Types Of Structures Research Articles

Variation of terpene alkaloids in Daphniphyllum macropodum across plants and tissues.

Daphniphyllum macropodum produces alkaloids that are structurally complex with polycyclic, stereochemically rich carbon skeletons. Understanding how these compounds are formed by the plant may enable exploration of their biological function and bioactivities. We employed multiple metabolomics techniques, including a workflow to annotate compounds in the absence of standards, to compare alkaloid content across plants and tissues. Different alkaloid structural types were found to have distinct distributions between genotypes, between tissues and within tissues. Alkaloid structural types also showed different isotope labelling enrichments that matched their biosynthetic relationships. The work suggests that mevalonate derived 30-carbon alkaloids are formed in the phloem region before their conversion to 22-carbon alkaloids which accumulate in the epidermis. This sets the stage for further investigation into the biosynthetic pathway.

3D molecular structural modeling and characterization of indium phosphide via irregularity topological indices

Indium phosphide (InP) is a binary semiconductor composed of indium and phosphorus. It has a zinc blende crystal structure, which is a type of cubic lattice structure. This lattice is composed of indium and phosphorus atoms arranged in a lattice of cube-shaped cells, with each cell containing four indium atoms and four phosphorus atoms. This lattice structure is the same for all materials with a zinc blende crystal structure and is the most common type of lattice structure in semiconductors. Indium phosphide (InP) has several chemical applications. It is commonly used as a dopant in the production of semiconductors, where it helps control the electrical properties of the material. InP is also utilized in the synthesis various indium-containing compounds, which can have applications in catalysts and chemical reactions. Additionally, InP nanoparticles have been investigated for their potential use in biomedical imaging and drug delivery systems. The topological characterization of 3D molecular structures can be performed via graph theory. In graph theory, the connections between atoms are represented as edges and the atoms themselves are represented as nodes. Furthermore, graph theory can be used to calculate the topological descriptors of the molecule such as the degree-based and reverse degree-based irregularity toplogical indices. These descriptors can be used to compare the topology of different molecules. This paper deals with the modeling and topological characterization of indium phosphide (InP)\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$({\ ext{InP}})$$\\end{document} via degree-based and reverse irregularity indices. The 3D crystal structure of the InP is topologically modeled via partition of the edges, and derived closed form expressions for its irregularity indices. Our obtained results will be surely be helpful in investigating the QSPR/QSAR analysis as well as understanding the deep irregular behavior of the indium phosphide (InP)\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$({\ ext{InP}})$$\\end{document}.

СТРУКТУРНАЯ ОРГАНИЗАЦИЯ МОЛЕКУЛ СОЙМОРФИНОВ

The conformational capabilities of soymorphine-5 (Thr1-Pro2-Phe3-Val4-Val5-NH2), soymorphine-6 (Tyr1-Pro2-Phe3-Val4-Val5-Asn6-NH2) and soymorphine-7 (Tyr1- Pro2-Tyr3-Val4-Val5-Asn6-Ala7-NH2) molecules have been studied by the method of theoretical conformational analysis. The potential function of the system is chosen as the sum of non-valence, electrostatic and torsion interactions and the energy of hydrogen bonds. The low-energy conformations of soymorphine-5, soymorphine-6 and soymorphine-7 molecules were found, the dihedral angles of the main and side chains of amino acid residues that make up the molecule were found, and the energy of intra- and interresidual interactions was estimated. Thus, the spatial structure of soymorphine-5, soymorphine-6 and soymorphine-7 molecules can be represented by eight structural types. It can be assumed that the molecules perform their physiological functions in these structures. Comparison of the low-energy structures of soymorphins shows that in all molecules the first four low-energy conformations are representatives of the structural types efef, efee, efff, effe for soymorphine-5, effff, efeff, efffe, effee for soymorphine-6, efffff, efeffe, efffef, effeee for soymorphine-6. soymorphine-7. On the basis of these structures, it is possible to propose their artificial analogues for synthesis. It was shown that the spatial structure of soymorphine-5, soymorphine-6 and soymorphine-7 molecules is represented by the conformations of eight shapes of the peptide skeleton. The results obtained can be used to elucidate the structural and structural-functional organization of soymorphine molecules.

