Swirling coal flames are encountered in swirl burners of boiler furnaces and cyclone coal combustors, and were studied using large-eddy simulation (LES) in reported references. However, the structures of swirling coal flames remain to be further studied. In the present paper LES of swirling coal flames is conducted for two combustors using two gas combustion models. The statistical simulation results are accessed by experiments and the instantaneous simulation results are used to analyze the specific features of flame structures of four cases. It is seen that different inlet flow conditions and different secondary-air flow rate lead to different flame structures

Three new cembranoids (1–3) and a new casbanoid (4), along with three known analogues (5–7), have been isolated from the soft coral Sinularia nanolobata collected off Ximao Island. The structures including the absolute configurations of new compounds were established by extensive spectro-scopic data analysis, time-dependent density functional theory/electronic circular dichroism (TDDFT-ECD) calculations and the comparison with spectroscopic data of known compounds. In in vitro bioassay, compounds 1 and 5 exhibited moderate cytotoxic activities against human erythroleukemia (HEL) cells line with IC50 values of 37.1 and 42.4 uM, respectively.

Changes in the atomic and electronic structure of silicon carbide 3C-SiC (β-SiC), resulting from lead adsorption, have been studied within the density functional theory. The tests were conducted for three representative surfaces with varying degrees of lead coverage. Results indicate that chemisorption occurs, with the strongest binding, found on the hexagonal surface (111) in interaction with three dangling bonds. The adsorption energy rises with increasing coverage, especially as the surface approaches saturation. Analysis of the data was focused on parameters important for corrosion processes such as bond distances, binding energies, Bader charges and charge density difference.

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.

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

Models with age as a variable but actual dynamics invariant under age structure allow use of MaxEnt to predict uniform age structure. Interpretations include a major role for accepting randomness as a causal principle in ecology (in the face of ignorance, in a further interpretative stance).

Chromatin structure plays a fundamental role in regulating gene expression, with histone modifiers shaping the structure of chromatin by adding or removing chemical changes to his-tone proteins. The p53 transcription factor controls gene expression, binds target genes, and regulates their activity. While p53 has been extensively investigated in the context of cancer research, its association with histone modifiers has received limited attention. This review ex-plores the interplay between histone modifiers and p53 in regulating gene expression. We discussed how histone modifications can influence how p53 binds to target genes and how this interplay can be disrupted in cancer cells. This study provides insights into the complex mechanisms underlying gene regulation and their implications for potential cancer therapy.

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.

The state of knowledge of properties of the Andromeda Galaxy (also known as M31) is reviewed. The spatial structure of the Andromeda Galaxy, its main source populations and the properties of its gas and dust are discussed. To understand the formation history of the Andromeda Galaxy, the critical issues of its star formation history and the gas streams and dwarf galaxies in its surrounding environment are reviewed. Emphasis is on recent studies with important earlier work described in the references provided here. It is important to understand the Andromeda Galaxy because it is the nearest large external galaxy and is close enough for high resolution studies. This allows the Andromeda Galaxy to be used as a template to understand more distant and less resolved galaxies in the universe.

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.

This work presents an LC resonant passive wireless gas sensor with a novel structure designed to mitigate the negative impact of substrate. The LC sensor antenna with the new structure and the reader antenna were designed and optimized utilizing HFSS software to improve the transfer efficiency. The superiority of the designed structure compared with the general ones is highlighted and verified. The change in the substrate capacitance has essentially no interference with the parameters to be measured of the LC sensor. The sensor with the new structure was prepared by combining etching and sputtering methods. The structure of the ZnO nanowires (NWs) was characterized to confirm their high purity and wurtzite crystal structure. The LC gas sensors demonstrated excellent wireless sensing performance including a low detection limit of 0.5 ppm NO2, high response of 1.058 and outstanding stability at 180 °C. The developed new sensor structure not only prevented interference from the substrate during gas sensing testing, but also expanded the choice of sensor substrates, playing a critical role in the development of sensors based on LC resonance principle.

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

Blast, caused by Magnaporthe oryzae, is one of the most destructive diseases affecting rice production. Understanding population dynamics of the pathogen avirulence genes is pre-required for breeding and then deploying new cultivars carrying promising resistance genes. The divergence and population structure of AvrPii was dissected in the populations of southern (Guangdong, Hunan, and Guizhou) and northern (Jilin, Liaoning, and Heilongjiang) China, via population genetic and evolutionary approaches. The evolutionary divergence between a known haplotype AvrPii-J and a novel one AvrPii-C was demonstrated by haplotype-specific amplicon-based sequencing and genetic transformation. The different avirulent performances of a set of seven haplotype-chimeric mutants suggested that the integrity of the full-length gene structures is crucial to express functionality of individual haplotypes. The population structure of the AvrPii family was shaped by balancing, purifying, and positive selection pressures in the Chinese populations. The AvrPii-J was recognized as the wild type that emerged before rice domestication. Considering higher frequencies of avirulent isolates were detected in Hunan, Guizhou, and Liaoning, the cognate resistance gene Pii could be continuously served as a basic and critical resistance resource in such regions. The unique population structures of the AvrPii family found in China have significant implications for understanding how the AvrPii family has kept an artful balance and purify among its members (haplotypes) those keenly interact with the cognate resistance gene under gene-for-gene relationships.

The number of applications for nanobodies is steadily expanding, positioning these molecules as fast-growing biologic products in the biotechnology market. Several of their applications require protein engineering, which in turn would greatly benefit from having a reliable structural model of the nanobody of interest. However, as with antibodies, structural modeling of nanobodies is still a challenge. With the rise of artificial intelligence (AI), several methods have been developed in recent years that attempt to solve the problem of protein modeling. In this study, we have compared the performance in nanobody modeling of several state-of-the-art AI-based programs, either designed for general protein modeling, such as AlphaFold2, OmegaFold, ESMFold and Yang-Server, or specifically designed for antibody modeling, such as IgFold, and Nanonet. While all these programs performed rather well in constructing the nanobody framework and CDRs 1 and 2, modeling of CDR3 sill represents a big challenge. Interestingly, tailoring an AI method for antibody modeling does not necessarily translate into better results for nanobodies.

This study assessed the literature about the use of high tunnels (HTs) in agricultural systems in the United States since the 2009 launch of the Natural Resources Conservation Service (NRCS) High Tunnel Initiative. This NRCS program led to an increase in HT adoption nationwide. The literature searches were conducted using the Web of Science (WoS) database. The final sample was 133 peer-reviewed articles published between 2009 and February 2023. We used CiteSpace 6.2.R1 and Gephi 0.9.2 to conduct co-citation, co-author, co-institution, and clustering techniques. The findings showed that the peer-reviewed literature about HT use has increased since 2009, substantially rising between 2017 and 2021. Horticulture was the top subject category in the literature, and most articles were published in peer-reviewed journals of the American Society for Horticultural Science (i.e., HortTechnology and HortScience). The research field evolved from general HT practices, nutrient management, and plant pathology to focus on trials of specific crops and integrated pest management. The institutions with the most contributions to the HT literature were Kansas State University, the University of Florida, Michigan State University, Purdue University, and the University of Minnesota. The patterns of HT research revealed in this study offer a greater understanding of the current state of knowledge to inform the focus of future research.

