Chemistry and Materials Science

Sort by

Article
Chemistry and Materials Science
Surfaces, Coatings and Films

Luis F. Vieira Ferreira

,

Ana Maria Rego

,

Rosa Varela Gomes

,

Mário Varela Gomes

,

Shanshan Li

,

Manuel F. C. Pereira

Abstract: Fifteen blue-and-white Chinese porcelain sherds dated from the seventeenth to nineteenth centuries, from Jingdezhen, Anxi, and Dehua kilns, were analysed and compared with fragments recovered from the Santana Convent in Lisbon. This work focuses on the identification of cobalt pigment sources, glaze technology and microstructural features for provenance assessment. Sherds were studied using several non-invasive spectroscopies, namely micro-Raman, X-Ray Photoelectron spectroscopy (XPS), X-Ray Fluorescence (XRF) and Ground State Diffuse Reflectance (GSDR). The mineralogical characterization of the ceramic bodies was performed with the use of the X-ray diffraction technique (XRD) and stereomicroscopy (SM). The GSDR absorption spectra of the dark blue and light blue glazes are in most cases quite different. These spectra, together with the XPS studies point to different forms of cobalt ions emplacement in the surface glassy structure of the glaze, or to the use of different pigments to obtain the dark or the light blues decoration of the porcelains. This study aims to clarify the provenance of the Santana Convent sherds (specially the 18th century ones). The multi-analytical characterization achieved in this study, points to the Dehua kilns as the most probable provenance for samples S11 and S12, of the Part [1] study.

Article
Chemistry and Materials Science
Polymers and Plastics

Evy Aracely Ortiz

,

Montana Thomas Hance

,

Aboulfazl Barati

Abstract: Biodegradable polymer systems based on poly(3-hydroxybutyrate) (PHB) and poly(butylene adipate-co-terephthalate) (PBAT) have attracted significant attention for fused deposition modeling (FDM)-based orthopedic applications due to their biodegradability, tunable mechanical behavior, and potential to reduce stress-shielding effects associated with metallic implants. However, the immiscibility of PHB/PBAT blends, limited melt stability, and poor balance between stiffness and ductility restrict their processability and functional performance. In this study, rheology was employed as the central design parameter to establish the relationship between reactive compatibilization, melt structure evolution, filament formation, printability, mechanical response, and degradation behavior in PHB/PBAT-based systems. PHB/PBAT blends containing varying Joncryl® ADR and MgO nanoparticle contents were prepared through reactive melt blending, followed by filament extrusion and FDM processing. FTIR analysis confirmed epoxy-mediated reactions between Joncryl and polyester chain ends, indicating chain extension, branching, and enhanced interfacial interactions. Rheological analysis demonstrated that reactive compatibilization significantly increased storage modulus, complex viscosity, melt elasticity, and relaxation times, particularly at low frequencies, indicating the formation of a more interconnected viscoelastic network favorable for stable filament extrusion and shape retention during FDM processing. Stress relaxation measurements further confirmed delayed stress dissipation and enhanced melt structural recovery in compatibilized systems. In contrast, MgO incorporation introduced rheological heterogeneity and altered relaxation dynamics through polymer-filler interactions and localized chain confinement. Mechanical characterization revealed a transition from brittle PHB behavior to ductile PBAT-rich systems. Among the investigated formulations, PHB/PBAT/J0.3 exhibited the most favorable balance between tensile strength, elongation, toughness, and filament stability, while excessive MgO loading reduced ductility and impact resistance despite modest stiffness enhancement. SEM observations demonstrated improved phase morphology and interfacial adhesion after reactive compatibilization, whereas MgO-containing systems exhibited increased structural heterogeneity. Thermal analysis showed that compatibilization modified crystallization behavior through chain branching and reduced crystallinity, while MgO influenced crystallization efficiency and degradation pathways. In vitro degradation in phosphate-buffered saline (PBS) solution at 37 °C demonstrated controlled degradation behavior and gradual pH evolution over 42 days. The results demonstrate that reactive compatibilization governs the viscoelastic state required for stable FDM processing and balanced mechanical performance, while MgO provides secondary control over stiffness and degradation behavior. The developed biodegradable PHB/PBAT-based systems show promising potential for additively manufactured orthopedic and biomedical applications where controlled degradation, flexibility, and processability are required.

