Materials Science Research Articles

Selective Synthesis of Mono- and Bis-Phosphorylated (Dihydro)pyrans via TMSCl-Mediated Cascade Phosphorylation Cycloisomerization of Enynones.

A chlorotrimethylsilane (TMSCl)-mediated cascade phosphorylation and cycloisomerization of enynones with diphenylphosphine oxides is presented. This methodology enables the highly selective synthesis of monophosphorylated 2H-pyrans and bisphosphorylated dihydropyrans through precise solvent-reagent stoichiometry control. The strategy demonstrated excellent functional group compatibility and high yields (up to 96%), providing facile access to structurally diverse phosphorylated heterocycles with potential applications in medicinal chemistry and materials science.

Design of a Human Muscle-Powered Flying Machine

This study explores the design and development of a human-powered aircraft (HPA), leveraging modern engineering techniques, materials science, and advanced CAD/CAM tools. The project addresses key aspects of aircraft design, including the geometry of wings and tail, control and power transmission mechanisms, propeller selection, and material identification to achieve ultra-lightweight construction. The 3DExperience platform facilitated comprehensive model creation, simulation, and production process development, while XFLR5 was employed for aerodynamic profile analysis using the vortex lattice and panel methods. JavaProp aided in evaluating propeller thrust and power requirements. Computational fluid dynamics (CFD) simulations using the SST k-ω turbulence model provided critical insights into flow behavior. The design was found to be theoretically capable of flight, although challenges arose in selecting appropriate software for aerodynamic analysis, leading to the use of XFLR5 for early-stage design and the more advanced 3DExperience platform for final evaluations. Although structural strength analyses were not performed due to the complexity of composite materials, future work in this area could enhance the precision of component selection and aircraft mass estimation.

Multichannel Carbon Nanofibers: Pioneering the Future of Energy Storage.

Multichannel carbon nanofibers (MCNFs), characterized by complex hierarchical structures comprising multiple channels or compartments, have attracted considerable attention owing to their high porosity, large surface area, good directionality, tunable composition, and low density. In recent years, electrospinning (ESP) has emerged as a popular synthetic technique for producing MCNFs with exceptional properties from various polymer blends, driven by phase separation between polymers. These interactions, including van der Waals forces, covalent bonding, and ionic interactions, are crucial for MCNF production. Over time, the applications of MCNFs have expanded, making them one of the most intriguing topics in material research. MCNFs with tailored porous channels, controllable dimensions, confined spaces, high surface areas, designed architectures, and easy electrolyte access to active walls are considered optimal for electrochemical energy storage (EES) technologies. This review provides an exhaustive overview of the working principle, synthesis methods, and structural properties of MCNFs, and examines their advantages, limitations, and potential for producing multichannel architectures. Furthermore, this review explores the relationship between the composition of MCNF electrode materials for EES devices (supercapacitors and batteries) and their electrochemical performance. This review also addresses future directions and challenges in the development and utilization of MCNFs and provides insights into potential research avenues for advancing this exciting field.

Advancements in calixarene-protected titanium-oxo clusters: from structural assembly to catalytic functionality.

This review explores calixarenes, a prominent family of third-generation supramolecules celebrated for their distinct hollow, cavity-shaped structures. These macrocycles are intricately assembled by linking multiple phenolic units orthogonally through methylene (-CH2-), sulfur (-S-), or sulfonyl (-SO2-) bridges. This structural framework plays a pivotal role in the intricate assembly of nanoclusters, significantly advancing the field of cluster chemistry. A key focus of current research is the remarkable ability of calixarenes to stabilize titanium-oxo clusters. Our review details the application of calixarenes in constructing titanium-oxo cluster structures, emphasizing how these clusters, when encapsulated within calixarenes, exploit flexible coordination sites for structural modifications and serve as foundational units for more complex assemblies. Additionally, we investigate how these calixarene-stabilized metal-oxo clusters function as versatile scaffolds for catalytically active metal ions, facilitating the creation of bimetallic nanoclusters. These clusters not only exhibit unique structural diversity but also demonstrate exceptional catalytic efficiency. This review aims to inspire ongoing exploration and innovation in the use of calixarenes for the synthesis and application of advanced cluster materials.

