Structural Characteristics Research Articles

Decoding the mechanical characteristics of the human anterior cruciate ligament entheses through graduated mineralization interfaces

The anterior cruciate ligament is anchored to the femur and tibia via specialized interfaces known as entheses. These play a critical role in ligament homeostasis and joint stability by transferring forces, varying in magnitude and direction between structurally and functionally dissimilar tissues. However, the precise structural and mechanical characteristics underlying the femoral and tibial entheses and their intricate interplay remain elusive. In this study, two thin-graduated mineralization regions in the femoral enthesis (~21 μm) and tibial enthesis (~14 μm) are identified, both exhibiting distinct biomolecular compositions and mineral assembly patterns. Notably, the femoral enthesis interface exhibits progressively maturing hydroxyapatites, whereas the mineral at the tibial enthesis interface region transitions from amorphous calcium phosphate to hydroxyapatites with increasing crystallinity. Proteomics results reveal that Matrix Gla protein uniquely enriched at the tibial enthesis interface, may stabilize amorphous calcium phosphate, while C-type lectin domain containing 11 A, enriched at the femoral enthesis interface, could facilitate the interface mineralization. Moreover, the finite element analysis indicates that the femoral enthesis model exhibited higher resistance to shearing, whereas the tibial enthesis model contributes to tensile resistance, suggesting that the discrepancy in biomolecular expression and the corresponding mineral assembly heterogeneities collectively contribute to the superior mechanical properties of both the femoral enthesis and tibial enthesis models. These findings provide novel perspectives on the structure-function relationships of anterior cruciate ligament entheses, paving the way for improved management of anterior cruciate ligament injury and regeneration.

Theoretical Investigation of Interconversion Pathways and Intermediates in Hydride/Silyl Exchange of Niobocene Hydride–Silyl Complexes: A DFT Study Incorporating Conformational Search and Interaction Region Indicator (IRI) Analysis

Niobocene hydride–silyl complexes exhibit intriguing structural characteristics with the potential for direct hydride/silyl exchange, where hydride migration plays a crucial role during conformational interconversion. In this study, quantum chemical calculations were utilized to investigate the transformation pathways involved in hydride/silyl exchange in niobocene trihydride complexes with various dichlorosilanes, including SiCl2Me2, SiCl2iPr2, and SiCl2MePh ligands. The conformational changes and hydride shifts within these niobocene hydride–silyl complexes were examined, and key intermediates were identified. Electronic wavefunction analysis provided insights into the coordination configurations and the nature of inter-ligand interactions. Interaction region indicator (IRI) analysis revealed Van der Waals interactions between chloride atoms and cyclopentadienyl rings, as well as between chloride atoms and Me, iPr, and Ph groups. Notably, distinct interactions between hydride ligands, including those from Si-H moieties and coordinated hydrogen atoms, were observed. Both lateral and central conformations, with respect to silicon coordination to the niobium center, were considered. This study enhances the understanding of intermediate conformations in the hydride/silyl exchange process and provides a detailed characterization of inter-ligand interactions, offering valuable insights for analyzing metallocene complexes with organic ligand coordination.

Review on polymer electrolytes for lithium‐sulfurized polyacrylonitrile batteries

AbstractLithium‐sulfur (Li‐S) batteries are deemed as the next generation of energy storage devices due to high theoretical specific capacity (1675 mAh g−1) and energy density (2600 Wh kg−1). However, the commercial application has always been constrained by lithium polysulfide (LiPSs) shuttling effects and still has a long way to go. Sulfurized polyacrylonitrile (SPAN) is a promising alternative candidate to replace traditional sulfur cathode and is conducive to eliminating LiPSs by realizing “solid‐solid” direct conversion in conventional carbonate electrolytes. However, an over 25% irreversible capacity loss is exhibited inevitably in the first discharge process, the inherent structure of SPAN and the related reaction mechanism remain unclear. In this review, the structure characteristics and electrochemical behaviors of SPAN are summarized for better interpreting current knowledge and favoring the design of high performance materials. In the past few decades, many problems in traditional Li‐S batteries have been solved by improving electrolytes. Polymer electrolytes (PEs) have been widely used due to structural designability, multi‐functionality, exceptional chemical stability, and excellent processability. Surprisingly, the relevant researches on PEs compatible with SPAN remains limited currently. Therefore, the recent modification strategies of gel polymer electrolytes and solid polymer electrolytes in Li‐SPAN batteries are introduced in terms of Li+ transfer and interface engineering, the design principles are concluded, the specific challenges encountered by polymer‐based electrolytes are summarized and the instructive directions for future research on PEs are demonstrated, facilitating the commercialization of Li‐SPAN batteries.