Effect of polarization on tunnelling electroresistance in ferroelectric tunnel junctions

High-quality epitaxial BiFeO3 (BFO) films were grown on (001)-, (110)- and (111)-oriented Nb:SrTiO3 (NSTO) substrates by pulsed laser deposition. The type of domain structure can be modulated using BFO ferroelectric films with different crystalline orientations. The ON/OFF ratios obtained in (001)-, (110)- and (111)-oriented Au/BFO/NSTO ferroelectric tunnel junctions (FTJs) are 6 × 103, 3 × 104 and 2 × 105, respectively. Analysis of the I–V curves of tunnelling current and average BFO ferroelectric barrier height proves that the polarization intensity of the BFO films modulates both the ferroelectric barrier and the Schottky barrier profile, which further influences the electronic tunnelling probability in BFO FTJs. This work will be useful for further study on achieving a giant ON/OFF ratio and developing insights into the barrier profile and transport mechanism of metal/ferroelectric/semiconductor-type FTJs.

Carbon-coated TiNb2O7 microspheres with partial nitridation for high-performance lithium storage

TiNb2O7 has been applied to lithium-ion batteries owing to its large capacity and inherent safety, but suffers from its poor rate capability. Here, TiNb2O7 is modified through a combination of crystal-structure modification and conductive-phase coating, and C–NH3–TiNb2O7 with Ti2Nb[Formula: see text]O[Formula: see text]-type TiNb2O7 and Ti[Formula: see text][Formula: see text]Nb[Formula: see text]N/carbon double coatings is successfully synthesized. The unique Ti2Nb[Formula: see text]O[Formula: see text]-type structure of TiNb2O7 owns a large interlayer spacing, leading to fast Li[Formula: see text] diffusivity and remarkable intercalation-pseudocapacitive behavior. The conductive Ti[Formula: see text][Formula: see text]Nb[Formula: see text]N/carbon coatings result in good electrical conduction among the TiNb2O7 microspheres. Consequently, C–NH3–TiNb2O7 exhibits excellent rate capability of TiNb2O7 (large capacity percentage of 73.9% at 5C versus 0.5C). Besides the fast electrochemical kinetics, C–NH3–TiNb2O7 further exhibits large reversible capacities (237 mAh g[Formula: see text] at 0.1C and 146 mAh g[Formula: see text] at 5C) and outstanding cyclability (93.1% capacity retention after 500 cycles at 5C). These desirable electrochemical properties fully demonstrate that the C–NH3–TiNb2O7 anode material can be suitable for high-performance Li[Formula: see text]-storage.

Encapsulation of charged halogens by the 512 water cage.

This study focuses on the encapsulation of the entire series of halides by the 512 cage of twenty water molecules and on the characterization of water to water and water to anion interactions. State-of-the-art computations are used to determine equilibrium geometries, energy related quantities, and thermal stability towards dissociation and to dissect the nature and strength of intermolecular interactions holding the clusters as stable units. Two types of structures are revealed: heavily deformed cages for F- indicating a preference for microsolvation, and slightly deformed cages for the remaining anions indicating a preference for encapsulation. The primary variable dictating the properties of the clusters is the charge density of the central halide, with the most severe effects observed for the F- case. For the remaining halides, the anion may be safely viewed as a sort of "big electron" with little local disruptive power, enough to affect the network of non-covalent hydrogen bonds in the cage, but not enough to break it. Gibbs energies for dissociation either into cavity and halide or into water molecules and halide suggest that, in a similar way as to methane clathrate, a more weakly bonded complex that has been detected in the gas phase, all halide containing clathrate-like structures should be amenable to experimental detection in the gas phase at moderate temperature and pressure conditions.

Impact of self-assembled structure on ionic conductivity of an azobenzene-containing electrolyte.