The Application of Dewey Decimal System in Traditional Libraries

The Dewey Decimal System, created by Melvil Dewey in the late 19th century, has been a linchpin of traditional library classification systems for well over a century. This abstract provides a concise overview of the historical significance, principles, and enduring relevance of the Dewey Decimal System in traditional library settings. The Dewey Decimal System revolutionized the way libraries organized their collections, simplifying the process of locating and accessing books and materials. This paper traces the historical development of the Dewey Decimal System and its profound impact on traditional library cataloging and information retrieval. Key principles, such as the use of decimal notation and hierarchical classification, are explored in detail, highlighting their pivotal role in enhancing library management efficiency. Despite its enduring utility, this abstract also acknowledges the system's limitations. Traditional libraries have faced significant challenges in adapting the Dewey Decimal System to accommodate digital resources, multimedia materials, and non - traditional formats. Furthermore, questions have arisen regarding the system's cultural biases and its ability to adequately represent the diversity of knowledge and perspectives. In today's digital age, traditional libraries confront a unique set of challenges, necessitating a reevaluation of the Dewey Decimal System's role and adaptability. This abstract underscores the ongoing dialogue surrounding the system's relevance and its capacity to meet the evolving needs of modern libraries and information seekers. In conclusion, the Dewey Decimal System remains a cornerstone of traditional library organization, albeit with notable adaptational challenges. This abstract serves as a foundation for understanding the historical and contemporary significance of the Dewey Decimal System within the context of traditional libraries, setting the stage for a more comprehensive examination of its impact and future prospects in the full paper.

Atomistic study of selenium doping effects on the mechanical properties of zinc-blende and wurtzite CdTe nanowires

CdSexTe1–x semiconductor materials, having potential to be used to design dependable and reproducible nanowire devices, require an extensive study of their mechanical behaviors. The uniaxial tensile deformation mechanism of CdSexTe1–x nanowires (NWs) with different Se dopant concentration are yet to be explored. By integrating theoretical analysis with computational simulation, this research demonstrated that Se doping in CdTe NWs influences the mechanical response and failure modes. Ultimate tensile strength (UTS) and elastic modulus (EM) were studied for both zinc-blende (ZB) and wurtzite (WZ) structures with different crystal orientations. The findings revealed that these mechanical properties increase linearly with increasing Se concentration in all cases. In addition, the WZ structures exhibited similar mechanical properties under both zigzag and armchair loadings, unlike the ZB structures, which exhibited a strong dependence on the crystal orientation. The [111]-oriented ZB structures showed the highest EM and UTS whereas [100]-oriented ZB structures showed lowest EM and UTS. The failure mechanism was explored for CdSe50Te50 to underscore the influence of the dopant on the NWs failure for tensile loading. In both the cases of WZ structure, the failure planes were perpendicular to the loading direction. Furthermore, the failure plane varied with the Se content in ZB CdSexTe1–x. Atomic coordination and bond length affected by doping defined the alterations of mechanical properties and the preferred modes of failure. The significance of the interaction between doping elements and nanowire structures offers insights that unite material science and mechanics, contributing to the scientific understanding of solid materials’ behavior.