Iron and steel workers acquiring a factory in exchange for a single coin: a genuine people’s sector

ABSTRACT The iron and steel industry, a cornerstone of industrialization, is vital for economic growth and infrastructure development, particularly in Turkey, where it has been central to industrial policy. This study explores how the Karabük Iron and Steel Factories, known as ‘the factory of factories,’ were transferred to workers for a symbolic price of 1 Turkish Lira (TL) following worker protests against privatization. The study focuses on the strong labor movement and social cohesion among the iron and steel workforce, using the 8 November 1994, protests as a case study. It evaluates how the structural characteristics, societal concerns, and outcomes of these protests differ from other labor movements. By highlighting these differences, the study aims to contribute to the literature on labor movements and protest dynamics. The November 8 protests were significant in raising awareness of workers’ rights and union struggles through media and public attention, while also shedding light on the state and public authorities’ strategies for maintaining social order. Moreover, the study links the achievements of these protests to the concept of the people’s sector. One key conclusion is the relationship between the iron and steel sector and the people’s sector, emphasizing the role iron and steel workers have played in fostering social stability and solidarity.

Study on vortex structure and hydrodynamic characteristics of water-exit projectile with shoulder ventilation

During the vertical motion of a water-exit projectile, the gas stored inside is expelled from the shoulder under the effect of pressure differential, forming a ventilated cavity covering the surface of the projectile. This paper explores the vortex structure characteristics of the surface ventilated cavity through numerical simulation and summarizes its impact on the hydrodynamic characteristics of the water-exit projectile. It was found that the end of the shoulder ventilated cavity presents a periodic vortex shedding form. And the existence of the shoulder ventilated cavity can reduce the vertical resistance of the projectile, improve the vertical movement speed, and play a role in load reduction and drag reduction. Additionally, the lateral displacement of the projectile at the moment of water exit decreases by approximately 45.2%, and the deviation angle reduces by about 55.6%, significantly improving the stabilization of its water exit posture. This indicates that the presence of the shoulder ventilated cavity can effectively enhance the hydrodynamic performance of the projectile.

Inverse dynamics analysis of 4-DOF stacking robot with closed chain structure

A four-degree-of-freedom PR1300 stacking robot with two parallel quadrilateral structures connected in series at the shoulder was designed. The hybrid robot with local closed chains has the characteristics of compact structure, high stiffness, and high modularity. To solve the dynamic problem of the hybrid robot. Firstly, by analyzing the induced relationship between joints, the stacking robot with a local closed chain structure is transformed into two branch chain mechanisms, and the kinematic model of the robot is established using the D-H parameter method. Secondly, the Kane method is applied to model the dynamics of the two branch chains separately, and the rigid body dynamics Kane equation of the entire 4-DOF stacking robot with a closed chain structure is obtained through the augmented matrix. Finally, the SolidWorks Motion mechanical simulation platform and MATLAB software were used to program dynamic simulations and numerical calculations, and the results were compared to verify the correctness of the dynamic theory derivation. This theory provides a necessary theoretical basis for the subsequent synthesis of robot dynamic scales.

Modal analysis of plates resting on elastic foundation based on the first-order shear deformation theory and finite element method

This paper investigates the free vibration characteristics of plate structures supported by a Pasternak elastic foundation, utilizing the first-order shear deformation theory (FSDT). FSDT simplifies the plate theory by considering only first-order shear deformation, enhancing formulation simplicity. Additionally, employing plate theory reduces computational complexity, as 2D models entail fewer degrees of freedom compared to their 3D counterparts. The finite element method (FEM) with 8-node quadrilateral element is employed for computational analysis, implemented using MATLAB. First, a comparison is made with some existing data to show the accuracy and reliability of the research. Numerical examples are then presented of the influence of the effects of thickness variation, foundation parameters and boundary conditions on frequency are investigated. The results show that the method converges very fast and reliability when compared to other research findings. The results of the research can be applied to many different engineering applications related to plates resting on elastic foundation.