The estimation of the efficiency of road transport vehicles remains a significant problem for contemporary transport companies, as the technological process is influenced by numerous stochastic impacts, such as demand stochasticity, road conditions uncertainty, transport market fluctuations, etc. To consider the uncertainty related to the estimation of the vehicles’ fleet efficiency, we propose a fuzzy-logic approach, where the efficiency of a given vehicle is described by a membership function. The efficiency of the whole fleet and its rational structure in that case can be evaluated as a fuzzy set. To demonstrate the developed approach, we depict a case study of using cargo vehicles for deliveries of agricultural products in the Republic of Kazakhstan. The numeric results are presented for the selected models of vehicles that a transport company uses to service a set of clients located in Northern Kazakhstan.

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 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.

In order to investigate the coordination chemistry of O-alkyl N-aryl thiocarbamate ligands, BiI3 has been reacted with two equivalents of MeOC(=S)N(H)Ph in MeCN solution to afford the dinuclear title compound complexes [{I2Bi(μ2-I)2BiI2}{1-MeOC(=S)N(H)Ph}4] 1. Compound 1 has been characterized by IR, UV and NMR spectroscopy, the dinuclear framework has be ascertained by a single-crystal X-ray diffraction study performed at 100 K.

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.

Tumour spheroids are fast becoming commonplace in basic cancer research and drug development. Obtaining high-quality data relating to the inner structure of spheroids is important for analysis, yet existing techniques often use equipment that is not commonly available, are expensive, laborious, cause significant size distortion, or are limited to relatively small spheroids. We present a high-throughput method of mounting, clearing, and imaging tumour spheroids that causes minimal size distortion. Spheroids are mounted in an agarose gel to prevent movement, cleared using a solution prepared from commonly available materials, and imaged using confocal microscopy. We find that our method yields high quality two- and three-dimensional images that provide information about the inner structure of spheroids.

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.

The provenance of the aminoacyl-tRNA synthetases (aaRS) poses challenging questions because of their role in the emergence and evolution of genetic coding. We investigate evidence about their ancestry from curated structure-based multiple sequence alignments of a structurally invariant “scaffold” shared by all 10 canonical Class I aaRS. Three uncorrelated phylogenetic metrics—residue-by-residue conservation, its variance, and row-by-row cladistic congruence—imply that the Class I scaffold is a mosaic assembled from distinct, successive genetic sources. These data are especially significant in light of: (i) experimental fragmentations of the Class I scaffold into three partitions that retain catalytic activities in proportion to their length; and (ii) evidence that two of these partitions arose from an ancestral Class I aaRS gene encoding a Class II ancestor in frame on the opposite strand. Phylogenetic metrics of different modules vary in accordance with their presumed functionality. A 46-residue Class I “protozyme” roots the Class I molecular tree prior to the adaptive radiation of the Rossmann dinucleotide binding fold that refined substrate discrimination. Such rooting is consistent with near simultaneous emergence of genetic coding and the origin of the proteome, resolving a conundrum posed by previous inferences that Class I aaRS evolved long after the genetic code had been implemented in an RNA world. Further, pinpointing discontinuous enhancements of aaRS fidelity establishes a timeline for the growth of coding from a binary amino acid alphabet.

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

The biomimetic design of engineering structures is based on biological structures with excellent mechanical properties, which are the result of billions of years of evolution. However, current biomimetic structures, such as ordered lattice materials, are still inferior to many biological materials in terms of structural complexity and mechanical properties. For example, the structure of \textit{Euplectella aspergillum}, a type of deep-sea glass sponge, is an eye-catching source of inspiration for biomimetic design; however, guided by scientific theory, how to engineer structures surpassing the mechanical properties of \textit{E. aspergillum} remains an unsolved problem. The lattice structure of the skeleton of \textit{E. aspergillum} consists of vertically, horizontally, and diagonally oriented struts, which provide superior strength and flexural resistance compared with the conventional square lattice structure. Herein, the structure of \textit{E. aspergillum} was investigated in detail, and by using the theory of elasticity, a lattice structure inspired by the bionic structure was proposed. The mechanical properties of the sponge-inspired lattice structure surpassed the sponge structure under a variety of loading conditions, and the excellent performance of this configuration was verified experimentally. The proposed lattice structure can greatly improve the mechanical properties of engineering structures, and it improves strength without much redundancy of material. This study achieved the first surpassing of the mechanical properties of an existing sponge-mimicking design. This design can be applied to lattice structures, truss systems, and metamaterial cells.

Waxy rice is one of the most popular traditional crops served as a staple food in China. In this study, the effect of different factors including α-amylase activity, protein, and amylopectin structure on the pasting properties of four waxy rice varieties were investigated. Rice flours treated with AgNO3 solution, DL-dithiothreitol (DTT) or protease, suggested that both α-amylase activity and protein significantly decrease the pasting viscosity of waxy rice flours. Chain length distribution of amylopectin as measured by high performance ion exchange chromatography (HPAEC-PAD) showed that starch with higher ratio of short chain leading to a higher pasting viscosity. X-Ray diffractograms showed that the crystal type of all the four varieties of rice starches were characteristic A-type. Relative crystallinity of each rice starch was further calculated, and a higher crystallization resulted in a higher viscosity. Our study would provide a fundamental knowledge of the relationship between different factors and waxy starch pasting properties, as well as be a reference for controlling the quality of waxy rice starch-based food.

Kininogens are multidomain glycoproteins found in the blood of most vertebrates. They are important in the blood coagulation cascade pathways - in intrinsic pathway activation leading to thrombin generation partially independently from tissue factor dependent extrinsic pathway, connecting blood coagulation with the kallikrein-kinin system. Nothing is known about the shape on atomic level therefore the endeavor to obtain the good-quality spatial structure of kininogens is important for a better understanding of their role in disease and treatment. Application of cryo-EM is important for solving the spatial structure of kininogens, drawing new frontiers in understanding the function and opening new pathways for drug development.

