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.

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.

This article explains how resistance alleles have become rare or have disappeared from honey bee populations in Europe (and probably also in North America). Honeybees have the highest recombination frequency of all animals, indicating that pathogenic bacteria, viruses, fungi and microsporidia are an important source of selection. To respond to new virulent strains of pathogens, honeybees need to have access to rare alleles that could foster immunity against a new pathogen. By mating in a large panmictic population, new rare alleles can be recruited, which can then be combined into new genotypes through recombination with useful alleles of other genes. Bee breeders, by selecting small samples from a large population tend to select common alleles and lose the rare ones. Rare alleles can become important when a new virulent pathogen arrives. The loss of rare alleles makes bees vulnerable to disease and parasites and explains, together with the problems caused by modern agriculture, why managed bees have high mortality rates.

(1) Background: The compound ytterbium trifluoride is used as a component of several dental materials, and this is reviewed in the current article. (2) Methods: Published articles on this substance were identified from PubMed, and showed that it has been included in a variety of dental restorative materials, including composite resins, glass polyalkenoate cements and calcium trisilicate cements. (3) Results: Ytterbium trifluoride is reported to be insoluble in water. Despite this, its presence is associated with fluoride release from dental materials. There is evidence that it reacts with the components of calcium trisilicate cements to form small amounts of a variety of compounds, including ytterbium oxide, Yb2O3, and calcium-ytterbium fluoride, CaYbF5. In nanoparticulate form, it has been shown to reinforce glass polyalkenoates and it also provides high contrast in X-ray images. (4) Conclusions: Ytterbium trifluoride is a useful component of dental materials, though some of the published findings suggest that there are aspects of its chemistry which are poorly understood.

In this paper we will provide a new equation that explains why there are three generations or families of leptons and quarks, respectively. We will also explain why all those particles have the known mass ratios amongst their three respective generations and flavors. We will also tackle the problem of Yukawa couplings being arbitrary parameters in the Standard Model Higgs mechanism, which is a long standing problem do to their formulaic dependence on the Higgs Vacuum Expectation Value (VEV). We will attempt to solve this problem and provide a strong argument through an equation for Yukawa couplings of all leptons and quarks via a new methodology that depends on the running of the fine-structure constant on the Q scale, quantum numbers and the Weinberg angle (also on the Q scale). We will also make predictions for all three left-chiral neutrino mass eigenstates and we will provide upper limits for the three right-chiral neutrino mass eigenstates

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

The very slow anodic oxygen evolution reaction (OER) greatly limits the development of large-scale hydrogen production via water electrolysis. By replacing OER with easier urea oxidation reaction (UOR), developing a HER/UOR coupling electrolysis system for hydrogen production can significantly save energy and costs. Al doped cobalt ferrocyanide (Al-Co2Fe(CN)6) nanocube array was in-situ grown on nickel foam (Al-Co2Fe(CN)6/NF). Due to the unique nanocube array structure and regulated electronic structure of Al-Co2Fe(CN)6, the as-prepared Al-Co2Fe(CN)6/NF electrode exhibited outstanding catalytic activities and long-term stability to both UOR and HER. The Al-Co2Fe(CN)6/NF electrode needed potentials of 0.169 V and 1.118 V (vs. reversible hydrogen electrode) to drive 10 mA cm−2 for HER and UOR, respectively, in alkaline condition. Applying the Al-Co2Fe(CN)6/NF to a whole urea electrolysis system, 10 mA cm−2 was achieved at a cell voltage of 1.357 V, which saved 60% electricity energy comparing to that of tranditional water splitting. Density functional theory calculations demonstrated that the boosted UOR activity comes from Co sites with Al doped electronic environments. This promoted and balanced the adsorption/desorption of main intermediates in UOR process. This work indicates that Co based materials as efficient catalysts have great prospects for application in urea electrolysis systems, and are expected to achieve low-cost and energy-saving H2 production.

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

Reaction of the phosphonated hydrazone (2-hydrazineylidenepropyl) diphenylphosphine oxide 1 with p-fluorophenyl-isothiocyanate yields as major product the thiosemicarbazone Ph2P(=O)CH2{C=N-NH(C=S)-N(H)C6H4F}CH3 (2-(1-(diphenylphosphoryl)propan-2-ylidene)-N-(4-fluorophenyl)hydrazine-1-carbothioamide) 2 along with bis(N-p-fluorophenylthiourea) 3 as minor product. This latter product 3 was isolated as main product by direct treatment of p-FC6H4N=C=S with hydrazine in a 2:1 ratio. Both 2 and 3 were characterized by NMR. Furthermore, the molecular structure of 3 was elucidated by an X-ray diffraction study. A conformational DFT study, at the B3LYP/6311 G++ (d, p) level of theo-ry, confirmed a good match between the calculated structure and the experimental one.

Solid propellants have significant applications in aerospace, and improving their combustion performance has become a hot research topic in recent years. Carbon black (CB) has been widely used in the field of catalytic pyrolysis due to its low cost, controllable morphology, and ease of modification. Herein, we first investigates the structure-activity relationship between the physicochemical properties of nine types of CB with a particle size range of 1-15 μm and a mass fraction of 5%, including oil absorption value, compression oil absorption value, and oxygen content, and the catalytic pyrolysis of ammonium perchlorate (AP), concluding that the function relationship between oil absorption value and high-temperature peak is Y1=1032.67-9.618x+0.038x2, the function relationship between compression oil absorption value and high-temperature peak is Y2=145.537+62.365ln(x), and the function relationship between oxygen content and high-temperature peak is Y3=e(6.085-0.02/x). Based on these, we further uses coal tar, which is abundant in sources, as the raw material to prepare five types of coal-based CB marked as CB1-CB5 at pyrolysis temperatures of 1000~1800 ℃. The relative error between the actual peak value and the predicted value of the CB/AP composite particles is less than 5%, proving that the peak temperature model of CB/AP composite particles can guide actual production. This study contributes to promoting CB application in improving the catalytic pyrolysis performance of ammonium perchlorate and enhancing the high added value utilization of coal-derived products.