Recent Progress in Computational Materials Science Boosting Development of Rechargeable Batteries

Recent Progress in Computational Materials Science Boosting Development of Rechargeable Batteries

Recent advances in wave-driven triboelectric nanogenerators: from manufacturing to applications

Abstract The ocean is the largest reservoir of renewable energy on earth, in which wave energy occupies an important position due to its high energy density and extensive distribution. As a cutting-edge technology, wave-driven triboelectric nanogenerators (W-TENGs) demonstrate substantial potential for ocean energy conversion and utilization. This paper provides a comprehensive review of W-TENGs, from materials manufacturing and structural fabrications to marine applications. It highlights the versatility in materials selection for W-TENGs and the potential for unique treatments to enhance output performance. With the development of materials science, researchers can manufacture materials with various properties as needed. The structural design and fabrication of W-TENGs is the pillar of converting wave energy to electrical energy. The flexible combination of TENG’s multiple working modes and advanced manufacturing methods make W-TENGs’ structures rich and diverse. Advanced technologies, such as three-dimensional printing, make manufacturing and upgrading W-TENGs more convenient and efficient. This paper summarizes their structures and elucidates their features and manufacturing processes. It should be noted that all efforts made in materials and structures are aimed at W-TENGs, having a bright application prospect. The latest studies on W-TENGs for effective application in the marine field are reviewed, and their feasibility and practical value are evaluated. Finally, based on a systematic review, the existing challenges at this stage are pointed out. More importantly, strategies to address these challenges and directions for future research efforts are also discussed. This review aims to clarify the recent advances in standardization and scale-up of W-TENGs to promote richer innovation and practice in the future.

Ingesting digital archives into long-term storage system through free open-source software in South Africa

Purpose In South Africa, public institutions face challenges in transitioning their digital records to trusted digital repositories due to a deficiency in skills, infrastructure and systems. Free and open-source software (FOSS) presents a viable solution for facilitating the transfer of digital archives for permanent preservation. Despite the existence of FOSS policy in South Africa, the public sector has yet to fully use it to engage in the development and implementation of products for records management and archive preservation using open-source software. This study aims to explore the ingestion of digital archives into an approved long-term storage system through FOSS in South Africa with the view of developing a framework. Design/methodology/approach The study adopted a qualitative research approach to collect data through interviews with purposively selected participants (records managers, archivists and IT officials) from national government departments that have implemented records management systems for digital curation of archives, as well as the National Archives and Records Services of South Africa (NARSSA), which regulates archives and records management, and the State Information Technology Agency, which regulates information technology in government. Findings The findings of the study suggest that the systematic transfer of digital materials from public entities to NARSSA, as required by statute, has not taken place. Research limitations/implications The study specifically targeted national government departments that have implemented digital archives and records management systems. Consequently, perspectives from departments that have not implemented these solutions were excluded. Originality/value A framework is proposed for the transfer of digital archives, using interoperable FOSS, from government agencies responsible for records management to NARSSA for archival preservation. This framework, it is hoped, will facilitate infrastructure and skills development in the management of records and preservation of archives through open platforms.

Alternative Strategy for Development of Dielectric Calcium Copper Titanate-Based Electrolytes for Low-Temperature Solid Oxide Fuel Cells

HighlightsDielectric CaCu3Ti4O12 (CCTO) was used as electrolyte in low-temperature solid oxide fuel cells for the first time.A new heterostructure electrolyte was designed based on CCTO and Ni0.8Co0.15Al0.05LiO2−δ (NCAL). Promising ionic conductivity and high fuel cell performance were achievedCCTO–NCAL realized an electrolyte function due to its good dielectric property and a heterojunction effect.

MicroGravity Explorer Kit (MGX): An Open-Source Platform for Accessible Space Science Experiments