Time-Dependent Comparison of the Structural Variations of Natural Products and Synthetic Compounds

The identification of natural products (NPs) has played a pivotal role in drug discovery and shaped the evolution of synthetic compounds (SCs). However, the extent to which NPs have historically influenced the structural characteristics of SCs remains unclear. In this study, we conducted a comprehensive, time-dependent chemoinformatic analysis to investigate the impact of NPs on the structural evolution of SCs. The physicochemical properties, molecular fragments, biological relevance, and chemical space of the molecules from the Dictionary of Natural Products were compared in a time series fashion with a synthetic compound collection sourced from 12 databases. Our findings reveal that NPs have become larger, more complex, and more hydrophobic over time, exhibiting increased structural diversity and uniqueness. Conversely, SCs exhibit a continuous shift in physicochemical properties, yet these changes are constrained within a defined range governed by drug-like constraints. SCs possess a broader range of synthetic pathways and structural diversity, albeit with a decline in biological relevance. The chemical space of NPs has become less concentrated compared to that of SCs. In conclusion, our study suggests that the structural evolution of SCs is influenced by NPs to some extent; however, SCs have not fully evolved in the direction of NPs.

Moisture dynamics during high‐load fluctuations in transformers: Localised accumulation and interfacial transfer within oil/pressboard insulation

AbstractPower systems grapple with the challenges of high load rates and intermittent new energy sources integration. Transformers, as vital equipment, employ oil/pressboard (oil/PB) insulation. Uneven moisture distribution in this insulation can jeopardise safety thresholds, necessitating precise moisture assessment for grid stability. A novel mathematical model, adsorption–desorption and porous media moisture transfer (ADP‐MoT), is presented. This model incorporates adsorption and desorption processes within the porous pressboard, enabling a description of the dynamic moisture transfer between the oil and pressboard. Using this mathematical model, simulations for moisture dynamics were performed on a 750‐kV transformer across four typical days. The results indicate that temperature fluctuations are the primary driving factor for moisture migration at the oil/PB interface. Convection and diffusion contribute to moisture movement towards cooler regions. Fluid properties and structural characteristics induce a distinctive streamline‐shaped moisture flow within horizontal oil channels, with localised moisture accumulation in specific areas. Moreover, the analysis of 96 transient results uncovers potential free‐state moisture formation during severe conditions, underscoring the importance of monitoring the pressboard at winding bases during high load fluctuations. In conclusion, this study significantly contributes to scientifically identifying and addressing risks tied to new energy sources integration in power systems.

Structural Characteristics of Active Quicklime Flux and Optimization of Quasiparticle Granulation Performance in Thick‐Bed Sintering

The deterioration of sintering bed permeability is an important factor that hinders thick‐bed sintering. Flux is one of the key factors that determines the bonding degree of quasiparticles. Selecting high‐quality flux is an effective way to improve both the permeability and thickness of the sintering bed. Herein, the hydration activity of quicklime flux is used as a criterion to assess quality. Two types of quicklimes with different activity levels are selected for comparative analysis in three aspects: microstructure, sinter quasiparticle granulation performance, and the sinter mineralization process. The experimental results show that active quicklime has a higher CaO content and fewer impurities. The small and dense CaO particles give active quicklime significant advantages in raw material granulation and sinter mineral formation. The application of active quicklime can effectively improve the permeability of the sintering bed; notably, the drying fines’ removal rate decreases from 22.81% to 2.42% with an increase in the ratio of active quicklime addition. However, this affects the average particle size of quasiparticles. To address this issue, solutions are determined by adjusting the condition parameters. It is concluded that active quicklime plays an important role in enhancing the permeability of the sintering bed during thick‐bed sintering production.

Effect of glyceryl monopalmitate on the gelatinization, rheological and retrogradation properties of Japonica rice starch.