Various kinds of primary metabolisms in plants are modulated through sulfate assimilation that the uptake of this inorganic compound can be regulated via the sulfate transporters, such as sulfotransfer-ases (SOTs), engaged in the sulfur metabolism. In the current study a genome-wide approach has been utilized for recognition and characterization of SOT family genes in the significant nutritional crop po-tato (Solanum tuberosum L.). As a result, 29 StSOT genes were identified in the potato genome, which were mapped onto the nine S. tuberosum chromosomes. The protein motifs structure demonstrated two highly conserved 5' PSB region and 3' PB motif that are essential for sulfotransferase and catalytic ac-tivities. The protein-protein interaction networks also significantly demonstrated an interesting collabo-ration between SOTs and the other genes, such as PRTase, APS-kinase, protein phosphatase and APRs, in sulfur compounds biosynthesis and regulation of the flavonoid and brassinosteroid metabolic pro-cesses, which clearly detected the importance of sulfotransferases for potato proper growth/development and stress dealing. Notably, the homology modeling of StSOT proteins and dock-ing analysis of their ligand-binding sites revealed the presence of some stress-responsive residues, such as proline, glycine, serine and lysine, in their active sites. The expression assay of StSOT genes via the potato RNA-seq data clearly suggested the engagements of these gene family members in plants growth and extension as well as responses to various hormones and biotic/abiotic stimulus circum-stances. Our predictions can be informative for the functional characterization of the SOT genes in po-tato and may the other nutritional crops.

Low-energy Coulomb excitation is capable of providing unique information on static electromagnetic moments of short-lived excited nuclear states, including non-yrast states. The process selectively populates low-lying collective states and is therefore ideally suited to study phenomena such as shape coexistence and development of exotic deformation (triaxial or octupole shapes). Historically, these experiments were restricted to stable isotopes. However, the advent of new facilities providing intense beams of short-lived radioactive species has opened the possibility to apply this powerful technique to a much wider range of nuclei. We discuss the observables that can be measured in a Coulomb-excitation experiment, their relation to nuclear structure parameters with an emphasis on the nuclear shape, and present some recent examples of Coulomb-excitation studies that provided outcomes relevant for the Shell Model.

Alphaviruses are arboviruses that cause arthritis and encephalitis in humans. Eastern Equine Encephalitis Virus (EEEV) is a mosquito transmitted alphavirus that is implicated in severe encephalitis in humans with high mortality. However, limited insights are available into its fundamental biology of EEEV and residue-level details of its interactions with host proteins. In recent years, outbreaks of EEEV have been reported mainly in the United States, raising concerns about public safety. This review article summarizes recent advances in the structural biology of EEEV based mainly on recent single particle cryogenic electron microscopy (cryoEM) structures. Together with functional analyses of EEEV and related alphaviruses, these structural investigations provide clues to how EEEV interacts with host proteins, which may open avenues for the development of therapeutics.

Based on surveys of winter roost sites, the eastern migratory population of the monarch butterfly (Danaus plexippus) in North America appears to have declined in the last 20 years and this has prompted the implementation of numerous conservation strategies. However, there is little information on the survivorship of first-generation monarchs in the core area of occupancy in Texas, Oklahoma, and Louisiana where overwinter population recovery begins. The purpose of this study was to determine the survivorship of first-generation eggs to third instars at a site in north Texas and to evaluate host plant arthropods for their effect on survivorship. Survivorship to third instar averaged 13.4% and varied from 11.7% to 15.6% over three years. The host plants harbored 77 arthropod taxa, including 27 predatory taxa. Despite their abundance, neither predator abundance nor predator richness predicted monarch survival. However, host plants upon which monarchs survived often harbored higher numbers of non-predatory arthropod taxa and more individuals of non-predatory taxa. These results suggest that ecological processes may have buffered the effects of predators and improved monarch survival in our study. The creation of diverse functional arthropod communities should be considered for effective monarch conservation, particularly in southern latitudes.

One of the most important parameters that characterize the traction-coupling properties of a wheeled tractor is its slip. The more tractor's gross traction, the higher its traction-coupling properties. But, this gross traction should not exceed its maximum possible value, which, in turn out, is to be determined by the maximum permissible slip. This article provides the equation to calculate this crucial parameter and establishes the dependencies between the tractor's slip and soil structure coefficient. It was shown that the value basically depends on such soil characteristics as the bulk deformation coefficient and the coefficient of rolling resistance. Calculations showed that for the average value of the soil bulk deformation coefficient at, the average value of rolling resistance coefficient at 0.16, the ratio value of the maximum permissible soil pressure to the tractor wheel rolling radius at the maximum permitted amount slip of the tractor wheels should not exceed 15%. With more slip, the soil structure deteriorates significantly. In this case, its structure coefficient may be less than critical, equal to 0.4.

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

Inteins are prevalent among extremophiles. Mini-inteins with robust splicing properties are of particular interest for biotechnological applications due to their small size. However, biochemical and structural characterization has still been limited to a small number of inteins, and only a few inteins serve as widely used tools in protein engineering approaches. We determined the crystal structure of a naturally-occurring Pol-II mini-intein from Pyrococcus horikoshii and compared it with two other natural mini-inteins from Pyrococcus horikoshii. Despite the similar sizes, the comparison revealed distinct differences in insertions and deletions, implying specific evolutionary pathways from distinct ancestral origins. Our studies suggest that sporadically distributed mini-inteins might be more promising for further protein engineering applications than the highly conserved mini-inteins. Structural investigations of more inteins could guide the shortest path to finding novel robust mini-inteins suitable for protein engineering purposes.

Although the presence of dark energy is well established from various observations, its true nature is still not well understood. The cosmological constant term seems to be the preferred candidate. In earlier work we had a constant cosmological constant term to limit the sizes of large-scale structures at lower redshifts. In this work, we extend this to large scale structures at higher redshifts. Here we invoke a time varying cosmological constant to set constraints on sizes of galaxies at high redshifts and see that they are consistent with their observed sizes. The time-varying cosmological constant also provides a possible solution to the puzzle of structure formation of large disk galaxies (like the Wolfe disk) observed at very early stages of the Universe. Future observations of galaxies at even higher redshifts could support our approach.

This paper analyzes the political and economic changes in the world after the drastic changes in eastern Europe, starting with Chinese President Xi Jinping's viewpoint "the biggest change in a century". Also, the new international situation and new development in the post-epidemic as well as the development path and direction of China in the post-epidemicera are expected.

Gauge fields control the dynamics of fermions, also a back reaction of fermions on the gauge field is expected. This back reaction is investigated within the vortex picture of the QCD vacuum. We show that the center vortex model reproduces the string tension of the full theory also with the presence of fermionic fields.

Calcineurin B-like proteins (CBL)-interacting protein kinases (CIPKs) by interacting with CBLs regulate developmental processes, hormone signalling transduction and mediate stress responses in plants. Although the genome of chickpea is available, information of CIPK gene family has been missing in chickpea. Here, a total of 22 CIPK encoding genes were identified in chickpea and characterized by in silico methods. We found a high structural conservation in chickpea CIPK family. Our analysis showed that chickpea CIPKs have evolved with dicots from common ancestors, and extensive gene duplication events have played an important role in evolution and expansion of CIPK family in chickpea. Most chickpea CIPK proteins localize in cytoplasm and nucleus. Promoter analysis revealed various cis-regulatory elements related to plant development, hormone signaling and abiotic stresses. Expression analysis indicated that CIPKs are significantly expressed in a spectrum of developmental stages, tissue/organs that hinted their important role in plant development. Several CIPK genes had specific and overlapping expressions in different abiotic stresses and seed development stages, suggesting the important role of CIPK family in abiotic stress signaling, and seed development in chickpea. Thus, this study provides the avenue for detailed functional characterization of CIPK family in chickpea and other legume crops.

