process generates a shock wave with a velocity approximately equal to the speed of sound under the same conditions. The maximum velocity of the airflow boundary diffusion is about 1/4 of the speed of sound under the same condition, and it decays very fast, reducing to the airflow drift velocity within 10ms after breakdown. The maximum temperature of the thermals is concentrated between 6000 and 8000 K and the temperature change is approximately inversely proportional to the square of time. The research provides the basis for the design of circuit breaker contact structure, opening speed optimization method, interrupter chamber and insulation design optimization.

In our previous work, we demonstrated the potential of the amphiphilic cyclic peptide [W4R4] as a promising antimicrobial agent. The extensive data accumulated on the antimicrobial activity of this peptide and its homologs presented an opportunity to unravel the molecular mechanisms governing their action and establish crucial structure-activity relationships (SAR). To achieve this, we employed a comprehensive approach involving peptide synthesis, in vitro biological testing, and molecular modeling to systematically analyze the SAR of a series of cyclic peptides derived from the [W4R4] scaffold. Minimal modifications were introduced to the original peptide by incorporating either one aromatic hydrophobic residue (W) or one polar positively charged residue (R) while maintaining the sequential W/R arrangement. Additionally, we introduced an "intermediate" substitution by incorporating 2,5-diketopiperazine (DKP), possessing both aromatic and polar properties, into the macrocycle [W4R4] between the W and R residues. Notably, this study marked the first synthesis and evaluation of the [W4R4(DKP)] peptide. Structural, dynamic, hydrophobic, and membrane-binding properties of four cyclic peptides ([W4R4], [W5R4], [W4R5], [W4R4(DKP)]) were explored using molecular dynamics simulations within a DOPC/DOPG lipid bilayer that mimics the bacterial membrane. The results obtained revealed distinct SAR profiles for all peptides, enabling the establishment of correlations between their antimicrobial activity and structural/dynamic parameters. These parameters included the degree of conformational plasticity, the depth of immersion into the bi-layer, and the population of the membrane binding mode characterized by the embedding of the hydrophobic peptide pattern into the acyl chain region of lipids. In particular, the peptide [W4R5] exhibited an optimal "activity/binding to the bacterial membrane" pattern. This work highlights the significance of our multidisciplinary approach in efficiently deciphering finely regulated SAR profiles for a series of homologous peptides with diverse activities. Furthermore, this research provides a solid foundation for the rational design of novel antimicrobial peptides.

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.

In this paper, the lamellar structural evolution and microvoids variations of β-iPP during the processing of two different stretching methods, sequential biaxial stretching and simultaneous biaxial stretching, were investigated in detail. It was found that different stretching methods led to significantly different lamellae deformation modes, and the microporous membranes obtained from the simultaneous biaxial stretching exhibited better mechanical properties. For the sequential biaxial stretching, abundant coarse fibers originated from the tight accumulation of the lamellae parallel to the longitudinal stretching direction, whereas the lamellae perpendicular to the stretching direction were easily deformed and separated. Those coarse fibers were difficult to be separated to form micropores during the subsequent transverse stretching process, resulting in a poor micropores distribution. However, for the simultaneous biaxial stretching, the β crystal had the same deformation mode, that is, the lamellae distributed in different directions were all destroyed, forming abundant microvoids and little coarse fibers formation.

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

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.

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.

Thermal expansion of four alkaline-earth borates, namely Ca3B2O6 (0D), CaB2O4 (1D), Sr3B14O24 (2D) and CaB4O7 (3D), have been studied by in situ high-temperature powder X-ray diffraction (HTXRD). Strong anisotropy of thermal expansion is observed for the structures of Ca3B2O6 (0D) and CaB2O4 (1D) built up from BO3 triangles only: these borates exhibit the maximal expansion perpendicular to the BO3 plane, i.e. along the direction of weaker bonding in the crystal structure. Layered Sr3B14O24 (2D) and framework CaB4O7 (3D) built up from various B-O groups expand less anisotropically. Thermal properties of the studied compounds compared to the other alka-line-earth borates are summarized depending on the selected structural characteristics like anion dimensionality, residual charge per one polyhedron (BO3 BO4), cationic size, and structural com-plexity. For the first time these dependencies were established as an average for both types of polyhedra (triangle and tetrahedron) occurring in the same structure at the same time. The most common trends were identified for : (i) Melting temperature decreases as the dimensionality of the borate polyanion, and more precisely, as the residual charge per one polyhedron (triangle or tetrahedron) decreases; (ii) volumetric expansion decreases while the degree of anisotropy in-creases weakly when the residual charge decreases; (iii)both trends (i) and (ii) are most steady within borates built by the triangles only, while the borates built by both triangles and tetrahedra show a larger scatter in values.

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.

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.

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.

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.

