Materials Science Research Articles

Microbial Dynamics in Periodontal Regeneration: Understanding Microbiome Shifts and the Role of Antifouling and Bactericidal Materials: A Narrative Review

Periodontal regeneration is a multifaceted therapeutic approach to restore the tooth-supporting structures lost due to periodontal diseases. This manuscript explores the intricate interactions between regenerative therapies and the oral microbiome, emphasizing the critical role of microbial balance in achieving long-term success. While guided tissue regeneration (GTR), bone grafting, and soft tissue grafting offer promising outcomes in terms of tissue regeneration, these procedures can inadvertently alter the oral microbial ecosystem, potentially leading to dysbiosis or pathogenic recolonization. Different grafting materials, including autografts, allografts, xenografts, and alloplasts, influence microbial shifts, with variations in the healing timeline and microbial stabilization. Biologics and antimicrobials, such as enamel matrix derivatives (EMD) and sub-antimicrobial dose doxycycline (SDD), play a key role in promoting microbial homeostasis by supporting tissue repair and reducing pathogenic bacteria. Emerging strategies, such as enzyme-based therapies and antifouling materials, aim to disrupt biofilm formation and enhance the effectiveness of periodontal treatments. Understanding these microbial dynamics is essential for optimizing regenerative therapies and improving patient outcomes. The future of periodontal therapy lies in the development of advanced materials and strategies that not only restore lost tissues but also stabilize the oral microbiome, ultimately leading to long-term periodontal health.

Transient opto-thermal simulation analysis and experimental validation of LERP systems

Abstract Solid-state technology has revolutionized the lighting industry. However, efficiency-droop-limited LEDs introduce constraints to the luminances achieved, and as a result, laser diodes (LDs) are replacing them in the remote phosphor setup. This introduces a new family of lighting solutions, laser-excited remote phosphor (LERP) systems, which can outperform cutting-edge LEDs. LERP systems however have not yet reached their full potential as the high intensity laser beam induces high temperatures within the phosphor material whose emission characteristics heavily depend on temperature. For this reason, a simulation framework has been developed that combines optical and thermal analysis in order to study and optimize these systems and derive their temperature thresholds for sustainable long-term usage. The focus here is on transient analysis, where the interplay between optical and thermal effects can be accounted for and the time dynamics of the system can be investigated. This enables the study of operation points near or at the thermal quenching regime. Furthermore, advanced material models have been developed in order to incorporate the temperature-dependence. The experimental validation of the model has shown that experimental and simulated results are in good agreement.

Charge Generation and Enhancement of Key Components of Triboelectric Nanogenerators: A Review.

The past decade has witnessed remarkable progress in high-performance Triboelectric nanogenerators (TENG) with the design and synthesis of functional dielectric materials, the exploration of novel dynamic charge transport mechanisms, and the innovative design of architecture, making it one of the most crucial technologies for energy harvesting. High output charge density is fundamental for TENG to expand its application scope and accelerate industrialization; it depends on the dynamic equilibrium of charge generation, trapping, de-trapping, and migration within its core components. Here, this review classifies and summarizes innovative approaches to enhance the charge density of the charge generation, charge trapping, and charge collection layers. The milestone of high charge density TENG is reviewed based on material selection and innovative mechanisms. The state-of-the-art principles and techniques for generating high charge density and suppressing charge decay are discussed and highlighted in detail, and the distinct charge transport mechanisms, the technologies of advanced materials preparation, and the effective charge excitation strategy are emphatically introduced. Lastly, the bottleneck and future research priorities for boosting the output charge density are summarized. A summary of these cutting-edge developments intends to provide readers with a deep understanding of the future design of high-output TENG.

A review on recent trends in smart textiles

Recent advancements in both domestic and international research have considerably enhanced the development of smart fibers and smart textile, which are now being increasingly integrated into the textile industry. Advanced textiles encompass five primary functions; sensors, data processing, actuators, storage and communication. These technologies must be effectively integrated into clothing, ensuring they meet essential requirements like comfort, durability, and resilience to routine maintenance. Designers engaged with traditional textiles might address challenges by integrating smart materials and re-evaluating their design methodologies to leverage the distinctive properties of these advanced materials. This review examines recent developments in Smart Textiles, emphasizing the materials and their recent trends.