New analysis regarding the structure of center vortices and their color structure is presented: Using data from gluonic SU(2) lattice simulation with Wilson action a correlation of fluctuations in color space to curvature of vortex fluxes was found. Finite size effects of the S2-homogeneity hint at color homogeneous regions on the vortex surface.

The aim of this study was to identify MFIs specific determinants of capital structure of selected micro finance institutions in Ethiopia. The researcher employed quantitative research approach with explanatory research design. The result of regression analysis showed that out that variables like growth, profitability, firm size, age, and asset tangibility have positive and statistically significant effect on leverage ratio. Whereas, profitability has statistically significant and negative effect on capital structure. Based on the findings of the study, the researcher concluded that the firm specific determinants of capital structure of micro finance institutions in Ethiopia were growth, profitability, firm size, age, and asset tangibility.

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

The objective of this study were to conduct association mapping for drought tolerance at the seedling stage and yield-related traits. 60 cowpea accessions were used in the study. Single-nucleotide polymorphisms (SNPs) discovered through genotyping by sequencing (GBS) were used for genotyping. Association mapping was conducted using single-marker regression (SMR) in Q Gene, and general linear model (GLM) and mixed linear model (MLM) built in TASSEL. The population of the cowpea accessions were analysed using STRUCTURE 2.3.4 and the peak of delta K in the greenhouse showed seven population types, whereas the peak of delta K in the glasshouse indicated the presence of six population types. One SNP marker, 14083649|F|0-9 was associated with NP with a p value <0.001. Fifty SNP markers were associated with PWT at p <0.001. Four SNP markers, 14074781|F|0-16, 100047392|F|0-36, 14083801|F|0-28 and 100051488|F|0-49 were associated with AVSPD at p <0.001. SNP markers, 14074781|F|0-16, 14083801|F|0-28 and 100051488|F|0-49 were associated with PL at P <0.001. Five SNP markers, 100047392|F|0-36, 14083801|F|0-28, 100072738|F|0-34, 14076881|F|0-49 and 14076881|F|0-49 were associated with PWDTH at p <0.001. The 65 SNP markers identified can be used in cowpea molecular breeding to select for AVSPD, NP, PL, PWDTH, PWT, and RR through marker assisted selection (MAS).

The unfolded band structure and optical properties of Cu-doped KCl crystals were computed by first principles within the framework of density functional theory, implemented in the ABINIT electronic structure package utilizing pseudopotential approximation and a plane-wave basis set. From a theoretical point of view, Cu substitution into pristine KCl crystals requires calculation by the supercell (SC) method. This procedure shrinks the Brillouin zone, resulting in a folded band structure that is difficult to interpret. To solve this problem and gain insight into the effect of copper ions (Cu+) on electronic properties, the band structure of SC KCl:Cu was unfolded to make a direct comparison with the band structure of the primitive cell (PC) of pristine KCl. To understand the effect of Cu substitution on optical absorption, we calculated the imaginary part of the dielectric function of KCl:Cu through a sum-over-states formalism and broke it down into different band contributions by partially making an iterated cumulative sum (ICS) of selected valence and conduction bands. Consequently, we identified those interband transitions that give rise to the absorption peaks due to the Cu+ ion. These transitions involve valence and conduction bands formed by the Cu-3d and Cu-4s electronic states

Our understanding and theoretical interpretation of observations in astrophysics and cosmology depends on our knowledge of the fundamental constants and their possible dependence on time and space. Atomic spectroscopy and radio astronomy give important information on the validity and stability of the fundamental constants. The possible dependence of the fine structure constant alpha on time and spatial direction is an active topic of research.Period doubling is a universal property of nonlinear dynamical systems, and the doubling is exact in principle. The value of the elementary charge squared can be calculated by the period doubling process from the Planck charge and thereby the value of alpha.If ‘old’ and ‘new’ electrons are identical, then the Planck charge, i.e. a set of natural constants, has remained constant over time. In this article we show that the value of alpha calculated from the Planck charge is 0.007 % smaller than the current accepted value of alpha.

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.

Storing scientific data on the file system in a meaningful and transparent way is no trivial task. In particular when the data have to be accessed after their originator has left the lab the importance of a standardized file structure cannot be underestimated. It is desirable to have a structure that allows for the unique categorization of all kinds of data from experimental results to publications. It has to be accessible to a broad variety of workflows, e.g., via graphical user interface as well as via command line, in order to find widespread acceptance. Furthermore, the inclusion of already existing data has to be as simple as possible. We propose a three-level structure to organize and store scientific data that incorporates the full chain of scientific data management from data acquisition to analysis to publications. Metadata are saved in a standardized way and connect original data to analyses and publication as well as to their originators. A simple software tool to check a file structure for compliance with the proposed structure is presented.

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.

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 Japanese city presents a certain number of peculiarities in the organization of its physical space (weak zoning regulations, fast piecemeal destruction/reconstruction of buildings and blocks, high compacity, incremental reorganization). Compared to countries where urban fabrics are more perennial and easily distinguishable (old centers, modern planned projects, residential areas, etc.), in Japanese metropolitan areas we often observe higher heterogeneity and more complex spatial patterns. Even within such a model, it should be possible to recognize the internal organization of the physical city. The aim of this paper is thus to study the spatial structure of the contemporary Japanese city, generalizing on the case study of Osaka and Kobe. In order to achieve this goal, we will need to identify urban forms at different local scales (building types, urban fabrics) and to analyze them at a wider scale to delineate morphological regions and their structuring of the overall layout of the contemporary Japanese city. Several analytical protocols are used together with field observations and literature. The results, and more particularly the building and urban fabrics types and their location within the Osaka-Kobe metropolitan area, are interpreted in the light of Japanese history and model of urbanization. A synoptic graphical model of an urban morphological structure based upon Osaka is produced and proposed as an interpretative pattern for the Japanese metropolitan city in general.

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 effect of divergence of chute sidewalls with three different baffle block geometries namely USBR, trihedral and semicircular blocks, as well as the depth and dimensions of the scour hole downstream of the chute were studied using a physical model. For this purpose, 9 models of baffled chutes were designed and constructed with divergence ratios of 1.45, 1.75, and 2.45 and without divergence (with a divergence ratio of 1). Comparing the results on the effect of block geometry at different divergence ratios revealed that the use of blocks proposed in this study instead of standard USBR blocks reduced the mean and maximum scour hole by 50%. For a given block geometry, the mean depth, maximum depth, and length of scour hole were reduced by 75%, 58%, and 50%, respectively.