The type of self-assembled structure has a significant impact on the ionic conductivity of block copolymer or liquid crystalline (LC) ion conductors. In this study, we focus on the effect of self-assembled structures on the ionic conductivity of a non-block copolymer, LC ion conductor, which is a mixture of an azobenzene monomer (NbAzo), pentaerythritol tetre(3-mercapropionate) (PETMP), and a lithium salt, lithium bis(trifluoromethane)sulfonimide (LiTFSI). The self-assembled structures and ionic conductivities of ion conductors having different doping ratios of lithium salt to monomer were examined. With the increase in the doping ratio, the self-assembled structure transforms from lamellae (LAM) to double gyroid (GYR). The effect of self-assembled structure on ionic conductivity was analyzed; it was found that the conductivity of the GYR structure was about 3.6 times that of the LAM one, indicating that obtaining the GYR structure is more effective in improving ionic conductivity.

Instructions for meaningful figures in radiological research publications.

In this paper, we explain the structure and function of different types of figures and provide guidance on how to create effective figures for radiological research publications.Based on scientific literature and our own experience, we have compiled a series of instructions to support the purposeful creation of effective figures for radiological research publications.Effective figures play a crucial role in radiological research publications by clearly visualizing complex content and thereby enhancing its comprehensibility. Different types of figures have distinct strengths that should be strategically employed for optimal impact. The interplay between figures weaves the "common thread" of a publication, facilitating reader comprehension and providing a straightforward path to the answer of the central research question. The systematic coordination (line of evidence) and effective design of individual figures are crucial to compellingly support the publication's central hypothesis.The deliberate creation and coordination of figures in radiological research publications are decisive factors for successful publishing. · Different types of figures have distinct strengths that should be strategically employed for optimal impact.. · The interplay between figures weaves the "common thread" of a publication, facilitating reader comprehension and providing a straightforward path to the answer of the central research question.. · The appropriate coordination of different types of figures enables an effective and precise presentation of the research findings.. · The systematic coordination (line of evidence) and effective design of individual figures are crucial to compellingly support the publication's central hypothesis.. · The deliberate creation and coordination of figures in radiological research publications are decisive factors for successful publishing.. · Pape LJ, Hambach J, Bannas P. Instructions for figures in radiological research publications. Fortschr Röntgenstr 2024; DOI 10.1055/a-2285-3223.

Rhizobacterial community and growth-promotion trait characteristics of Zea mays L. inoculated with Pseudomonas fluorescens UM270 in three different soils.

There is an increasing demand for bioinoculants based on plant growth-promoting rhizobacteria (PGPR) for use in agricultural ecosystems. However, there are still concerns and limited data on their reproducibility in different soil types and their effects on endemic rhizosphere communities. Therefore, this study explored the effects of inoculating the PGPR, Pseudomonas fluorescens strain UM270, on maize growth (Zea mays L.) and its associated rhizosphere bacteriome by sequencing the 16S ribosomal genes under greenhouse conditions. The results showed that inoculation with PGPR P. fluorescens UM270 improved shoot and root dry weights, chlorophyll concentration, and total biomass in the three soil types evaluated (clay, sandy-loam, and loam) compared to those of the controls. Bacterial community analysis of the three soil types revealed that maize plants inoculated with the UM270 strain showed a significant increase in Proteobacteria and Acidobacteria populations, whereas Actinobacteria and Bacteroidetes decreased. Shannon, Pielou, and Faith alpha-biodiversity indices did not reveal significant differences between treatments. Beta diversity revealed a bacterial community differential structure in each soil type, with some variation among treatments. Finally, some bacterial groups were found to co-occur and co-exclude with respect to UM270 inoculation. Considered together, these results show that PGPR P. fluorescens UM270 increases maize plant growth and has an important effect on the resident rhizobacterial communities of each soil type, making it a potential agricultural biofertilizer.