Solution‐Processed Tin‐Antimony Quaternary Chalcohalides for Self‐Powered Broadband Photodetectors

The mixed‐metal quaternary chalcohalides of group IV and V elements are a promising class of low‐toxicity perovskite‐inspired materials with tunable bandgaps and desirable defect tolerance. Sn2SbS2I3 is known for its broadband absorption, low exciton binding energy, ambient stability, and solution processability in thin films. However, its use in optoelectronic devices has so far been only limited to solar cells. In this work, the first self‐powered photodetectors based on Sn2SbS2I3 thin films, sandwiched in an n–i–p device configuration are reported. The insertion of an interlayer at the hole‐transport layer/gold top‐electrode interface reduces the dark current and improves the device performance. The high external quantum efficiency of the devices in the range of 350−900 nm hints to a broadband spectral photoresponsivity. The devices indeed exhibit promising photodetection properties, namely a photoresponsivity of 0.33 A W−1, a specific detectivity of 1.55 × 1012 Jones, and photoresponse/decay times of 0.52 and 0.45 s at zero bias voltage. These results, combined with the excellent operational stability of the photodetectors, encourage the exploration of a wide range of practical light‐sensing applications for quaternary chalcohalides and stimulate device and material engineering to further enhance photodetection across the UV‐Visible‐NIR spectrum.

Quantitative Design of Cathode Materials for Ion Battery from a Reductionist Perspective

AbstractThe quantitative design of functionalities for functional materials is highly attractive for materials research, which must be based on a thorough understanding of the behavior of fundamental particles. Reductionism advocates for the understanding of complex materials through dissection into the constituent parts, providing a robust framework for investigating functional materials. In an ion battery system, this review utilizes reductionism to deconstruct cathode materials into phase, atom, and even electron, building the intrinsic connections between the macroscopic properties and fundamental particles across four degrees of freedom. This aims to enable the quantitative design of cathode materials. Specifically, the microscopic origins of the macroscopic properties, that is, capacity, potential, rate, and cycling reversibility, based on lattice, charge, orbital, and spin degrees of freedom are elucidated. Additionally, current strategies are summarized and proposed future development directions for improving these properties. These insights contribute to achieving the goal of quantitative design of energy storage materials.

Cluster Dimensions of the Space of a New Residential District of Ukrainian ‘Post-Socialist’ City

The article presents research material devoted to new dimensions of the spatial organization of residential areas of Ukrainian “post-socialist” city. He is currently faced with the challenges of military actions aimed at destroying the urban environment of Ukrainian cities. Residential areas of the micro-district type of the “post-socialist” city are mostly built on the basis of the postulates of functionalism. In the theory and practice of urban planning, they did not foresee the vulnerability of objects of necessary and social infrastructure. The criteria of centrality, as focus of concentration of functions of the spatial organization of the city, are currently being transformed into criteria of dispersion. Functional zoning acquires the multiplicative nature of multidimensional functional zoning. Fractal urbanism methodology assumes local freedom and global cohesion of individual urban planning elements. New exponential organizational structures with innovative digital technologies create “breakthrough” models of development. One of which is the urban planning cluster. The new residential area “Levada-2” in the city of Poltava (Ukraine) is presented, which demonstrates the latest approaches in the cluster organization of living space.

Material Technologies for Improved Diabetic Foot Ulcer (DFU) Treatment: A Questionnaire Study of Healthcare Professionals’ Needs

Background/Objectives: Diabetic foot ulcers (DFUs) are a common and severe complication of diabetic patients, with significant global prevalence and associated health burdens, including high recurrence rates, lower-limb amputations, and substantial associated economic costs. This study aimed to understand the user needs of healthcare professionals treating diabetic foot ulcers for newly developed material technologies. Methods: An open-ended questionnaire was used to identify user needs, identify the limitations of current treatments, and determine the specific requirements for ideal treatment. This information was used to develop a list of key considerations for creating innovative material technologies to improve diabetic wound treatment results. Results: Most respondents indicated that they followed published treatment guidelines for DFUs but noted that treatment often required a case-specific approach. Antibiotics and surgical debridement were commonly used for infection control. The participants showed a strong preference for wound dressings with lasting antibacterial properties. Respondents identified ideal properties for new products, including ease of use, enhanced antibacterial properties, affordability, and targeted biological activity. The respondents also highlighted the importance of a holistic approach to DFU management, integrating product development with comprehensive care strategies and patient education. Conclusions: This study highlights the complexity of DFU care, emphasizing that no single product can address all treatment needs. Future materials could focus on combination therapies and specific use cases. Additionally, understanding global variations in treatment practices and educating users on the proper application of newly developed material technologies is crucial for improving the management of DFUs and patient outcomes.