The structure characterization of two new polysaccharides from Agrocybe aegerita (AA-P) and Hygrophorus olivaceoalbus (HO-P) by HPGPC, GC-MS, NMR and FT-IR indicated that AA-P was composed of Galactose, Glucose and Arabinose, in the ratio of 3:2:1. Its skeleton structure was consisted of (1→4)-Arap, (1→4,6)-Glup and (1→6)-Galp with one branched chain. The HO-P was consisted of mannose, galactose and glucose in a ratio of 1:1:2. Its skeleton structure was consisted of (1→6)-Galactose residues, (→1)-glucose residues, (1→4)-glucose residues and (1→4,6)-D-mannose residues. There were two branched chains connected to the main chain. AA-P and HO-P had the best stimulation effect on B cells and RAW264.7 cells, respectively, and could both mainly by impacting and reducing G0/G1 phase which lead to a significant proliferation of B cells, T cells and RAW264.7 cells. In addition, AA-P and HO-P could significantly promote the secretion of TNF-α from T cells, the secretion of IgA, IgD, IgE, IgG and IgM from B cells, and the secretion of TNF-α from RAW264.7 cells, but neither of them could impact the secretion of IL-1β from RAW264.7 cells.

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.

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.

Genetic variability in rice breeding program plays the very crucial role. It provides outstanding pool of superior alleles governing better agronomic and quality characters through association mapping. For the understanding of population structure and genetic relationship among the different rice lines is indispensable prior to setting of correlation among dynamic alleles and traits. In the present investigation, genetic diversity and population structure of 116 rice accessions by using 64 polymorphic SSR markers was targeted for the evaluation of the genetic relatedness and diversity. Genotyping assessment based on SSR markers revealed a total of 225 alleles, with an average PIC value of 0.755. The germplasm lines were classified into three distinct subgroups through population structure analysis, utilizing both model and distance-based approaches. AMOVA analysis showed that 11% of the total variation could be attributed to differences between groups, while the remaining 89% of the variation was likely due to differences within groups. The study suggests that the population structure and genetic relatedness should be considered when working with the core collection of 116 rice germplasm lines for association mapping, aiming to establish marker-trait associations.

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.

The aminoglycoside 6′-N-acetyltransferase type Ib [AAC(6′)-Ib] is a common cause of resistance to amikacin and other aminoglycosides in Gram-negatives. Utilization of mixture-based combinatorial libraries and application of the positional scanning strategy identified an inhibitor of AAC(6′)-Ib. This inhibitor’s chemical structure consists of a pyrrolidine pentamine scaffold substituted at four locations (R1, R3, R4, and R5). The substituents are two S-phenyl (R1 and R4), an S-hydroxymethyl (R3), and a 3-phenylbutyl (R5) groups. Another location, R2, does not have a substitution, but it is named because its stereochemistry was modified in some compounds utilized in this study. Structure-activity relationship (SAR) analysis using derivatives with different functionalities, modified stereochemistry, and truncations were carried out by assessing the effect of the addition of each compound at 8 µM to 16 µg/ml amikacin-containing media and performing checkerboard assays varying the concentrations of the inhibitor analogs and the antibiotic. The results showed that: 1) the aromatic functionalities at R1 and R4 are essential, but the stereochemistry is essential only at R4, 2) the stereochemical conformation at R2 is critical, 3) the hydroxyl moiety at R3 as well as stereoconformation are required for full inhibitory activity, 4) the phenyl functionality at R5 is not essential and can be replaced by aliphatic groups, 5) the location of the phenyl group on the butyl carbon chain at R5 is not essential, 6) the length of the aliphatic chain at R5 is not critical, 7) all truncations of the scaffold resulted in inactive compounds. Molecular docking revealed that all compounds preferentially bind to the kanamycin C binding cavity, and binding affinity correlates with the experimental data for most of the compounds evaluated. The SAR results in this study will serve as the basis for the design of new analogs in an effort to improve their ability to induce phenotypic conversion to susceptibility in amikacin-resistant pathogens.

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 study investigates the failure of a roof with steel truss construction of a factory building in Tekirdag in North-western part of Turkey. The failure occurred under hefty weather conditions including thunderbolt, lightning strikes, heavy rain and fierce winds. In order to interpret the reason for the failure, the effects of different combinations of factors on the design and dimensioning of the roof are checked. Therefore, finite element analysis is performed several times under different assumptions and considering different factors aiming to determine the dominant ones that are responsible for the failure using the commercial software Abaqus (Dassault Systèmes, Vélizy-Villacoublay, France). Each loading condition gives out a characteristic form of failure. The scenario with the most similar form of failure to the real collapse is considered as the most likely scenario of failure. Also, the factors included in this scenario are expected to be the responsible factors for the partial collapse of the steel truss structure.

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.