Application of Hydrogen Permeation Techniques to Assess the Effect of Inhibitors in Hydrochloric Steel Pickling of Low‐C Steels and Interstitial‐Free Steels

The acid pickling phase, generally entrusted to HCl‐based solutions, plays a fundamental role in the production of low‐C and interstitial‐free steel coils. Very often, however, pickling operations are challenging due to the possible onset of surface defects (underpickling, overpickling, appearance of surface defects, etc.) linked to complex phenomena involving numerous factors, such as acid concentration, Fe ions in solution, temperature, time, steel type, and scale structure. Moreover, the use of inhibitors, which is essential for controlling the pickling process, represents one of the major challenges. Their dosage, although minimal, must be carefully chosen based on the type of processed coils and other plant engineering variables. The flow of hydrogen that is generated on the surface of the steel during etching causes absorption of hydrogen by the metal and its measurement is strictly linked to the phenomena occurring during scale removal. The correlation of data obtained from a Devanathan double‐cell hydrogen permeation system to results of other techniques, such as weight loss, surface analysis, metallography, and electron microscopy shows that this system can be effectively used to indirectly measure the solution aggressiveness. This experimental approach is applied to two industrial steels: a simple carbon base and an interstitial free Ti steel.

EDGE-WIENER INDEX OF LEVEL-3 SIERPINSKI SKELETON NETWORK

The edge-Wiener index is an important topological index in Chemical Graph Theory, defined as the sum of distances among all pairs of edges. Fractal structures have received much attention from scientists because of their philosophical and aesthetic significance, and chemists have even attempted to synthesize various types of molecular fractal structures. The level-3 Sierpinski triangle is constructed similarly to the Sierpinski triangle and its skeleton networks have self-similarity. In this paper, by using the method of finite pattern, we obtain the edge-Wiener index of skeleton networks according to level-3 Sierpinski triangle. This provides insights for a better understanding of molecular fractal structures.

Unveiling the pressure-induced scheelite to M′-fergusonite phase transition in NaCe(MoO4)2

Sodium-cerium molybdate, NaCe(MoO4)2, belongs to the family of double alkaline rare-earth molybdate, and it holds significant importance across various technological domains, such as environmental remediation and energy conversion. Despite its importance, the behavior of NaCe(MoO4)2 under high-pressure conditions remains unexplored. This study uses synchrotron x-ray diffraction and Raman spectroscopy to investigate NaCe(MoO4)2in situ under high-pressure conditions. We observed a pressure-induced phase transition from the scheelite to the M′-fergusonite structure type on a double molybdate at approximately 10 GPa. These findings contribute to a deeper understanding of the structural stability of NaCe(MoO4)2 and shed light on the broader field of high-pressure studies of double molybdates.

Study on the Anti-Progressive Collapse Behavior of Steel Frame Structures under Close-Range Blast Loading

The steel frame structure plays an important role in strategic deployments and is widely used in heavy machinery, metallurgy, military, and other important industries. To study the impact of explosive loads on the anti-progressive collapse performance of steel structures, this paper proposes to establish the vulnerability characteristics of steel frame structures and provides a method for calculating vulnerability characterization indicators. A finite element model is used to analyze the dynamic response of steel frame structures under the action of close-range explosive loads, and factors influencing the anti-progressive collapse of steel frame structures are proposed, including the number of stories and diagonal bracing. A comparison is made between the various column types of steel structures under explosive loads, such as corner columns, long-edge middle columns, short-edge middle columns, inner columns, also in various coupling conditions. The results show that the progressive collapse of steel frame structures is greatly influenced by the position of the explosion and less affected by the amount of explosive material. The simultaneous failure of corner columns and long-edge middle columns is more likely to cause overall structural failure. The addition of diagonal bracing significantly improves the anti-progressive collapse ability and prevents the lateral displacement of steel frame structures; increasing the number of stories provides more alternative load transfer paths for steel frame structures, thereby preventing their collapse.