Research Progress on Essential Trace Elements Associated with Osteoporosis

Osteoporosis (OP) is a common skeletal disease affecting millions of people worldwide. The relationship between trace elements and OP has garnered widespread attention in recent years. This study conducts a literature review to comprehensively analyze the mechanisms of iron, copper, and magnesium in OP. The research encompasses multiple fields, including in vitro experiments, in vivo experiments, case-control studies, cross-sectional studies, and materials science, to reveal the impact of trace elements on the occurrence and development of osteoporosis.Iron accumulation promotes the development of OP by causing a reduction in osteoblast activity. Ferroptosis induces a decline in the function of osteoblasts, leading to reduced bone formation functionality; copper intake is positively correlated with bone density to a certain extent, and copper ions aid in the repair and regeneration of bone tissue. Copper-induced cell death may participate in the pathogenesis of OP by affecting the mitochondrial function and the immune response; magnesium ions promote bone formation, and the intake of magnesium is related to bone quality. Magnesium-containing materials show potential in the treatment of osteoporosis. Trace elements such as iron, copper, and magnesium are closely related to the occurrence and development of OP. Future research needs to further explore the specific mechanisms of these elements to develop new treatment strategies for OP.

Next‐Generation Time‐Resolved Electron Paramagnetic Resonance for Direct Visualizing Mechanisms in Radical Chemistry

AbstractRadical chemistry is an important research field that plays a vital role in life science, material science, and energy conversions. However, directly visualizing the transient open‐shell intermediates unambiguously in radical chemistry is a significant and long‐standing challenge. Recently, we have developed an innovative ultrawide single‐sideband phase‐sensitive detection (U‐PSD) time‐resolved electron paramagnetic resonance (TREPR) technique, which enables the characterization of diverse transient radical intermediates and mechanistic studies close to reaction conditions. In this brief review, we will offer an outline of the principles underlying our U‐PSD TREPR technique, and present examples highlighting the technique's ability to accurately characterize and track free radical intermediates in photocatalytic reactions.

Data and Molecular Fingerprint-Driven Machine Learning Approaches to Halogen Bonding.

The ability to predict the strength of halogen bonds and properties of halogen bond (XB) donors has significant utility for medicinal chemistry and materials science. XBs are typically calculated through expensive ab initio methods. Thus, the development of tools and techniques for fast, accurate, and efficient property predictions has become increasingly more important. Herein, we employ three machine learning models to classify the XB donors and complexes by their principal halogen atom as well as predict the values of the maximum point on the electrostatic potential surface (VS,max) and interaction strength of the XB complexes through a molecular fingerprint and data-based analysis. The fingerprint analysis produces a root-mean-square error of ca. 7.5 and ca. 5.5 kcal mol-1 while predicting the VS,max for the halobenzene and haloethynylbenzene systems, respectively. However, the prediction of the binding energy between the XB donors and ammonia acceptor is shown to be within 1 kcal mol-1 of the density functional theory (DFT)-calculated energy. More accurate predictions can be made from the precalculated DFT data when compared to the fingerprint analysis.

Advances in Light Promoted Transformation of N-Heterocyclic Carbene-Ligated Boryl Radical

Organoboron compounds are integral to modern life, with extensive applications in synthesis, materials science, medicine, and various other domains closely linked to human endeavors. NHC-BH3, noted for its stability, ease of synthesis, and high reactivity as a boryl radical precursor, has emerged as a key focus in boryl radical chemistry. Recently, the visible-light-induced single electron transfer (SET) and hydrogen atom transfer (HAT) processes have garnered considerable interest, presenting innovative strategies for generating boryl radicals from NHC-BH3. In the context of this review, our focus is on the synthesis of C-B and X-B bonds under visible light irradiation, facilitated by NHC-BH3. Furthermore, we explored the role of NHC-BH3 as a hydrogen donor or halogen atom transfer reagent in the construction of C-C bond.

Comparative assessment of physics-based in silico methods to calculate relative solubilities.

Relative solubilities, i.e. whether a given molecule is more soluble in one solvent compared to others, is a critical parameter for pharmaceutical and agricultural formulation development and chemical synthesis, material science, and environmental chemistry. In silico predictions of this crucial variable can help reducing experiments, waste of solvents and synthesis optimization. In this study, we evaluate the performance of different physics-based methods for predicting relative solubilities. Our assessment involves quantum mechanics-based COSMO-RS and molecular dynamics-based free energy methods using OPLS4, the open-source OpenFF Sage, and GAFF force fields, spanning over 200 solvent-solute combinations. Our investigation highlights the important role of compound multimerization, an effect which must be accounted for to obtain accurate relative solubility predictions. The performance landscape of these methods is varied, with significant differences in precision depending on both the method used and the solute considered, thereby offering an improved understanding of the predictive power of physics-based methods in chemical research.