Polymer hydrogels are 3D networks consisting of hydrophilic crosslinked macromolecular chains, able to swell and retain water. Since their invention in the 1960s, they have become an outstanding pillar in the design, development, and application of engineered polymer systems suitable for biomedical and pharmaceutical applications (such as drug or cell delivery, regeneration of hard and soft tissues, wound healing, and bleeding prevention, among others). Despite several well-established synthetic routes of polymer hydrogels based on batch polymerization techniques, about fifteen years ago academia started to look for alternative methods involving simpler reaction paths, shorter reaction times, and lower energy consumption. In this context, frontal polymerization (FP) undoubtedly has become an alternative and efficient reaction model that allows for converting monomers into polymers via a localized and propagating reaction, by exploiting the formation and propagation of a “hot” polymerization front, able to self-sustain and propagate throughout the monomeric mixture. Therefore, the present work aims to summarize the main research outcomes, achieved during the last years, concerning the design, preparation, and application of FP-derived polymeric hydrogels, demonstrating the feasibility of this technique for the obtainment of functional 3D networks, and providing the reader with some perspectives for the forthcoming years.

A review is given of the experimental values of the magnetic hyperfine structure and the Bohr-Weisskopf effect in muonic atoms. The need for more measurements and systematic calculations is discussed in the light of distinguishing between different models of the Bohr-Weisskopf effect in nuclei.

This paper describes some neural representations that may be helpful for realising intelligence in the human brain. The ideas come from the author's own cognitive model, where a number of algorithms have been developed over time. Through developing and trying to implement the architecture, ideas like separating the data from the function have become architecturally appropriate and there have been several opportunities to make the system more orthogonal. Similarly for the human brain, neural structures may work in-sync with the neural functions, or may be slightly separate from them. Each section discusses one of the neural assemblies with a potential functional result, that cover ideas such as timing or scheduling, inherent intelligence and neural binding. Another aspect of self-representation or expression is interesting and may help the brain to realise higher-level functionality based on these lower-level processes.

The reaction of [Co2(CO)8] with an equimolar amount of P(OPh)3] in toluene solution yields in situ generated [Co2(CO)7{P(OPh)3}] 1. Subsequent heating of 1 provides in a condensation reaction an alternative synthetic access to the tetranuclear cluster [{Co4(μ2-CO)3(CO)8{P(OPh)3}] 2. Compound 2 has been characterized by IR and 31P NMR spectroscopy, the tetranuclear cluster framework has be ascertained by a single-crystal X-ray diffraction study performed at 100 K.

Sterile alpha motif domain-containing protein 9 (SAMD9) is a regulatory protein centrally involved in cell proliferation and apoptosis. Mapped to 7p21.1, variants in SAMD9 have been reported in <50 pediatric cases worldwide, typically with early lethality. Germline gain-of-function SAMD9 variants are associated with MIRAGE Syndrome (myelodysplasia, infection, restricted growth, adrenal hypoplasia, genital anomalies, and enteropathy). Spalt like transcription factor 1 (SALL1) is a zinc finger transcriptional repressor located at 16q12.1 where only two transcript variants in SALL1 are known. RUNX2 (6p21.1) encodes a nuclear protein with a Runt DNA-binding domain critical for osteoblastic differentiation, skeletal morphogenesis, and serves as a scaffold for nucleic acids and regulatory factors involved in skeletal gene expression. RUNX2 and SALL1 are thus both ‘master regulators’ of tissue organization and embryo development. Here, we describe exome sequencing and copy number variants in two previously unknown mutations—R824Q in SAMD9, and Q253H in SALL1. A new multiexon 3’ terminal duplication in RUNX2 is also reported. This is the first known phenotype characterization for the intersection of all three variants in a healthy 46,XX adult. Focusing on developmental progress, ultrastructural renal anatomy, and selected reproductive aspects, we describe this unique genotype diagnosed incidentally during Covid-19 illness. Individual disruption in SAMD9, RUNX2, or SALL1 would be expected to give a bleak prognosis. However, the convergence discovered here appears to dampen severe pathology, perhaps by cross-gene silencing of effects normally deleterious when such changes occur alone.

Tree biomass and diversity relationship in mixed forest impacts on forest ecosystem services provisions. Tree biomass yield is driven by several aspects such as species identity, site condition, stand density, tree age as well as tree diversity expressed as species mingling and structural diversity. By comparing diverse degrees of tree mixture in natural forests we can insight on the ecosystem services provision level and dynamic. Two monitoring sites in the Castilian Northern Plateau (Spain) have been analyzed to disentangle the relationships between biodiversity levels and tree biomass yield. Two permanent one ha squared plots were established at Llano de San Marugan and Valdepoza. In each plot all individual trees were measured (diameter and height), georeferenced and its species identity defined. Tree species in the two sites were Pinus sylvestris, Pinus nigra, Pinus pinea, Quercus pyrenaica, Quercus ilex, Quercus faginea and Juniperus thurifera. From these datasets ten diversity indices that fall in three categories (species richness indices, species compositional/mingling indices and vertical structural indices) were used as predictor variables to fit several candidate models. By merging the trees by site (without considering the species identity) selected models include individual tree basal area as explanatory variable combining by addition or interaction with diversity indices. When species are analyzed independently structural diversity impacts on biomass yield in combination (additive or multiplicative) with tree size is negative Pinus nigra and positive for the other species.