The study of microgravity, a condition in which an object experiences near-zero weight, is a critical area of research with far-reaching implications for various scientific disciplines. Microgravity allows scientists to investigate fundamental physical phenomena influenced by Earth’s gravitational forces, opening up new possibilities in fields such as materials science, fluid dynamics, and biology. However, the complexity and cost of developing and conducting microgravity missions have historically limited the field to well-funded space agencies, universities with dedicated government funding, and large research institutions, creating a significant barrier to entry. This paper presents the MicroGravity Explorer Kit’s (MGX) design, a multifunctional platform for conducting microgravity experiments aboard suborbital rocket flights. The MGX aims to democratize access to microgravity research, making it accessible to high school students, undergraduates, and researchers. To ensure that the tool is versatile across different scenarios, the authors conducted a comprehensive literature review on microgravity experiments, and specific requirements for the MGX were established. The MGX is designed as an open-source platform that supports various experiments, reducing costs and accelerating development. The multipurpose experiment consists of a Jetson Nano computer with multiple sensors, such as inertial sensors, temperature and pressure, and two cameras with up to 4k resolution. The project also presents examples of codes for data acquisition and compression and the ability to process images and run machine learning algorithms to interpret results. The MGX seeks to promote greater participation and innovation in space sciences by simplifying the process and reducing barriers to entry. The design of a platform that can democratize access to space and research related to space sciences has the potential to lead to groundbreaking discoveries and advancements in materials science, fluid dynamics, and biology, with significant practical applications such as more efficient propulsion systems and novel materials with unique properties.

Aptamers: precision tools for diagnosing and treating infectious diseases

Infectious diseases represent a significant global health challenge, with bacteria, fungi, viruses, and parasitic protozoa being significant causative agents. The shared symptoms among diseases and the emergence of new pathogen variations make diagnosis and treatment complex. Conventional diagnostic methods are laborious and intricate, underscoring the need for rapid, accurate techniques. Aptamer-based technologies offer a promising solution, as they are cost-effective, sensitive, specific, and convenient for molecular disease diagnosis. Aptamers, which are single-stranded RNA or DNA sequences, serve as nucleotide equivalents of monoclonal antibodies, displaying high specificity and affinity for target molecules. They are structurally robust, allowing for long-term storage without substantial activity loss. Aptamers find applications in diverse fields such as drug screening, material science, and environmental monitoring. In biomedicine, they are extensively studied for biomarker detection, diagnostics, imaging, and targeted therapy. This comprehensive review focuses on the utility of aptamers in managing infectious diseases, particularly in the realms of diagnostics and therapeutics.

First Alliance of Pyrazole and Furoxan Leading to High-Performance Energetic Materials.

Nitrogen heterocyclic scaffolds retain their leading position as valuable building blocks in material science, particularly for the design of small-molecule energetic materials. However, the search for more balanced combinations of directly linked heterocyclic cores is far from being exhausted and aims to reach ideally balanced high-energy substances. Herein, we present the synthetic route to novel pyrazole-furoxan framework enriched with nitro groups and demonstrate a promising set of properties, viz., good thermal stability, acceptable mechanical sensitivity, and high detonation performance. In-depth crystal analysis showed that the isomers having lower-impact sensitivity values in both types of regioisomeric pairs are those with the exocyclic furoxan oxygen atom being closer to the pyrazole ring. Owing to the favorable combination of high crystal densities (1.83-1.93 g cm-3), positive oxygen balance to CO (up to +13.9%), and high enthalpies of formation (322-435 kJ mol-1), the synthesized compounds show high calculated detonation velocities (8.4-9.1 km s-1) and excellent metal accelerating abilities. The incorporation of the 3-nitrofuroxan moiety increases the thermal stability (by ca. 20 °C) and decreases the mechanical sensitivity of target hybrid materials in both types of regioisomeric pairs. Simultaneously, the detonation performance of 3-nitrofuroxans is almost identical to that of 4-nitrofuroxans, highlighting the potential of the regioisomeric tunability in the future design of energetic materials.

Refractive Index Resolved Imaging Enabled by Terahertz Time-Domain Spectroscopy Ellipsometry

AbstractMaterial characterization in the terahertz range is an interesting topic of research due to its great applications in material science, health monitoring, and security applications. Advances in terahertz generation, detection, and data acquisition have contributed to improved bandwidth, signal power, and signal-to-noise ratio. This enables advanced material characterization methods such as ellipsometry, which has been little explored in the terahertz frequency range, yet. Here, we introduce a comparison between material characterization with terahertz time-domain spectroscopy in transmission geometry and ellipsometry reflection geometry. Terahertz ellipsometry images were taken, showing spatially resolved refractive index estimation in the far field and higher image quality compared to single-polarization imaging.