Starch-based food is easy to retrograde during cold storage after gelatinization, which leads to quality fission and a relatively short shelf life. Some lipids can effectively enhance the storage stability of starch gels by the formation of starch-lipid complexes. The present study aimed to investigate the effects of glyceryl monopalmitate (GMP) on gelatinization, rheological and retrogradation properties of Japonica rice starch (JS) at different conditions and to analyze the correlation between the physical-chemical properties and structural characteristics of the JS-GMP complex. The addition of GMP to JS could retard the process of starch gelatinization through forming JS-GMP complexes. The resulting JS-GMP pastes were typical pseudoplastic fluids with shear thinning, and their solid-like properties were prominent (tan δ < 1). In addition, the retrogradation of JS-GMP complex was more inhibited during storage at -18 than at 4 °C. The added amount of GMP was negatively and highly associated with the minimum viscosity, consistency coefficient, hardness and elasticity, whereas it was positively and highly correlated with the breakdown value, fluid characteristic index and relative crystallinity. The relative crystallinity of JS was affected by GMP in an approximate dose-dependent manner. The addition of GMP can influence the gelatinization properties, rheological properties and retrogradation characteristics of JS, and the formation of JS-GMP complex could improve the quality and storage stability of starch gel, which provides ideas for the quality control of starch-based food. © 2024 Society of Chemical Industry.

The Effect of Doping Zinc Oxide Thin Films With (0.5 wt. %) Carbon Nanotubes by Vacuum Evaporation

The study included the production of nano-thin films made of zinc oxide doped with carbon nanotubes (ZnO:CNTs) at a doping ratio of 0.5 wt%. The materials are applied onto glass substrates using the vacuum evaporation process. The structural characteristics of the thin films of undiluted and doped ZnO were assessed using X-ray diffraction (XRD). Additionally, the surface properties of the films were examined using scanning electron microscopy (SEM) and atomic force microscopy (AFM). The optical characteristics of the thin films were analyzed and described using UV-Vis spectroscopy. The ZnO thin films exhibited crystalline formations. The thin films exhibited significant orientations along the (100), (002), and (101) crystallographic planes, indicating their hexagonal phase structures. The crystal size of ZnO thin films exhibited a range of 30.87 nm to 19.96 nm after the process of doping. The study findings demonstrate that the addition of carbon nanotubes leads to an increase in the absorption ratio. Zinc-doped carbon nanotube thin films has features that make them suitable for many applications, such as gas detectors and UV detectors.

Self-Assembly at Curved Biointerfaces.

Most of the biological interfaces are curved. Understanding the organizational structures and interaction patterns at such curved biointerfaces is therefore crucial not only for deepening our comprehension of the principles that govern life processes but also for designing and developing targeted drugs aimed at diseased cells and tissues. Despite the considerable efforts dedicated to this area of research, our understanding of curved biological interfaces is still limited. Many aspects of these interfaces remain elusive, presenting both challenges and opportunities for further exploration. In this review, we summarize the structural characteristics of biological interfaces found in nature, the current research status of materials associated with curved biointerfaces, and the theoretical advancements achieved to date. Finally, we outline future trends and challenges in the theoretical and technological development of curved biointerfaces. By addressing these challenges, people could bridge the knowledge gap and unlock the full potential of curved biointerfaces for scientific and technological advancements, ultimately benefiting various fields and improving human health and well-being.

In situ atomic observations of aggregation growth and evolution of penta-twinned gold nanocrystals

The twin boundaries and inherent lattice strain of five-fold twin (5-FT) structures offer a promising and innovative approach to tune nanocrystal configurations and properties, enriching nanomaterial performance. However, a comprehensive understanding of the nonclassical growth models governing 5-FT nanocrystals remains elusive, largely due to the constraints of their small thermodynamically stable size and complex twin configurations. Here, we conducted in situ investigations to elucidate the atomic-scale mechanisms driving size-dependent and twin configuration-related aggregation phenomena between 5-FT and other nanoparticles at the atomic scale. Our results reveal that surface diffusion significantly shapes the morphology of aggregated nanoparticles, promoting the symmetrical formation of 5-FT, especially in smaller nanoparticles. Moreover, the inherent structural characteristics of 5-FT mitigate the dominance of surface diffusion in its morphological evolution, retarding the aggregation evolution process and fostering intricate twin structures. These findings contribute to advancing our capacity to manipulate the configuration of twinned particles, enabling more predictable synthesis of functional nanomaterials for advanced engineering applications.