Review
Chemistry and Materials Science
Materials Science and Technology

Abniel Machín

,

Francisco Márquez

Abstract: Half-cell testing has long served as a convenient and informative platform for screening electrode materials in lithium-ion and sodium-ion batteries. However, the electrochemical performance obtained under such simplified conditions often fails to predict the behavior of practical full cells, where electrode balancing, mass loading, areal capacity, electrolyte amount, pressure, and interfacial instability impose much stricter constraints. In this review, we examine the limitations of half-cell-based assessment and discuss why moving beyond idealized configurations is essential for the realistic evaluation of advanced battery materials. Particular attention is given to the dynamic nature of interfacial chemistry, including the formation and evolution of the solid electrolyte interphase and cathode electrolyte interphase, as well as to the role of electrolyte decomposition, additives, binders, and electrode formulation in determining cell performance. We further analyze how operando and in situ characterization techniques, including X-ray-based methods, vibrational spectroscopies, microscopy, and electrochemical impedance analysis, are reshaping the understanding of structural evolution, interphase development, and degradation processes under realistic operating conditions. Major failure pathways in practical cells, such as capacity fade, impedance growth, mechanical degradation, electrolyte consumption, gas evolution, transition-metal dissolution, and surface reconstruction, are critically discussed for both lithium-ion and sodium-ion systems. Representative electrode chemistries are considered to illustrate how promising material-level properties do not always translate into practical-cell success. Finally, we address the metrics that matter for practical relevance, summarize current mitigation strategies, and highlight validation criteria and testing workflows that can better connect academic materials research with realistic battery development. By integrating interfacial chemistry, operando insight, and practical performance criteria, this review aims to provide a more translational framework for the design and assessment of next-generation lithium-ion and sodium-ion batteries.

Article
Chemistry and Materials Science
Materials Science and Technology

Jairo A. Martínez-Uribe

,

Joaly Delgado-Alvarez

,

J. Jesús Velázquez Salazar

,

Daniel Bahena Uribe

,

Miguel Jose-Yacaman

,

Sergio J. Mejía-Rosales

Abstract: Understanding the mechanical behavior of bimetallic nanoparticles under compressive stress is relevant for the use of these nanostructures in catalysis and nanomechanics. In this work, we present molecular dynamics (MD) simulations of compressive deformation in Pt-Ni nanoparticles—and bulk systems for comparison—with varying compositions (PtxNi1−x) and local distributions, performed using LAMMPS. The simulations show that the mechanical response is governed by local strain fields, which influence both elastic and plastic regimes. Post-processing analysis was made using OVITO, simulated STEM imaging, and Geometric Phase Analysis (GPA), which allowed the obtention of high-resolution strain maps. Analysis of von Mises stress distribution allowed us to correlate composition and atomic ordering with the formation and evolution of dislocations in the nanoparticles. The intermetallic compound with x=0.5 exhibits superior mechanical performance under uniaxial compression, with enhanced elastic energy storage is in bulk. In polycrystalline nanoparticles, energy dissipation increased with decreasing average grain size, which is attributed to elevated plastic activity induced by the presence of multiple crystallographic orientations. GPA results show that it is possible to discriminate between compositions differing by as little as Δx = 0.1 based on local strain distributions, and the comparison with GPA performed on real STEM micrographs gives a fair agreement. GPA and atomistic stress maps reveal how strain fields evolve during compression and how they correlate with the development of plasticity. These findings highlight the critical role of local structural heterogeneities in dictating the mechanical behavior of nanoscale Pt-Ni systems, and give strong evidence on the capability of GPA to correlate local strain and composition in real high-resolution micrographs.