Advanced tree-based machine learning methods for predicting the seismic response of regular and irregular RC frames

In this study, predicting the maximum drift ratio (MDR) for two types of structures: 8-story regular (R8) and vertically irregular (IR8) reinforced concrete (RC) frames are focused. To accomplish this, advanced tree-based machine learning (ML) methods, namely Random Forest (RF), eXtreme Gradient Boosting (XGBoost), and Stochastic Gradient Boosting (SGB) are utilized. 2300 ground motion (GM) records, includes twenty-one input parameters and their nonlinear time history analyses results are considered as a dataset. The performance of the RF, XGBoost, and SGB models was examined considering the impact of the data pre-processing issue to test whether the use of data pre-processing approaches in model development could improve the prediction performance of the advanced ML models. Various data pre-processing techniques, including outlier detection using boxplot, missing data imputation using RF, data transformation using log transformation, and feature selection using Hill Climbing are employed as part of ML pipeline. The models' performance is evaluated using six different well-established statistical evaluation metrics. Subsequently, the results are systematically compared to identify the most effective prediction model. Our findings highlight the substantial impact of data pre-processing on the performance of ML models when predicting seismic responses, specifically the MDR of RC frames. Notably, RF consistently outperformed other ML models for both R8 and IR8 structures in the case of the simple ML pipeline strategy and data pre-processing approach. The RF model achieved R2 scores of R2 = 0.87 and R2 = 0.91 on the test data before implementing data pre-processing for R8 and IR8, respectively. After data pre-processing, R2 scores showed an improvement of 12% and 6.22% in the cases of R8 and IR8. In contrast, the performance scores of SGB consistently fell behind those of RF and XGBoost models.

Filing a lawsuit as a set of procedural actions at the stage of opening a lawsuit in a civil process

The article examines the concept, essence and legal nature of filing a claim in a civil process. The author critically evaluates the traditional view of filing a lawsuit as one procedural action that triggers the entire mechanism of protection of violated rights, freedoms, or interests in civil proceedings. Taking into account the need to observe the established procedure for the exercise of the right to file a claim, the point of view is substantiated that the filing of a claim is a set of procedural actions that determine the realization of the specified subjective procedural right. A list of procedural actions is given, with the help of which the right to file a claim is realized in the established order: the minimum permissible procedural actions and their increased number are determined. Based on this, it is concluded that the filing of a claim in a civil process can be presented in the form of abbreviated or extended legal composition. In the latter case, it is required to perform such a set of procedural actions, which are determined by the nature of the disputed legal relationship, the stated claim and the person of the applicant. Instead, the truncated composition of the lawsuit indicates that the plaintiff has certain procedural benefits. It is indicated that all procedural actions that must be taken by the plaintiff in order to comply with the established procedure for exercising the right to file a claim are mandatory, but their number may be different, depending on the type of legal structure that determines the realization of the right to file a claim. It is noted that despite the numerous procedural actions of the plaintiff, which form the legal structure of the right to file a lawsuit, only one behavior of the plaintiff at the stage of opening a lawsuit will be of decisive importance: submitting a claim statement to the court of first instance. Without this, the previous behavior of the plaintiff (preparation of a statement of claim of the prescribed form and content, payment of a court fee, etc.) will not have legal significance, since it does not indicate the will of the person to seek legal protection.

A synergistic experimental and theoretical study elucidating the electronic and thermal properties in spinel CuInSnS4

Quaternary chalcogenides of different structure types continue to be of interest due to the novel physical properties they exhibit and for applications ranging from optoelectronics to energy-related technologies. Herein we report on the electronic and thermal properties of spinel CuInSnS4. UV–vis–NIR spectroscopy indicates strong absorption in the visible-light region with an indirect bandgap of 1.52 eV. First-principles computations corroborate our experimental data and reveal that the band-edge electronic properties are due to strong p−d and s−p hybridization and antibonding interactions. Analyses of temperature-dependent thermal properties together with first principles simulations reveal strong anharmonicity and low-lying optical branches that hybridize with the acoustic modes effectively suppressing thermal conductivity. This intrinsically very low thermal conductivity is much lower than that of related chalcogenides. Our findings are discussed in the light of ongoing interest in quaternary metal chalcogenide materials and may aid in the development of this and similar chalcogenides for applications of interest.