Brazilian bentonite/MgO composites for adsorption of cationic and anionic dyes.

Industrial effluents, especially those containing dyes, have become the main cause of contamination of water resources. In this context, Brazilian bentonite/MgO composites, with excellent adsorptive properties, were prepared and investigated for their effectiveness in removing cationic and anionic dyes from aqueous solutions. The new adsorbents were obtained using Brazilian bentonites and MgO using the mechanochemical method followed by heat treatment (at 700°C for 4h). Different characterization techniques were used for the chemical, mineralogical, thermal, surface, and morphological analysis of the raw clays and the composites. The experimental adsorption isotherms were quantified under different conditions of initial concentration, contact time, pH, adsorbent dosage, and temperature variation to interpret the adsorption mechanism of the crystal violet (CV) and Congo red (CR) dyes. The modeling results were obtained from the empirical Sips equation and Pseudo Second Order (PSO) kinetics, indicating that the adsorption of molecules is a heterogeneous phenomenon that occurs in a monolayer on the surface (ns > 1), with the adsorption rate determined by chemisorption. The composites showed the best removal efficiency performance compared to the raw bentonites, with an increase of 12% for the CV dye and 46% for the CR dye. In addition, the qmax values obtained were 423.02mg/g and 479.86mg/g (AM01). This research underscores the potential of Brazilian bentonite/MgO composites as a promising solution for the removal of cationic and anionic dyes from water, offering hope for future applications in the field of environmental engineering and materials science.

Changes in the levels of cytokines IL-1β, IL-4, IL-8, and IL-10 in dental orthopedic fixed prosthetics

Despite significant advances in materials science, introduction of new methods and principles of prosthetic treatment into the practice of dentists, complications after prosthetics with fixed structures are encountered. The result of dental prosthetics of patients with defects of hard tissues of teeth depends not only on the chosen construction and materials from which they are made, but is closely connected with the functional activity of the immune system. Cytokines are an important factor of mucosal immunity. The cytokine system represents one of the key components of mucosal immunity. It regulates normal physiological functions, restoration of haemostasis in the interaction of physical, chemical and biological factors on the body and participates in the pathogenesis of allergic, autoimmune, and autoinflammatory processes. The aim of the study is to compare the content of IL-1â, IL-8, IL-10, and IL-4 in unstimulated saliva and gingival fluid in patients during adaptation to metal-ceramic and oxide ceramic tooth-supported constructions. In the period from 2021-2024, we examined 3 groups of patients aged 46±2 years: group 1 – comparison group, patients without dental constructions in the oral cavity (25 people); group 2 – patients treated with tooth-supported metal-ceramic (MC) crowns (25 people); and group 3 – patients treated with tooth-supported zirconium dioxide (ZrO2) crowns (25 people). On the basis of IL-1â, IL-8, IL-10, and IL-4 we concluded that the mucosal immunity of oral mucous membranes is less affected by the structures made of oxide ceramics compared to the crowns made of metal-ceramics. Similar patterns of changes in the levels of IL-1â, IL-8, and IL-4 in saliva and gingival fluid in patients who underwent dental rehabilitation were found, which allows us to use only saliva in order to eliminate the complexity and specificity of gingival fluid sampling. Also, changes in cytokine indices in saliva and gingival fluid at different stages of prosthodontics reflect the level of reaction of oral mucosal immunity, which can serve as a criterion of the quality of the performed dental treatment.