Article
Chemistry and Materials Science
Ceramics and Composites

Edson de Oliveira Costa

,

Maria Aparecida Ribeiro Bonifácio

,

Adriana de Jesus Santos

,

Cochian Pereira dos Santos

,

José Carlos Martins de Almeida

,

Eliane Bezerra Cavalcanti

,

Valdenia Porto Medeiros

,

Crislene Rodrigues da Silva Morais

Abstract: Glass-ceramic foams (BVZ: bottle glass waste–zirconia residue–bentonite) were produced using the polymeric replica method from low-cost raw materials, comprising approximately 85 wt% bottle glass waste and zirconia residue, and 15 wt% regional bentonite. To evaluate the effect of zirconia residue on the microstructure and physicochemical properties of the BVZ foams, aqueous precursor suspensions were prepared with varying proportions of bottle glass waste (59.7–69.7 wt%) and zirconia residue (14.9–19.9 wt%), and sintered at 750 °C, 800 °C, and 850 °C. X-ray diffraction (XRD) analysis revealed a reduction of the amorphous halo (15–35° 2θ) and an increase in crystallinity with increasing temperature, indicating devitrification of the glassy matrix. The main crystalline phases identified were zircon (ZrSiO₄), nepheline (NaAlSiO₄), AlPO₄, and zirconia (ZrO₂), with evidence of minor domains structurally compatible with NASICON-type phases (NaZr₂(PO₄)₃). In general, glass-ceramic foams produced with high waste content showed greater densification and reduced porosity at 850 °C. The mechanical strength was sufficient for handling and assembly in electrochemical cell components, while the reduced brittleness supports safe processing and indicates potential for scalable manufacturing.

Article
Chemistry and Materials Science
Applied Chemistry

Vasco Fassina

Abstract: A multi-analytical study was conducted to investigate the deterioration mechanisms affecting the stone materials of the Arca di Cansignorio della Scala (Verona, Italy) and to identify the residual traces of polychromy and gilding. The investigation combined macroscopic mapping, stratigraphic sampling, optical microscopy (OM), environmental scanning electron microscopy (ESEM) coupled with energy-dispersive spectroscopy (EDXS), X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), and ion chromatography (IC). The monument, mainly carved in Candoglia marble, exhibits three principal weathering typologies: (i) meteoric washing associated with marble decohesion, (ii) grey deposits (dirt accumulation areas); and (iii) sulphation-related black crust formation (dirt wetting areas). In addition, severe mechanical damage is as-sociated with early 20th-century structural consolidation using embedded iron bars, whose corrosion-induced volumetric expansion generated vertical fissures. Strati-graphic analyses revealed the presence of original azurite-based polychrome, proteina-ceous and lipidic binders, lead white preparatory layers, and multiple gold leaf applica-tions of gold leaf. The study highlights the interaction between environmental exposure, atmospheric pollution, material incompatibility resulting from past restorations cam-paigns, and the preservation state of the surviving decorative painted layers.

Review
Chemistry and Materials Science
Electrochemistry

Richa Vinod Tiwari

,

C Lakshmana Rao

,

Cemal Basaran

Abstract: Lithium-ion batteries (LIBs) are widely used across a range of applications; however, they degrade over time due to various factors, including repeated charge–discharge cycling, material aging, and environmental conditions. Degradation models play a crucial role in predicting the lifespan of LIBs and in optimizing their design and opera-tional strategies. This paper presents a comprehensive review of state-of-the-art deg-radation models for LIBs. The reviewed models primarily address key degradation mechanisms, including solid electrolyte interphase (SEI) formation, lithium plating, and particle fracture. For each mechanism, the underlying modeling approaches, their development, advantages, limitations, and associated challenges are critically dis-cussed. Finally, this review identifies existing gaps in battery degradation modeling and proposes the Unified Mechanics Theory (UMT), which is the unification of laws of Newton and the second law of thermodynamics, and uses entropy as a degradation metric, as a promising alternative framework for capturing the coupled and multifac-eted nature of battery degradation processes.