The potential to affect gene expression via G-quadruplex stabilization has been extended to all domains of life, including viruses. Here, we investigate the polymorphism and structures of G-quadruplexes of the human papillomavirus type 52 with UV, CD and NMR spectroscopy and gel electrophoresis. We show that oligonucleotide with five G-tracts folds into several structures and that naturally occurring single nucleotide polymorphisms (SNPs) have profound effects on the structural polymorphism in the context of G-quadruplex forming propensity, conformational heterogeneity and folding stability. With help of SNP analysis, we were able to select one of the predominant forms, formed by G-rich sequence d(G3TAG3CAG4ACACAG3T). This oligonucleotide termed HPV52(1-4) adopts a three G-quartet snap back (3+1) type scaffold with four syn guanine residues, two edgewise loops spanning the same groove, a no-residue V loop and a propeller type loop. The first guanine residue is incorporated in the central G-quartet and all four-guanine residues from G4 stretch are included in the three quartet G-quadruplex core. Modification studies identified several structural elements that are important for stabilization of the described G-quadruplex fold. Our results expand set of G-rich targets in viral genomes and address the fundamental questions regarding folding of G-rich sequences.

Methylsilsesquioxane aerogels with uniform mesopores have been facilely prepared via a sol–gel process followed by microwave drying with methyltrimethoxysilane (MTMS) as precursor, hydrochloric acid (HCl) as catalyst, water and methanol as solvents, hexadecyltrimethylammonium chloride (CTAC) as surfactant and template and propylene oxide (PO) as gelation agent. The microstructure, chemical composition and pore structures of the resultant MSQ aerogels were investigated in detail to achieve controllable preparation of MSQ aerogels, and the thermal stability of MSQ aerogels was also analyzed. The gelation agent, catalyst, solvent and microwave power have important roles on pore structures of MSQ aerogels. Meanwhile, microwave drying method is found to not only have a remarkable effect on improving production efficiency, but also be conducive to avoid the collapse of pore structure especially micropores during drying. The resulting MSQ aerogel microwave-dried at 500 W possesses a specific surface area up to 821 m2/g and a mesopore size of 20 nm, and displays good thermal stability.

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

The development of novel porous composite materials for organic dye degradation and removal has received increasing attention due to water contamination problem. In this paper, hydrothermal synthesized nano zeolite A have been encapsulated with porous periodic mesoporous organosilica (PMO) through a simple modified StÖber method an organosilane-directed growth-induced etching strategy, the obtained yolk-shell structured sample was further functionalized by the impregnation of copper, realizing the composite material with hierarchical porous and catalytic properties. The morphology, porosity and metal content of the zeolite Cu/A and Cu/A@Et-PMO were fully characterized. As compared to the parent material, the composite Cu/A@Et-PMO have an efficient adsorption and catalytic degradation performance on methylene blue (MB), the removal efficiency reached as high as 95% of 60 mg/L MB with 10min. These novel structured porous composites may have great potential for adsorption and degradation application including waste effluents.

Here we present a fast and highly scalable community structure preserving network module detection that recursively integrates graph sparsification and clustering. Our algorithm, called SparseClust, participated in the most recent DREAM community challenge on disease module identification, an open competition to comprehensively assess module identification methods across a wide range of biological networks.

This article studies examines the relationship of literature, ideology, and reading through a study of language, or la langue, as explored by De Man, Derrida, and Lacan. It attempts to show that structure, assumed to be the given of language, even within deconstruction, is, as structure, that which undoes structure. Literature explores this possibility of language, which is that it be and not be at the same time. The article finishes by studying the connection between this idea of literature as the possibility of language and the possibility of man, an important theme of the above three thinkers.

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.

Atomic structure of N-electron atoms is often determined using the Hartree-Fock method, which is an integro-differential equation. The exchange term of the Hartree-Fock equations is usually treated as an inhomogeneous term of a differential equation, or with a local density approximation. This work uses matrix methods to solve for the Hartree-Fock equations, rather than the more commonly-used shooting method to integrate an inhomogeneous differential equation. It is well known that a derivative operator can be expressed as a matrix made of finite-difference coefficients; energy eigenvalues and eigenvectors can be obtained by using computer linear-algebra packages. We extend the same technique to integro-differential equations, where a discretized integral can be written as a sum in matrix form. This method is compared against experiment and standard atomic structure calculations. We also can use this method for free-electron wavefunctions. This technique is important for spectral line broadening in two ways: improving the atomic structure calculations, and improving the motion of the plasma electrons that collide with the atom.

Turnip mosaic virus (TuMV) is one of the most widespread and economically important virus infecting both crop and ornamental species of the family Brassicaceae. TuMV isolates can be classified to five phylogenetic lineages, basal-B, basal-BR, Asian-BR, world-B and Orchis. To understand the genetic structure of TuMV from radish in China, the 3′-terminal genome of 90 TuMV isolates were determined and analyzed with other Chinese isolates available. The results showed that the Chinese TuMV isolates from radish formed three groups: Asian-BR, basal-BR and world-B. More than half of these isolates (52.54%) were clustered to basal-BR group, and could be further divided into three sub-groups. The TuMV basal-BR isolates in the sub-groups I and II were genetically homologous with Japanese ones, while those in sub-group III formed a distinct lineage. Sub-populations of TuMV basal-BR II and III were new emergent and in a state of expansion. The Chinese TuMV radish populations were under negative selection. Gene flow between TuMV populations from Tai’an, Weifang and Changchun was frequent.

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

Aluminum is a strategic mineral resource, and China’s aluminum production and consumption is fairly large. However, its supply guarantee is uncertain because of a high dependency on external raw materials. This uncertainty may expand, so finding a way to reduce the uncertainty of aluminum resource supply is especially important. This paper applies the SFA method to analyze the aluminum flows in mainland China from 1996 to 2014, and establishes a supply structure model to measure its supply guarantee degree. The results claim that: (1) China’s aluminum production can satisfy demand and even create a surplus; (2) Domestic self-productive primary and secondary aluminum increased at an annual rate of 12% and 24%; (3) The proportion of self-productive secondary aluminum in the supply structure increased from 7.7% in 1996 to 12.8% in 2014, while that of primary aluminum decreased from 79.6% to 42.8%; (4) The total supply guarantee degree decreased from 87.3% to 55.6% in this period. These results provide a feasible way to solve this plight: the proportion of secondary aluminum in the supply structure should be enhanced, and an efficient aluminum resource recycling system needs to be established as soon as possible to ensure its sustainable supply.

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.

Optical fiber sensors based on tapered optical fiber (TOF) structure have attracted a considerable amount of attention from researchers due to the advantages of simple fabrication, high stability, diverse structures, and have great potential for applications in many fields such as physics, chemistry and biology. Compared with ordinary optical fibers, TOF with their unique structural characteristics significantly improve the sensitivity and response speed of fiber-optic sensors and broaden the application range. This review presents an overview of the latest research status and characteristics of fiber-optic sensors and TOF sensors. Then the working principle of TOF sensors, fabrication schemes of TOF structures, novel TOF structures in recent years, and the growing emerging application areas are described. Finally, the development trends and challenges of TOF sensors are prospected. The objective of this review is to convey novel perspectives and strategies for the performance optimization and design of TOF sensors based on fiber-optic sensing technologies.