First principles investigation of Li[formula omitted]Si and Li[formula omitted]Sn alloys: Unraveling atomic-scale influences on material properties

Commercial batteries have currently reached their peak specific capacity, which proves insufficient for the ongoing global energy transition. Consequently, there has been a surge of interest in developing new materials over the last decade, especially those based on silicon (Si) and tin (Sn), known for their high capacity. Despite numerous publications highlighting the advantages of these materials, crucial questions remain regarding volume expansion that must be addressed to propose effective solutions and facilitate their widespread commercial application. In this study, density functional theory was employed to investigate the formation of LixM (M = Si, Sn). Our analysis delves into crystal (c-LixM), amorphous (a-LixM), and amorphous slab (s-LixM) configurations during structural optimization calculations, with the aim of comparing and contrasting relevant findings. The exploration encompasses energetic aspects, volume expansion, and electronic properties. The obtained data enables the simulation of lithiation potential curves for each structural type, directly comparable with experimental results of these materials functioning as anodes in lithium-ion batteries. Notably, the volume expansion of a-LixM exhibits non-linear behavior, correlating with characteristic plateaus in the voltage profile curves.

Effects of design and manufacturing deviations on compressive properties of glass sponge lattice structures manufactured by selective laser melting

Bio-inspiration offers researchers innovative perspectives and methodologies, stimulating the advancement of high-performance, high-durability, and added-value materials, structures, and products. Inspired by the lightweight, high-strength, and highly stable glass sponges (GSs), five types of glass sponge lattice structures (GSLSs) were successfully designed and manufactured by selective laser melting (SLM) with Ti6Al4V. By conducting a comparative analysis of unit cell design and manufacturing deviations, we assess their impact on the compressive properties of GSLSs. Notably, the original GSLS with circle-/grid-like heterogeneous geometries exhibits outstanding overall compression performance, including stability, stress dispersion and unique cell-by-cell and layer-by-layer fracture mechanisms among GSLSs, which are attributable to their reinforced diagonal struts and heterogeneous unit cells. Hence, three strategies for unit cell design and optimization were proposed. These discoveries guide the future design and optimization of lattice structures (LSs) and offer potential applications for GSLSs in aerospace, biomedicine, automobiles, architecture, and wearable products.

Morphometric and structural parameters of impact craters in Algeria: Control of sedimentary target rocks and effect of post impact process

The Earth Impact Database (EID) currently includes four impact craters located in Algeria. These craters are well-exposed, morphologically visible, partially covered and all situated in a vast, very arid Saharan geological domain devoid of any vegetation cover. Consequently, they can be easily identified using the TanDEM-X digital elevation model and Alsat-1B satellite images. The aim of this work is to identify the characteristics of sedimentary target rocks that control the morphometric and structural parameters of Algerian craters, as well as the effects of post-impact processes. Crater exposure, type, and structure (depth-diameter ratio, rim-to-floor height, central peak and moat diameters), outline (circular, polygonal, elongated) and impactite types are therefore discussed. Relative or stratigraphic dating and erosion/burial rates are estimated for the craters. Results indicate that Amguid and Talemzane are simple, well-preserved young craters, closer to a pristine state. Tin Bider is a complex exposed structure showing an irregular outline with a well-developed central peak and two rings. Ouarkziz is a transitional crater; based on its diameter alone it is classified as a complex crater; however, a topographic central peak is not observed. A deep formation uplift is detected in the central zone, interpreted as a stratigraphic peak where the uplift has not reached significant heights to form a clearly visible peak. This may be due to the reduced diameter of Ouarkziz, which is smaller than what has always been described.

Load-Bearing Performance of a Reinforced Fill Structure with Pile Penetration

Load-Bearing Performance of a Reinforced Fill Structure with Pile Penetration