Two-Dimensional MXene Flakes with Large Second Harmonic Generation and Unique Surface Responses.

MXenes are a family of two-dimensional (2D) materials with broad and varied applications in biology, materials science, photonics, and environmental remediation owing to their layered structure and high surface area-to-volume ratio. MXenes have exhibited significant nonlinear optical characteristics, which have been primarily explored in the context of photonics applications, yet the second-harmonic generation (SHG) behavior of MXenes remains an unexplored aspect of their optical properties. Herein, we demonstrate and quantify large second-order responses of 2D Ti3C2Tx MXenes both in aqueous solutions and on a silicon substrate for the first time. MXene flakes showed strong second-harmonic scattering (SHS) in a dilute suspension with a sensitivity of less than 0.1 μg/mL. Angle-dependent SHS experiments further found that the second-order responses originate from coherent 2D dipole radiation. Through confocal and atomic force microscopies, we found that the intense SHG signal from free-standing MXene flakes increases exponentially with decreasing thickness, while two-photon fluorescence increases linearly with thickness. The second-order susceptibility of the MXenes was determined to be 3.6 pm V-1 with a thickness of 10 nm, almost twice of that for an often-used SHG crystal, beta barium borate. We further explored surface properties of the MXene sheets by investigating the SHS responses upon addition of organic dye molecules to the system. It was found that the adsorption of crystal violet (CV) obeys a Langmuir adsorption model while the addition of malachite green (MG) resulted in almost no change in SHG intensity, even though the adsorption capacities for both CV (61.3 ± 1.7 mg/g) and MG (54.8 ± 2.8 mg/g) are similar. Such a stark difference in adsorption characteristics between cationic organic CV and MG dyes is likely due to their distinct orientational orderings on the MXene surfaces. This work opens many possibilities for the further employment of the family of 2D materials in photonics, optics, and surface catalysis applications.

Investigation of structural frustration in symmetric diblock copolymers confined in polar discs through cell dynamic simulation

Nanotechnology has opened new avenues for advanced research in various fields of soft materials. Materials scientists, chemists, physicists, and computational mathematicians have begun to take a keen interest in soft materials due to their potential applications in nanopatterning, membrane separation, drug delivery, nanolithography, advanced storage media, and nanorobotics. The unique properties of soft materials, particularly self-assembly, have made them useful in fields ranging from nanotechnology to biomedicine. The discovery of new morphologies in the diblock copolymer system in curved geometries is a challenging problem for mathematicians and theoretical scientists. Structural frustration under the effects of confinement in the system helps predict new structures. This mathematical study evaluates the effects of confinement and curvature on symmetric diblock copolymer melt using a cell dynamic simulation model. New patterns in lamella morphologies are predicted. The Laplacian involved in the cell dynamic simulation model is approximated by generating a 17-point stencil discretized to a polar grid by the finite difference method. Codes are programmed in FORTRAN to run the simulation, and IBM open DX is used to visualize the results. Comparison of computational results with existing studies validates this study and identifies defects and new patterns.

The Energy Absorption Characteristics and Sound Absorption Behavior of In Situ Integrated Aluminum Lattice Structure Filled Tubes

Lattice structures, as integrated structure‐function engineering materials, have developed rapidly in industrial fields. In this study, the in situ integrated solid/hollow aluminum lattice structure filled tubes are designed and manufactured by a selective laser melting technique. The effects of structure parameters on compressive properties, energy absorption, and sound absorption are analyzed. The in situ integrated aluminum lattice structure filled tubes with hollow lattice structure and strengthened hollow lattice structure can achieve a wide adjustment of compressive property (31.04–185.64 MPa) and energy absorption density (11.21–51.70 MJ m−3) in a narrow density range. The compressive property and energy absorption are superior compared with ex situ aluminum lattice structure filled tubes due to the interaction and metallurgical bonding between the thin‐walled tubes and the aluminum lattice structures. The hollow structure design and altering its structure parameters can regulate the sound absorption coefficient and the corresponding peak frequency (the highest absorption peak is 0.723 at 2098 Hz). In addition, the hollow structure design can realize double absorption peaks (0.360 at 1462 Hz and 0.503 at 2122 Hz), presenting the potential for broadband sound absorption. Eventually, superior integrated energy/sound absorption structures can be obtained by the hollow structure design and its corresponding optimization.