This paper presents an in-depth study of the stress wave behavior propagating in a Rayleigh–Love rod with a sudden cross-sectional area change. The analytical solutions of stress waves are derived for the reflection and transmission propagation behavior at the interface of the cross-sectional area change in the rod, considering inertia and Poisson’s effects. Examples solved by the finite element method are provided to verify the correctness of the analytical results. In addition to the forward analysis of Rayleigh–Love wave propagation in rods impacted by a striker rod, a nondestructive testing method is proposed to conduct the defect assessment in the rod type of the structure component with a sudden cross-sectional area change within a cover medium by using the measured signals at the measurable zone of the rod to be inspected.

The quinoline derivative, N-(7-chloro-4-morpholinoquinolin-2-yl)benzamide, was synthesized in a conventional three-step procedure from 4,7-dichloroquinoline using N-oxidation reaction/C2-amidation reaction/C4 SNAr reaction sequence. The structure of the compound was fully characterized by FT-IR, 1H‐, 13C-NMR, DEPT-135°, and ESI-MS techniques. Its physicochemical parameters (Lipinski’s descriptors) were also calculated using the online SwissADME database. Such derivatives are relevant therapeutic agents exhibiting potent anticancer, antibacterial, antifungal, and antiparasitic properties.

We perform cosmological parameters estimation on Planck Cosmic Microwave Background (CMB) maps masking the recently discovered foreground related to nearby spiral galaxies. In addition, we also analyse the association between these foreground regions and recent claims of cosmological causal horizons in localized CMB parameter estimates. Our analysis shows consistent cosmological parameter values regardless of the masking approach, though reduced sky areas introduce larger uncertainties. By modelling the new extragalactic foreground, we identify a resemblance with local parameter variation maps with a statistical significance at the 3 sigma level, suggesting that a simplified foreground model partially accounts, (40-50)% correlation with 15% uncertainty, for the observed causal horizons. These findings add new evidence to the existence of the new foreground associated with large spiral galaxies and show that estimates of cosmological parameters on smaller patches on the sky can be largely affected by these foregrounds, but that the parameters taken over the full sky are unaltered.

This paper examines the role of public enterprises in providing safe drinking water in developing countries and analyses the factors influencing households' water source choices using a revealed preference model. The study, conducted in rural Nepal, reveals a substantial willingness to pay for convenient access to safe water, challenging the notion that rural households, especially women, do not value time savings from improved water access. The findings suggest that the predominant supply-driven, heavily subsidised approach of public water utilities warrants reconsideration. The paper argues that the willingness to pay exists but the willingness to charge is stymied. This policy creates a vicious cycle of poor service and poor cost recovery. The paper suggests a paradigm shift towards a more demand-responsive approach, allowing households to choose and pay for their desired service levels while ensuring a minimum level of safe water for all. This could enhance sustainability, welfare, and financial viability of public water utilities. The study concludes that public enterprises have a critical role in ensuring universal access to safe water but should adopt a more dynamic, accountable, and service-oriented approach, incorporating user preferences and contributions while retaining their core public mandate.

The paper describes the influence of the drum system construction of two modern carding machines on the porous structure of spunlace non-wovens composed of polyester and viscose. The non-woven fabric structure, including the number and size of the pores, determines the tensile strength of the composites obtained. The spunlace non-wovens were subjected to tensile strength tests in the machine, and cross directions and microscopic observations of their structure were made. The results of the experiments were used to determine the relationship between the strength of the material and the porosity of its structure. This knowledge was used to prepare recommendations for the manufacturer of wet wipes in order to enable the selection of a carding machine for the mass production of final products with strength properties that meet market requirements and satisfy the end customer.

This study uses Historical Geographic Information Systemsand spatial analysis methods like Space Syntax and Kernel Density Estimation to examine the urban spatial evolution of Xi'an from the Five Dynasties (907 CE) to the early People's Republic of China (1949 CE). By focusing on six historical periods, it reveals the city's transition from a centralized layout to a decentralized, multi-center form. The research shows that Xi'an's spatial structure was shaped by political, economic, cultural, and environmental forces. The Ming and Qing dynasties, in particular, saw economic diversification and the influence of the Silk Road, driving the city's outward expansion and the formation of multiple functional zones. The study also discusses how these historical changes offer valuable lessons for modern urban planning, particularly in balancing cultural heritage preservation with modernization. Overall, the findings provide fresh insights into the long-term urban development of historic cities and offer practical strategies for modern urban planning.

The study delved into the interaction between corn starch and ethyl maltol during innovative repeated-continuous heat-moisture treatment (RCHMT), and its impact on the quality of fried chicken nuggets. The results revealed that the complexation ratio of ethyl maltol in the corn starch-ethyl maltol complex remained stable, and the complex created dense microporous structures. Native starch and complex samples exhibited an A-type crystal structure, while the physical mixture sample showed a Ca-type. Additionally, the peak of C-O-H def., CH2 of the complex sample was red-shifted, and the hydrogen bond structure was enhanced. Moreover, the complex exhibited a higher resistant starch content and lower hydrolysis rate than the physical mixture sample. The starch-ethyl maltol formed by RCHMT is a non-inclusion complex. It has been shown to reduce oil absorption and enhance the crispness of fried chicken nuggets, matching that of commercial products. This finding provides a direction for the development of innovative coating powders.

Robot grasp modeling and implementation is one of essential abilities for a robot with embodied artificial intelligence. However, most existing deep learning-based grasp methods suffer a large number of parameters and heavy computation overheads. To address this issue, by fully exploiting the complementary capabilities of both CNNs and Transformers, we propose a smart grasp deep network with one-way fusion strategy via context path and spatial path (SGNet), which enjoys a lightweight structure, fast inference speed and easy deployment on devices with limited computation resources. Specifically, the context path employs lightweight depthwise separable convolution to achieve fast down-sampling while a novel DSFormer module mainly by integrating Transformer is to extract global and context-rich features. The spatial path efficiently fuses feature information from the context path in one-way manner and generate high-resolution feature maps via point-by-point convolution operations. Experimental results show the proposed model with only 1M parameters has a significantly overall performance, achieving 99.4% accuracy on Cornell dataset and 93.4% accuracy on Jacquard dataset, as well as within 12.5ms inference time.