Article
Chemistry and Materials Science
Electrochemistry

Virginija Ulevičienė

,

Daina Upskuvienė

,

Aldona Balčiūnaitė

,

Aleksandrs Volperts

,

Ance Plavniece

,

Giedrius Stalnionis

,

Loreta Tamašauskaitė-Tamašiūnaitė

,

Eugenijus Norkus

Abstract: In this study the development of sustainable electrocatalysts for clean energy by modifying biomass-derived activated carbon with nitrogen and transition metals is presented. Activated carbon (AWC) was synthesized using alder wood char as a precursor, while nitrogen and cobalt or copper nanoparticles were incorporated with the aim to create efficient materials for hydrazine oxidation (HzOR) and direct hydrazine-hydrogen peroxide fuel cells (DHHPFC, N2H4–H2O2). The composition, structure, and surface morphology of the created catalysts were examined using inductively coupled plasma optical emission spectroscopy (ICP-OES), X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), and scanning electron microscopy and energy dispersive X-ray analysis (SEM/EDX). The activity of the AWC, AWC–Co–N, and AWC–Cu–N catalysts for HzOR was evaluated by cyclic voltammetry (CV) and linear sweep voltammetry (LSV). N2H4–H2O2 fuel cell tests were carried out by employing the catalysts both as the anode and cathode. It was found that all materials retained a hierarchical porous carbon framework, while metal incorporation altered surface compactness Cobalt doping produced well-dispersed Co nanoparticles and abundant Co–N–C coordination sites, whereas Cu introduction resulted in moderately compact structures with uniformly distributed Cu-based nanoparticles. Electrochemical measurements demonstrated that both metal dopants enhanced HzOR activity, with the catalytic performance following the order AWC–Co–N > AWC–Cu–N > AWC. Fuel-cell testing further confirmed this trend: AWC–Co–N achieved the highest maximum power density (30.4 mW cm–2), outperforming AWC–Cu–N (17.7 mW cm–2). These results identify AWC–Co–N as a highly effective bifunctional electrocatalyst for DHHPFCs.

Review
Chemistry and Materials Science
Biomaterials

Antonio Libonati

,

Danilo Marroni

,

Giulio Barbalace

,

Giulia Campanella

,

Carla Clemente

,

Francesco Campanella

,

Lucrezia Secreti

,

Vincenzo Campanella

Abstract: Titanium-based dental implants have evolved significantly, with the development of binary alloys like Ti-15Zr (Roxolid™) representing a pivotal advancement in mechanical performance. Current research focuses on biomimetic surface engineering to further accelerate osseointegration and optimize bone regeneration, particularly in clinically compromised sites. This review constitutes a narrative synthesis of how these strategies replicate the bone extracellular matrix (ECM) through a holistic framework of architectural, mechanical, and biochemical integration. A structured literature search across PubMed, Scopus, and Web of Science (2010–2026) identified relevant studies focusing on the synergy between Ti-15Zr substrates and surface modifications. Evidence confirms that the high fatigue strength of Roxolid™ alloys provides an ideal foundation for advanced, hierarchical surface engineering without compromising structural integrity. This strategy utilizes macro-topography for primary stability, nano-topography for protein adsorption, and bio-functionalization (e.g., RGD peptides, osteogenic ions) to direct mesenchymal stem cell (MSC) differentiation. This synergy accelerates the transition from passive to active osseointegration, effectively bridging the "biological gap" during early healing. Biomimetic engineering transforms implants into instructive biological platforms, improving outcomes for patients with compromised bone quality and facilitating predictable immediate loading protocols.

Article
Chemistry and Materials Science
Organic Chemistry

Marco A. Obregón-Mendoza

,

Rosario Tavera-Henández

,

Rubén Sánchez-Obregón

,

Carolina Escobedo-Martínez

,

Rubén A. Toscano

,

Raúl G. Enríquez

Abstract: Herein, Diacetylcurcumin (DAC), a derivative of curcumin, was synthesised, and two new polymorphs (monoclinic and triclinic) are reported in addition to the previously known polymorph (P21). Solid-state NMR (CP-MAS) and X-ray studies allowed the unambiguous authentication of the elusive polymorph 2 (canoe-shaped, P21/n) and the concomitant polymorph 3 (elliptical-shaped, P-1). We demonstrate that morphological crystal analysis under a microscope, in conjunction with ATR-IR, is a rapid and inexpensive technique for exploring the polymorphic landscape of curcuminoids. This discovery highlights the ongoing progress in curcumin derivative research and should inspire fellow chemists and materials scientists to further explore it.