Separate magnetic and structural phase transitions in Mn50-xFexRh50 films grown on MgO

Abstract The investigation of the magnetic and structural characteristic of Mn50-xFexRh50 alloy is of physical importance due to the phase transition behavior. In this study, a series of highly ordered epitaxial films with varying Fe concentrations are grown on MgO (001) substrate. At low Fe concentrations (x=0, 2, 6), a separation between the structural phase transition and magnetic phase transition is observed. Different with the structural phase transition, the temperature-dependent magnetization presents a quite large temperature hysteresis behavior. In addition, the structural transition induces further tetragonal distortion and forms intermediate phase between B2 and L10 structure. This separated magnetic and structural phase transition has been further validated through XRD, anisotropic magnetoresistance and spin pumping measurements. Moreover, with the further increase in the Fe concentration, the Mn50-xFexRh50 films shows ferromagnetic behaviors due to the competitive magnetic exchange interaction, while the structural phase transition is suppressed.

Synthesis and characterization of two asymmetrical 2-cyclohexylsulfenyl-5-alkylsulfenyl[1,3,4]thiadiazoles and study the impact of substituents on the structural features, thermal behavior, and anti-bacterial activity

Regarding the importance of 1,3,4-thiadiazoles due to versatile biological activity and for investigation of the symmetry impact on thermal behavior and antibacterial activity of 2,5-bisalkylsulfenyl[1,3,4]thiadiazole, two new derivatives viz. 2-cyclohexylsulfenyl-5-cyclopentylsulfenyl[1,3,4]thiadiazole and 2-cyclohexylsulfenyl-5-dodecylsulfenyl[1,3,4]thiadiazole, were synthesized through the nucleophilic substitution reaction appropriate alkyl halide with 5-cyclohexyl-3H-[1,3,4]thiadiazole-2-thione in ethanol under reflux conditions. The chemical structure of the products was elucidated by the physical and spectroscopic techniques. After tedious work, the suitable snow-like crystals of 2-cyclohexylsulfenyl-5-dodecylsulfenyl[1,3,4]thiadiazole for single-crystal X-ray diffraction analysis could be isolated from a mixed solvent, namely ethanol and water in volume ratio of 9:1. Then, the influence of symmetry and cyclic or non-cyclic aliphatic substituents on the important structure parameters of the 2,5-bisalkylsulfenyl[1,3,4]thiadiazole derivatives were negligible, however, those structure characteristics were different for 5–cyclohexylsulfenyl–3H–[1,3,4]thiadiazole–2–thione, due to its thione structure. TGA/DTA study demonstrated the effect of the symmetry and van der Waals interaction on thermal stability, and the robust influence of the pseudo hydrogen bonding NH with C = S on the melting and crystallization phase transitions was revealed by DSC analysis. The pharmacokinetics, drug-likeness, medicinal chemistry friendliness, and toxicology of three derivatives of bis-alkylsulfenyl[1,3,4]thiadiazole were evaluated by two prediction tools of SwissADME and T.E.S.T tools predicted good pharmacokinetics, drug-likeness, and anti-toxicant properties in developmental toxicity for the bis-alkylsulfenyl[1,3,4]thiadiazoles and 5–cyclohexylsulfenyl–3H–[1,3,4]thiadiazole–2–thione. Finally, the in vitro antibacterial activity of two new 2-cyclohexylsulfenyl-5-cyclopentylsulfenyl[1,3,4]thiadiazole and 2-cyclohexylsulfenyl-5-dodecylsulfenyl[1,3,4]thiadiazole against S. aureus and E. coli, confirmed them as promising anti-bacterial agent. All obtained results proved that the physicochemical, thermal, pharmacokinetic, and biological properties of 2,5-bisalkylsulfenyl[1,3,4]thiadiazoles can be tuned by selecting appropriate substituents.