The disease of transthyretin (TTR) amyloidosis (ATTR) has been known since the 1960s, and during these past 60 or so years, there has been a sustained peri-od of steady discoveries that have led to the current model of ATTR pathogene-sis. More recent research has achieved major advances in both diagnostics and therapeutics for ATTR, which are having a significant impact on ATTR patients today. Aiding these recent achievements has been the remarkable ability of cryo-electron microscopy (EM) to determine high-resolution structures of amy-loid fibrils obtained from individual patients. Here, we will examine cryo-EM structures of transthyretin amyloid fibrils to explore the structural basis of re-cent monoclonal antibody therapies for ATTR, including ALXN-2220 and Co-ramitug; as well as to point out potential applications of this approach to other systemic amyloid diseases.

It's been a growing concern that many microbes are developing resistance against many antibiotics, lowering the effectiveness and progress expected from that treatment option. To overcome the re-sistance developed by microbes, metallic and non-metallic-based nanoparticle treatments are starting to present a very promising approach. Furthermore, polyurethanes are used in a wide range of biomedical applications due to their variety of physical-chemical, mechanical, and structural properties, and biotic and abiotic degradation. They are widely used in bio-imaging procedures when metallic-based filler particles are incorporated, making the final product radiopaque. It would be advantageous, however, if polyurethanes with intrinsic radiopacity could be produced in their synthesis, avoiding a series of disadvantages in the processing and final product and also presenting potential antimicrobial activities. This review’s objective was to study the radiopacifying charac-teristics of nanoparticles as well as the physical principles of radiopacity and the variety of medical applications of polyurethanes with nanoparticles. It was found in this study that the synthetization of radiopaque polyurethanes is not only possible but also that the efficiency of synthetization was improved when using atoms with high electron density as part of the back chainbone or grafted, making them great multipurpose materials.

Natural products are considered an essential source of chemical compounds with relevant biological activities. Important antibiotics, anti-virals, and anticancer agents within healthcare facilities have been isolated from them. In recent decades, the study of alkaloids and the modulation of the immune response has aroused interest. The survey of SAR alkaloids with immunomodulatory effects is of great importance since structural modifications impact the effectiveness of the immunomodulatory activity, thus promoting the rational design of more effective and specific drugs. This review exhibits the main alkaloids with an immunomodulatory effect and their relationship with SAR studies, particularly in activating leukocytes and secretion of molecules with critical inflammatory activities such as cytokines, chemokines, and nitric oxide. These studies optimize the properties of alkaloids and allow a deeper understanding of the mechanisms of action at a molecular level, which is fundamental for the innovation of immunological therapies.

Sharing confidential information is a critical concern in today’s world. Secret sharing schemes facilitate the sharing of secrets in a way that ensures only authorized participants (shareholders) can access the secret using their allocated shares. Hierarchical secret sharing schemes (HSSSs) build upon Shamir’s scheme by organizing participants into different levels based on priority. Within HSSS, participants at each level can reconstruct the secret if a specified number, denoted as the threshold value (t), or more of them are present. Each level has a predetermined threshold value. If the number of participants falls below the threshold at any level, higher-level participants must be involved in reconstructing the secret at lower levels. Our paper proposes schemes that implement hierarchical access structures and enable the sharing of multiple secrets. Additionally, our proposed scheme includes share verification. We have analyzed potential attacks and demonstrated the scheme’s resistance against them. Through security analysis and comparison with existing schemes, we highlight the novelty and superiority of our proposed approach, contributing to advancements in secure information sharing practices.

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.

In this paper, single and repetitive frequency UIS characteristics of 1200 V asymmetric (AT)and double trench silicon carbide (DT-SiC) metal–oxide-semiconductor field-effect transistors (MOSFETs) under different working conditions are investigated by experiment and simulation. For asymmetric trench SiC MOSFETs, the failure mode is all thermal runaway under working conditions. However, the failure mode of double trench SiC MOSFETs mostly is gate oxide rupture, which indicates an instable avalanche robustness under UIS stress. The variations of measured parameters are recorded to evaluate typical electrical features of device failure. Furthermore, TCAD simulation is used to reveal the electro-thermal stress inside the device during avalanche. Additionally, failed devices are decapsulated to verify the location of failure point from the perspective of the semiconductor die. Finally, a new type of stepped-oxide vertical power DT MOSFET with P-type shielding and current spread layers is proposed for improvement of gate dielectric reliability.

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

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

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.

Polypyrrole (PPy)-capped caped silver nanowire (Ag NW) nanomaterials (core–shell rod-shaped Ag NW@PPy) were synthesized suing a one–port suspension polymerization technique. The thickness of PPy layer on the 50-nm-thickness/15-μm-length Ag NW was effectively controlled to 10, 40, 50, and 60 nm. Thin films cast from one-dimensional conductive Ag NW@PPy formed a three-dimensional (3-D) conductive porous network structure and provided excellent electrochemical performance. The 3-D Ag NW@PPy network can significantly reduce the internal resistance of the electrode and maintain structural stability. As a result, a high specific capacitance of 625 F/g at a scan rate of 1 mV/s was obtained from the 3-D porous Ag NW@PPy composite film. The cycling performance over a long period exceeding 10,000 cycles was also evaluated. We expect that our core–shell-structured Ag NW@PPy composites and their 3-D porous structure network films can be applied as electrochemical materials for the design and manufacture of supercapacitors and other energy storage devices.

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.

The development of new and effective antimicrobial compounds is an urgent need with the emergence of resistant bacteria. Natural plant flavonoids are known to be effective molecules but their activity and selectivity have to be increased. Based on previous aurone potency, we designed new aurone derivatives bearing acetamido and amino groups at the position 5 of the A ring and managing various monosubstitutions at the B ring. A series of 31 new aurone derivatives were first evaluated for their antimicrobial activity with five derivatives being the most active (compounds 10, 12, 15, 16, and 20). The evaluation of their cytotoxicity on human cells and of their therapeutic index (TI) showed that compounds 10 and 20 have the highest TI. Finally, screening against a large panel of pathogens confirmed that compounds 10 and 20 possess a large spectrum antimicrobial activity, including on bioweapon BSL3 strains, with MIC values as low as 0.78 µM. These results demonstrate that 5-acetamidoaurones are far more active and safest compared with 5-aminoaurones, and that benzyloxy and isopropyl substitutions at the B ring are the most promising strategy in the exploration of new antimicrobial aurones.

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 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.

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.

The paradigm of leveraging code as a dataset has recently gained traction, offering innovative solutions in domains such as automated commit message generation, pull request description automation, and program repair mechanisms. Consider the challenge in generating commit messages: traditional methods treat source code as a mere token sequence, applying neural machine translation models. This approach, however, overlooks the critical syntactic structures inherent in programming languages, which could offer deeper insights and improved accuracy. Building upon prior research, specifically the Code2Seq framework, which utilized Abstract Syntax Tree (AST) structural data for source code representation to automate method name generation, this paper extends and refines this concept. We introduce "CSR", a novel methodology adapted to represent code edits effectively. This paper investigates the impact of employing syntactic structure, focusing on the classification of code edits. Drawing inspiration from Code2Seq, "CSR" utilizes AST's structural properties, particularly the paths connecting leaf nodes, to enhance the task of code edit classification. This approach is rigorously evaluated on two distinct datasets, comprising fine-grained syntactic edits. Our comprehensive experiments reveal that incorporating syntactic structures does not significantly outperform simpler methodologies. While methods like Code2Seq and our proposed "CSR" show potential, our findings highlight that there is considerable scope for improvement and refinement before such techniques can be universally applied for learning representations of code edits. We anticipate that our findings will spark further research in this field, paving the way for more effective use of syntactic structures in code representation.