Article
Chemistry and Materials Science
Biomaterials

Laura Kazhygeldiyeva

,

Lyazzat Orazzhanova

,

Binur Mussabayeva

,

Alfira Sabitova

,

Batiyash Silybayeva

Abstract: This work presents the study results of the phytochemical profile and antioxidant activity of aboveground organs of the East Kazakhstan population of Salicornia europaea L. The chemical composition of the plant sample was studied using a complex of modern analyt-ical methods, including HPLC, GC-MS, IR-Fourier spectroscopy, and elemental analysis. It was found that the content of flavonoids was 2.40 ± 0.02 mg QE/g of dry raw materials, and the content of polyphenols was 6.73 ± 0.03 mg GAE/g. The antioxidant activity (ABTS test) reached 7.85±0.04 mg TE/g. The concentration of fat-soluble and water-soluble vita-mins was: C - 1.27 ± 0.12 mg/100 g, A - 1.16 ± 0.11 mg/100 g and E - 3.89 ± 0.38 mg/100 g. The IR characterization of plant raw materials and ash was carried out, the indicators of the elemental composition (TC, TOC, TIC, TN, TS) were determined. The totality of the data obtained indicates the phytochemical potential of Salicornia europaea L., which grows in the territory of Eastern Kazakhstan, and substantiates the prospects of its use in the develop-ment of cosmetic and cosmeceutical products.

Article
Chemistry and Materials Science
Materials Science and Technology

Miljana G. Stojanović

,

Ivan M. Savić

,

Jovana Vunduk

,

Ivana M. Savić Gajić

Abstract: In contemporary research on natural bioactive compounds, increasing emphasis is placed on the development of efficient and sustainable extraction technologies. This study aimed to develop and optimize an innovative extraction process for wild cyclamen (Cyclamen purpurascens Mill.) tubers to maximize the yield of total extractives using a Box-Behnken design. The effects of four extraction parameters were evaluated on the system response. A second-order polynomial model accurately described the extraction process, yielding a coefficient of determination of 0.919. The liquid-to-solid ratio was identified as the dominant factor affecting the extraction efficiency compared to the other factors investigated. The optimal extraction conditions were as follows: extraction time of 15.5 min, 13% (v/v) ethanol, liquid-to-solid ratio of 13.5 mL/g, and extraction temperature of 34 °C, resulting in a yield of 53.44%. The optimized process yielded a significant saponin content of 16.19 g/100 g, while the levels of phenolic compounds (132.52 mg GAE/100 g) and flavonoids (12.04 mg QE/100 g) were also quantified. UHPLC–ESI–MS/MS analysis confirmed the presence of triterpene saponins, flavonoids, and terpenoids. DPPH, ABTS⁺, and CUPRAC assays indicated the antioxidant potential of the extract, while the minimum inhibitory concentration assay showed antibacterial activity against Staphylococcus aureus and Escherichia coli. The established chemical profile and observed biological activities provide the basis for further evaluation of wild cyclamen tubers as a source of bioactive secondary metabolites.