Comparative efficiency of Geotrichum candidum microcapsules prepared with alginate and in combination with other polymers: In vitro evaluation

Microencapsulation is utilized to protect probiotics, such as Geotrichum candidum, ensuring their survival, stability, and targeted release. The encapsulation efficiency depends on factors such as the type and concentration of the polymers and the encapsulation method. In this study, G. candidum was encapsulated using alginate (Alg) combined with starch (AlgS) or xanthan (Alg-X) and coated with chitosan aand chitosan nanoparticles (AlgC, Alg-S-C, Alg-X-C, Alg-CN, Alg-S-CN, and Alg-X-CN) using a simple extrusion technique. The structural characteristics and surface morphology of the microcapsules were analyzed using Fourier transform infrared spectroscopy (FT-IR) and scanning electron microscopy (SEM). Encapsulation efficiency (EE) and pH and temperature tolerances were assessed using in vitro assays. SEM results showed that the Alg-CN microcapsules were notably spherical and smooth, in contrast to the irregular and rough textures of the uncoated forms. Notably, Alg-CN exhibited the highest EE (99.3 %), followed by Alg-C (96.6 %) and Alg-X-CN (96.03 %). Moreover, chitosan-coated microcapsules, particularly Alg-CN, demonstrated superior viability at various pH levels and after exposure to 60 °C, along with extended shelf life at room temperature and 4 °C. These findings suggest that a 2 % alginate and 0.4 % chitosan combination is optimal for preserving G. candidum's viability in various applications.

Ilex asprella-derived polysaccharide activates macrophage via TLR4-mediated NF-κB and MAPK signaling pathways

Ilex asprella, a valued herb in China, is recognized for its medicinal and dietary benefits, yet its active components and mechanisms of action have been largely unknown. This study focused on the polysaccharide extracted from Ilex asprella (IAP) and to investigate its structural characteristics and immunomodulatory effects. The results indicated IAP had a molecular weight of 3324 Da and was mainly composed of arabinose, galactose, glucose, and mannose. In vitro study showed 10, 50, and 100 μg/mL of IAP significantly increased the mRNA expression of inducible nitric-oxide synthase, cyclooxygenase-2, reactive oxygen, and cytokines in RAW264.7 macrophages. According to the results, IAP also facilitated the nucleus translocation of NF-κB p65 and activated the phosphorylation of p38, JNK, and ERK, revealing IAP activated RAW264.7 cells via NF-κB and MAPK signaling pathways. Furthermore, the results of membranes receptor inhibitor administration suggested toll-like receptor 4 might be the action target of IAP.

MPFEM investigation on densification and mechanical structures during ferrous powder compaction

Metal powder compaction is a crucial process in powder metallurgy, significantly affecting the final properties of compacts. However, the quantitative characteristics of multi-scale mechanical structures and the microscopic densification behavior, taking into account the influence of friction conditions, remain unclear. This study utilises a two-dimensional multi-particle finite element method to analyse the ferrous powder compaction. The evolution of powder densification, powder deformation and multi-scale mechanical behaviour under different friction coefficient conditions are analyzed quantitatively and qualitatively. Results reveal that powder densification occurs in distinct stages, with lower friction coefficients promoting greater powder densification, as observed from relative density and coordination number. Additionally, as the axial strain increases, plastic strain gradually rises whilst roundness decreases. Higher friction coefficients are associated with higher equivalent plastic strain but lower powder roundness. The Von Mises stress exhibits different stages of increase with the increment of axial strain. Powders with lower friction coefficients exhibit lower levels of Von Mises stress. As axial strain increases, the number, length, strength and direction coefficient of force chains undergo different evolution processes. Force chains exhibit longer length, fewer numbers, lower strength and lower direction coefficients at lower friction coefficients.

Wireless vibration testing and bridge deck damage identification using underneath maintenance walkway

Bridges will inevitably experience structural damage during long-term operation, which will decrease their structural load bearing capacity and durability. The vibration characteristics of bridge structures can be used as evaluation indicators for accurately diagnosing their deterioration. This study aimed at developing a vibration testing method for identifying bridge deck damage that does not affect traffic and is easy to implement. The vibration tests on the in-service bridge revealed it was mainly subjected to vertical vibrations, with the accelerations in the vertical direction about twice those in the horizontal direction. Based on fast Fourier transform analysis, the dominant vertical vibration frequencies were 2.34 Hz, 4.10 Hz, 10.30 Hz, 14.45 Hz and 18.75 Hz. A series of 0.1–0.3 Hz bandpass filters were used with those frequencies at the centers for modal analysis. The experimental results were then compared to the finite element analysis results. This study proposed a vibration-based damage identification method based on the differences between the bridge deck and both main steel girders. The study confirmed the convenience and effectiveness of using underneath maintenance walkways for wireless vibration testing.