Bioinspired Moisture‐Driven Soft Robotic Actuator

Multifunctional materials in nature, utilizing atmospheric water content, offer solutions to challenges in soft‐actuating materials research. The leaf of Arundo donax, an invasive plant, showcases exceptional properties: structural integrity, passive actuation, tunability, load‐bearing capacity, longevity, and an integrated battery‐free fluid generation and distribution mechanism. These functions coexist within a thin (≈130 μm) and lightweight structure with simple compositions. The study investigates material composition, passive fluid transport, water harvesting structures, and mechanical properties, revealing unexpected correlations between surface and internal structures. Additionally, tunable actuation, suitable for origami‐based mechanisms, is explored. Testing an energy‐free, moisture‐triggered soft robotic gripper, its ability to lift over 50 times its weight while maintaining sufficient softness for delicate tasks is demonstrated. This unit‐wise structure‐based actuation offers promise for soft robotics, with favorable fabrication possibilities and motion manipulation.

Mechanical and micro-structural characterization of biodegradable coir fiber–glass sheet–charcoal reinforced polymer composite: an experimental approach

In the present investigation, the combined influence of coir, glass fibers and charcoal content on the mechanical properties of epoxy-based hybrid composites has been explored, providing insights for the potential development of advanced materials with tailored performance characteristics. Through a systematic analysis of the mechanical properties (tensile strength, Young's modulus, flexural strength, flexural modulus, and Brinell hardness number), various composite formulations were evaluated to discern their performance characteristics. The study reveals significant variations in mechanical properties across different composite configurations, highlighting the critical role of fiber type and charcoal content in determining the materials’ performance. Notably, composites featuring alternating layers of glass and coir fibers exhibit superior tensile and flexural strengths, underscoring the synergistic effects of hybridization. Conversely, the introduction of charcoal as a reinforcement agent leads to deterioration in the mechanical properties, indicating a trade-off between the reinforcement and other desirable attributes. These findings offer valuable insights for the strategic design and engineering of advanced materials tailored to specific applications, paving the way for the development of high-performance epoxy-based hybrid composites with enhanced mechanical properties and durability.

Enhanced Electromagnetic Energy Conversion in an Entropy‐driven Dual‐magnetic System for Superior Electromagnetic Wave Absorption

AbstractThermochemical conversion is a highly effective method for upgrading organic solid wastes into high‐value materials, contributing to carbon neutrality and peak, carbon emission goals. It also serves as a pathway to develop energy‐efficient electromagnetic wave absorbing (EMWA) materials. In this study, fish skin to successfully in situ nitrify Prussian Blue into Fe3N under external thermal driving condition, resulting in high saturation magnetization is utilized. The resulting Fe3N@C demonstrates outstanding EMWA property, achieving a minimum reflection loss of −71.3 dB. Furthermore, by introducing cellulose nanofiber, a portion of the iron nitride is transformed into iron carbide, resulting in Fe3C/Fe3N@C. This composite exhibits enhanced EMWA properties owing to wider local charge redistribution and stronger electronic interactions, achieving an effective absorption bandwidth (EAB) of 6.64 GHz. Electromagnetic simulations and first‐principles calculations further elucidate the EMWA mechanism, and the maximum reduction value of the radar‐cross section reached 37.34 dB·m2. The design of multilayer gradient metamaterials demonstrated an ultra‐broadband EAB of 11.78 GHz. This paper presents an efficient strategy for atomic‐level biomass waste utilization to prepare Fe3N, provides novel insights into the conversion between metal nitrides and metal carbides, and offers a promising direction for the development of advanced EMWA materials.

Graphitic Carbon Nitride Based Semiconductors and Their Applications in the Field of Photocatalysis

An increasing number of advanced semiconductor materials have been reported with the progress of theoretical and practical researches. The graphitic carbon nitride (g-C3N4) stands out as a highly promising semiconductor photocatalyst. It is known for its visible-light reaction and good chemical stability, indicating its potential for extensive use in photocatalysis. Recently, rapid progress has been made in researching g-C3N4-based semiconductor substances in photocatalysis. Till now, a large amount of work has focused on the applications of g-C3N4 in photocatalysis. This work focuses on those researches concerning with g-C3N4-based photocatalytic substances. Their structural characteristics, synthesis techniques, and efficiency enhancement are discussed in detail. Besides, their applications in different photocatalytic reactions are also highlighted. These reactions include hydrogen production by water decomposition, degradation of organic matter, carbon dioxide reduction, and photocatalytic bactericide. This article also points out the problems and challenges in the photocatalytic performance. Meanwhile, the stability of g-C3N4 is also highlighted. It also puts forward the promising research directions of g-C3N4 in the field of photocatalysis.