Article
Chemistry and Materials Science
Metals, Alloys and Metallurgy

Changming Fang

,

Zhongping Que

,

Zhongyun Fan

Abstract: Commercial aluminum (Al) metals contain unavoidably iron (Fe) and silicon (Si) as impurities. Due to its low solubility and high chemical affinity to Al, Fe exists in the form of Fe-containing intermetallic compounds (Fe-IMCs) which act crucially in solidification processes, determining the micro-structure and consequently the mechanical performance of the cast parts. Meanwhile, Si as impurity or addition may join the binary Fe-IMCs. Here, we investigate the Si stabilization effects on the frequently observed Al-rich Fe-IMCs in a comprehensive and systematical way using a first-principles density-functional theory (DFT) approach. The study revealed different Si stabilization effects on the cubic α- and hexagonal αʹ-phase, as well as other binaries: Al12Fe, η-Al6Fe, τ4-, β- and θ-phases. The enhancement of stability for the α-phase is moderate while it is strong for the αʹ-phase. For the stability series (from higher to lower) is θ-Al13Fe4 > η-Al6Fe >α-Al4.75Fe in the binary system, while it becomes τ4-(Al,Si)5Fe>β-Al4.5SiFe >αʹ-(Al,Si)4.174Fe for the ternary Fe-IMCs. The information obtained here helps understand the formation of Fe-IMCs particles during casting of Al-Si alloys, and design of novel Al alloys of fine micro-structures and desired mechanical performances of the products from the primary Al and the scraps and wastes.

Article
Chemistry and Materials Science
Polymers and Plastics

Shivank S. Shukla

,

Rishi Gurnani

,

Chiho Kim

,

Rampi Ramprasad

,

Akhlak Mahmood

Abstract: Polymers enable countless modern technologies, yet vast regions of their chemical space remain unexplored. Traditional polymer discovery relies on chemical intuition, ingenuity, and experience (with a healthy dose of serendipity), yet it fails to leverage millions of potentially accessible and synthesizable polymer structures. Here, we present RxnChainer, a digital methodology integrating virtual polymer generation, retrosynthetic analysis, and post-polymerization modification to systematically explore synthetically accessible polymer space. Using commercially available monomers from the Toxic Substances Control Act (TSCA) and ChEMBL databases and RxnChainer, we generated over 289 million hypothetical polymers across 44 polymerization pathways spanning 32 polymer classes, including polyamides, polyimides, polyesters, and polyethers. Comparison with the known (i.e., previously synthesized) spectrum of polymers revealed that a significant portion of these new synthesizable structures are novel, i.e., previously unknown and unexplored. We demonstrate the methodology's versatility through automated retrosynthetic planning for 30,000 polyesters and targeted functionalization via four post-polymerization modification pathways incorporating vinyl and nitrile pendant groups. The resulting datasets enable downstream tasks such as property-driven screening, application-specific design, and training of generative models.

Review
Chemistry and Materials Science
Medicinal Chemistry

Katarzyna Stępnik

Abstract: Alzheimer’s disease (AD) is a multifactorial neurodegenerative disorder driven by complex interactions between protein aggregation, oxidative stress, neuroinflammation, and cellular dysfunction. Among plant-derived compounds, curcumin has emerged as one of the most extensively studied polyphenols due to its broad spectrum of biological activities. This review provides a critical synthesis of mechanistic, preclinical, and clinical evidence on curcumin in AD. Experimental studies consistently demonstrate that curcumin modulates key pathogenic processes, including neuroinflammatory signaling, oxidative stress, and amyloid-β aggregation, with more limited evidence for effects on tau pathology. While in vitro studies offer detailed mechanistic insights, in vivo models provide more integrated evidence, including improvements in cognitive performance and reductions in pathological markers. Despite this strong preclinical foundation, clinical evidence remains limited and inconsistent. Randomized controlled trials have not demonstrated clear therapeutic efficacy, with outcomes strongly influenced by formulation, bioavailability, and study design. Poor solubility, rapid metabolism, and limited brain exposure remain key translational barriers. In response, increasing attention has been directed toward formulation strategies and structurally related compounds. Emerging curcuminoids, such as bisdemethoxycurcumin (BDMC), are discussed as potential next-generation candidates. Preliminary evidence suggests that BDMC may modulate oxidative stress, autophagy, astrocyte senescence, and amyloid-related processes, although data remain largely preclinical. Overall, curcumin represents a mechanistically rich and preclinically promising multi-target compound, but with unresolved translational limitations. Future research should prioritize pharmacokinetic optimization, formulation-dependent validation, and exploration of novel curcuminoid strategies to bridge the gap between experimental findings and clinical application in AD.