Feedback-based quantum algorithms for ground state preparation

The ground state properties of quantum many-body systems are a subject of interest across chemistry, materials science, and physics. Thus, algorithms for finding ground states can have broad impacts. Variational quantum algorithms are one class of ground state algorithms that has received significant attention in recent years. These algorithms utilize a hybrid quantum-classical computing framework to prepare ground states on quantum computers. However, this requires solving a classical optimization problem that can become prohibitively expensive in high dimensions. Here, we develop formulations of feedback-based quantum algorithms for ground state preparation that can be used to address this challenge for two broad classes of Hamiltonians: Fermi-Hubbard Hamiltonians, and molecular Hamiltonians represented in second quantization. Feedback-based quantum algorithms are optimization-free; in place of classical optimization, quantum circuit parameters are set according to a deterministic feedback law derived from quantum Lyapunov control principles. This feedback law guarantees a monotonic improvement in solution quality with respect to the depth of the quantum circuit. A variety of numerical illustrations are provided that analyze the convergence and robustness of feedback-based quantum algorithms for these problem classes. Published by the American Physical Society 2024

Advancements in Lithium-Ion Battery Technology

Lithium-ion (Li-ion) batteries are at the forefront of modern energy storage technologies due to their high energy density, long cycle life, and relatively low self-discharge rate. Recent advancements in materials science, battery management systems, and fabrication techniques have significantly improved the performance, safety, and sustainability of Li-ion batteries. This paper explores the latest developments in lithium-ion technology, including high-capacity anode and cathode materials, solid-state electrolytes, and next-generation designs, while also addressing the challenges and future directions for research and application.

Marketing Activities as a Factor of Health Facility Stability

Background. Marketing is one of the most difficult tasks in the healthcare business, because it requires a deep understanding of both the specifics of medical services and consumer expectations. Marketing strat-egies should be carefully planned and adapted to the unique characteristics of the industry, as consumers expect to receive a wide range of high-quality medical services. The specifics of the healthcare sector and the ethical, legal, and operational issues hinder the use of marketing tools. At the same time, successful medical marketing depends on the use of advanced tools and the constant monitoring of their effectiveness. Purpose. To consider the main factors of marketing strategy and plan development in healthcare and to offer practical recommendations for successfully promoting medical services.Materials and methods. The authors used general scientific research methods. The data from scientific peer-reviewed journals and analytical reports were synthesized and analyzed. The research materials on the management and development of marketing activities in healthcare organizations and the impact of market-ing activities on the effectiveness, stability, and sustainability of the subjects of the medical services market were analyzed.Results. The marketing of medical services includes a wide range of advanced tools and practices that con-stantly require attention and performance monitoring. Healthcare is an extremely complicated industry with features directly related to the development of effective marketing strategy and plan.

Solar-Driven Evaporator With "Starburst Turbine" Design Featuring Directional Salt Crystallization, Antibacterial, and Catalytic Multifunctionality for Efficient Water Purification.

Facing the global challenge of water scarcity, solar-driven desalination is considered a sustainable technology for obtaining freshwater from seawater. However, issues such as uncontrolled salt crystallization and bacterial contamination limit its efficiency and practicality. This study proposes an innovative solar-driven evaporator designed to address these challenges using optimized shape design and advanced photothermal materials. Based on finite element analyses, cylindrical evaporators with a "Starburst Turbine" shape are designed and fabricated, achieving directional salt crystallization and a record-breaking water collection rate of 3.56kg m-2 h-1 and an evaporation rate of 4.57kg m-2 h-1 under one sun illumination. During continuous 60-h illumination tests, the evaporator maintained a stable evaporation rate, attributed to its excellent directional salt crystallization capability. Additionally, the evaporator demonstrates superior photodynamic antibacterial performance and photocatalytic degradation of organic pollutants. Under one sun illumination for 1 h, it achieves 100% sterilization of S. aureus and E. coli, and a 95.4% degradation of methylene blue (MB), demonstrating its potential to purify various wastewater types. These findings underscore the significant scientific and practical value of integrating antibacterial and photocatalytic functions into solar water purification materials, providing a sustainable solution to global water scarcity challenges and environmental protection.