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

The groundbreaking Advanced Forest-Based Tagging Framework (AFTF) represents a paradigm shift in the domain of information extraction from medical texts. AFTF introduces a novel dual-binary tree structure that redefines how entity-relation triples are extracted. This innovative approach directly tackles the limitations of traditional linear and graph-based methods, effectively addressing challenges related to overlapping triples and computational efficiency. The AFTF model stands as a beacon of excellence, surpassing established baselines by significant margins in comprehensive evaluations on two pivotal medical datasets. Notably, AFTF achieves remarkable improvements in F1 scores, showcasing its prowess in accurate information extraction from complex medical narratives. Beyond its exceptional performance in the medical domain, AFTF exhibits remarkable versatility. This adaptability is vividly demonstrated through its robust performance across three diverse public datasets, further affirming its position as a versatile and reliable solution for information extraction tasks. This paper provides a comprehensive exposition of the AFTF architecture, shedding light on its innovative design principles and its efficient handling of intricate medical texts. AFTF represents a groundbreaking step forward in the realm of information extraction, promising enhanced accuracy, efficiency, and adaptability for a wide range of applications.

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.

Guava (Psidium guajava L.) is a species is widely distributed in Córdoba, despite this, there are few studies that have been carried out to understand its genetic diversity. For this reason, the objective of this research was to evaluate the genetic diversity and variability of guava (Psidium guajava L) using microsatellite markers in Montería, Córdoba-Colombia. Forty-five accessions were evaluated. For DNA extraction, the CTAB 2x extraction protocol was used with modifications. The extracted DNA was amplified by the PCR technique using seven microsatellite markers. A total of 46 alleles were found with an average of 6.5 alleles per locus. A total of 28 private alleles were identified in the populations, possibly fixed by different evolutionary forces. The evaluated population presented an average expected heterozygosity of 0.572 and the observed heterozygosity was lower (0.058). The fixation index presented a total average of 0.906, indicating that in Montería there is an excess of homozygotes. The PIC values allowed us to determine that the markers mPgCIR9, mPgCIR11, mPgCIR13, mPgCIR16, mPgCIR19 and mPgCIR22 are highly informative, while mPgCIR23 is moderately informative. The guava population in Montería presented a low genetic diversity within the subpopulations, which could be related to inbreeding events such as self-pollination..

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.

A picture is worth a thousand words. Many branches of Science have been historically benefited with plots and visual analyses (lately, image processing and deep learning) alongside with traditional number crunching. In Molecular Biophysics, one such problem is the structure validation problem in proteins which stands with a history of plot-tools being effectively serving the complex problem to its complete resolution. Spanning across six decades, validation of protein structures (from experimental to modeled) dates back to the legendary Ramachandran Plot (with its never ending growth and modern-day applications) to the relatively recent innovation of the Complementarity Plot (CP), establishing the dual nature of complementarity as the physical basis of both binding and folding of proteins. Lately, CP has been extended to serve as a trustworthy free energy predictor utilizing supervised learning in the form of a comprehensive web-server (EnCPdock: https://www.scinetmol.in/EnCPdock/) that can be directly used in the design of protein interfaces. The commentary recapitulate the history of structure validation with a special emphasis on plot tools, highlighting key features and important discoveries worth re-visiting.

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.

Mangrove forests play a vital role in maintaining the ecological balance of coastal regions. Ac-curately assessing changes in their ecosystem service value (ESV) requires more than precise mangrove distribution data, an appropriate set of evaluation methods is also needed. In this study, we obtain the spatial distribution and structural changes of mangrove forests based on Sentinel-2 imagery and build a mangrove forest ESV evaluation system by combining spatial pattern and the millennium ecosystem services. The results showed that: (1) the area of mangroves in Guangxi increased from 6245.15 ha in 2016 to 6750.01 ha to 2020, with a net increase of 504.81 ha which mainly concentrated in Lianzhou Bay, Tieshan Harbour and Dandou Bay; (2) the ESV of mangrove forests was 379.85 million U.S. dollars (USD) in 2016 and 413.13 million USD in 2020; (3) the value of fishery, soil conservation, wave absorption, and pollution purification comprise the largest proportion of the ESV of mangrove forests. From 2016 to 2020, mangroves in Guangxi had demonstrated a positive development trend and was undergoing a process of recovery. Results and conclusions of this study provide valuable insights and information to facilitate a more profound comprehension of the relationship between the mangrove forest and its ecological significance.

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.

The spin-1/2 quantum transverse Ising model, defined on a ladder structure, with nearest-neighbor and four-spin interaction on a plaquette, is studied by using exact diagonalization and finite-size-scaling procedures. The quantum phase transition between the ferromagnetic and paramagnetic phases has been obtained in the thermodynamic limit. The critical transverse field decreases as the antiferromagnetic four-spin interaction increases, and reaches a multicritical point. However, the exact diagonalization approach was not able to capture the essence of the dimer phase beyond the multicritical transition.

The Cosmonaut Sea is an under-studied area and a “blank canvas” for macrobenthos research. Here, we report on the species diversity and community structure of macrobenthos collected using the tringle trawl on the 38th Chinese National Antarctic Research Expedition (CHINARE) in the Cosmonaut Sea, East Antarctica. A total of 11 tringle trawls were deployed at different depths across the shelf, slope and seamount of the Cosmonaut Sea. A total of 275 macrobenthic species were found from 207-1994 m. The species richness per station varied from 23 to 89. Echinoderms (100 species), arthropods (48 species) and mollusks (36 species) were the most dominant groups. Echinoderms and arthropods dominated in abundance at seamount stations, and echinoderms, arthropods and polychaetes dominated in abundance at slope stations, while bryozoans, corals, ascidians and sponges were abundant on the Cosmonaut Sea Shelf. Depth was the major driving force influencing the distribution of macrobenthos. The main components were two core communities. One was dominated by sessile suspension feeders and associated fauna. Variants of this community include sponges and bryozoans. The other core community was dominated by mobile deposit feeders, infauna and grazers–epifauna, which included arthropods and echinoderms. The results showed that the slope (40-50° E, 65-67° S) of the Cosmonaut Sea may be an important area with complex ecological processes. The results of this study contribute to the knowledge of species diversity and communities of macrobenthos in the Cosmonaut Sea and provide monitoring data for future ecosystem health assessments and better protection.

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