Review
Chemistry and Materials Science
Materials Science and Technology

Xiaoying Cui

,

Yixin Cao

,

Yiming Dong

,

Rui Song

,

Zhaoping Song

Abstract: Bismuth tungstate (Bi2WO6) is a typical bismuth-based visible-light-responsive semiconductor photocatalyst that has attracted significant attention in the fields of environment remediation and energy conversion. In this paper, to address the issues of high photogenerated carrier recombination rate and limited visible-light response range of Bi2WO6, various modification strategies are highlighted, including morphology control, element doping, heterojunction construction, carbon material compositing, and coupling with functional materials such as MOFs, COFs, or conductive polymers. Furthermore, the structure-activity relationships are discussed. On this basis, the latest application progress of Bi2WO6-based photocatalysts in fields such as pollutant degradation, antibacterial activity, and energy conversion and storage is summarized. Finally, prospects are put forward regarding the existing shortcomings and future development directions in the application of Bi2WO6-based photocatalysts, aiming to provide a systematic theoretical reference for the design and application of high-performance Bi2WO6-based photocatalysts.

Article
Chemistry and Materials Science
Medicinal Chemistry

Gulam Muheyuddeen

,

Stuti Verma

,

Priyanka Yadav

,

Mohd Yaqub Khan

,

Suvaiv

,

Lokesh Agrawal

Abstract: Introduction: Tetrazole and thiazolidine-4-one derivatives are important heterocyclic scaffolds with diverse pharmacological activities, including antimicrobial and antioxidant effects. This study focuses on the design and synthesis of novel Schiff base–derived analogues using a green synthetic approach to improve biological efficacy and reduce environmental impact. Methods: Schiff bases (2a–2h) were synthesized using tetrabutylammonium iodide as a green catalyst in aqueous medium. These were further converted into tetrazole (3a–3h) and thiazolidine-4-one (4a–4h) derivatives using sodium azide and thioglycolic acid. Structures were confirmed by FTIR, ¹H NMR, and ¹³C NMR spectroscopy. Antioxidant activity was evaluated using the DPPH assay, while antimicrobial activity was assessed by the zone of inhibition method. Molecular docking was performed against Penicillin-Binding Protein 4 (3ZG8), CYP51 (5V5Z), and 1OAF. Results: Compounds 2a, 2b, 3a, and 4a showed strong antifungal activity, exceeding standard drugs. Compounds 2d, 3b, and 4b exhibited superior antibacterial activity. Several derivatives demonstrated higher antioxidant activity than ascorbic acid. Docking studies confirmed stable ligand–protein interactions, with compound 4f showing the highest binding affinity. Discussion: Substituent variation influenced biological activity. Electron-donating and withdrawing groups affected potency. Docking results supported experimental findings and confirmed target interactions. The green synthesis improved efficiency and reduced environmental risk. Conclusion: These derivatives show promising antimicrobial and antioxidant potential. Compound 4f emerged as a lead candidate for further optimization and drug development.

Article
Chemistry and Materials Science
Chemical Engineering

Xiaoliang Zhang

,

Haidan Cao

,

Jiawei Fang

,

Jun Zhang

,

Lingyun Wang

Abstract: Aluminium powder, an energetic material, is prone to thermal runaway upon water exposure under local heat sources, yet the nonadiabatic mechanisms of micron sized accumulated aluminium powder under localized heating remain unclear. This study employs a proprietary characterization platform to investigate the effects of particle size, water content, and local heat source power on heat transfer in the dry state and on parameters including induction time, onset temperature, peak heat release rate, and reaction heat during the induction and main reaction phases. In the dry state, decreasing particle size enhances effective thermal conductivity and accelerates temperature rise, whereas elevated local heat source power exacerbates thermal inertia. Under local heating upon water exposure, reduced particle size significantly enhances reactivity; the reaction heat of 2 μm powder reaches 983 J/g, approximately fourfoldAs shown in Figure9 that of 106 μm powder. Water content exhibits nonmonotonic regulation, with onset temperature minimizing at 25% water content and 66.4 °C and reaction heat peaking at 33%. Paradoxically, elevated local heat source power suppresses reaction intensity, and reaction heat at 10 W is one sixth of that at 2.5 W, attributed to rapid product layer densification and the steam film barrier effect shifting the controlling mechanism from chemical to diffusion control. A coupled multifactorial predictive model incorporating the three factors was established with R2 of 0.92, providing data and guidance for aluminium powder storage hazard prevention.

Article
Chemistry and Materials Science
Electronic, Optical and Magnetic Materials

Zhen Meng

,

YuanYuan Jiang

,

HengLe Si

,

JiCun Zheng

,

HongGang Sun

,

GuoQiang Liu

Abstract: Zn2SnO4 is a promising anode for lithium-ion batteries owing to its high theoretical capacity, yet its pratical utilization is severely limited by sluggish reaction kinetics, large volume expansion, and unstable electrode/electrolyte interfaces. Here, we intro-duce a dimensionality-reduction strategy that simultaneously boosts capacity and cy-cling stability. Through surfactant-directed crystal growth, acid-etching reconstruction, and hydrothermal carbon coating, compact Zn2SnO4 octahedra are controllably trans-formed into sheet-assembled structures and finally into a core–shell composite with a continuous carbon layer (C@M-Zn2SnO4 (H+)). The continuous structural evolution shortens Li+ diffusion paths, buffers mechanical stress, and stabilizes the sol-id-electrolyte interphase without altering the intrinisic lithium-storage mechanism of Zn2SnO4. As a result, the optimized C@M-Zn2SnO4 (H+) electrode delivers a reversible capacity of 650 mAh g⁻¹ after activation and retains 620 mAh g⁻¹ after 600 cycles at 200 mA g⁻¹, with Coulombic efficiency approaching 100% throughout. This work demon-strates that dimensionality-reduction-assisted structural engineering is an effective strategy for developing high-capacity, long-cycle-life anode materials.

Article
Chemistry and Materials Science
Biomaterials

Ansaya Thonpho

,

Suchai Tanisood

,

Wilaiwan Simchuer

,

Yodthong Baimark

,

Prasong Srihanam

Abstract: In this work, we extracted silk fibroin (SF) by a tertiary solvent system (CaCl2:Ethanol:H2O), and then blended with chitosan (CS) solution to construct microparticles using the water−in−oil−emulsion−diffusion method. The mixture of SF/CS solution aqueous phase; W) was prepared at ratios of 4:0, 3:1, 1:1, 1:3, and 0:4, using ethyl acetate as the oil phase (O). After the microparticles were prepared, their morphology was examined using scanning electron microscopy (SEM). The results indicated that the optimal preparation conditions were a 1% (w/v) aqueous phase with a volume of 1 milliliter, 100 milliliters of oil phase, and a stirring speed of 700 rpm. The average microparticle size was 50−100 micrometers.ATR−FTIR spectra showed unique functional groups of SF and CS, as well as interactions between the two polymers. The results of the thermal property study using a TGA instrument showed that SF microparticles had a higher maximum decomposition temperature (Td, max) than chitosan, and the blended microparticles' Td, max increased with the proportion of SF. Most microparticles exhibited a semi-crystalline polymer structure, with SF microparticles being the most hydrophobic, followed by blended microparticles and CS, respectively. Testing for absorption capacity, the SF microparticles were more effective at absorbing used engine oil than vegetable oil and chloroform, while CS microparticles showed the highest capacity for vegetable oil.The experimental results indicated that all SF/CS blended particles played an efficiency of absorption variable by ratios of SF or CS blended. This suggested that the prepared microparticles might be useful for oil/water separation application.

of 431

Prerpints.org logo

Preprints.org is a free preprint server supported by MDPI in Basel, Switzerland.

Subscribe

Disclaimer

Terms of Use

Privacy Policy

Privacy Settings

© 2026 MDPI (Basel, Switzerland) unless otherwise stated