Chemistry and Materials Science

Abstract:

The series of ceramics with a host composition corresponding to popular 45S5 bioglass doped with manganese ions was prepared using the modified sol-gel technique with a citric acid as a catalyst. The same line of ceramics, for the first time in the case of bioactive glasses or ceramics, was obtained in the procedure applying an addition of a plant extract – aloe vera one -as a surfactant to get more porous material. The structure and properties of the glasses were characterized with SEM, XRD, DSC, Raman and IR spectroscopy. All samples, regardless the Mn ions concentration, are bioactive as it was shown by in vitro immersion in artificial plasma – increase of manganese content improves the bioactivity of the material. The addition of aloe vera gel leads to a significant increase in the surface porosity of the samples; its scale is correlated with content of the aloe vera. Studies reveal that Mn exists in tetrahedral positions coordinating oxygen and reducing concentration of NBO. An addition of aloe vera change this situation lowering cross-linking of the ceramic glassy host. Amount of aloe vera in the presence of Mn dopant plays an important role in speeding the growth of phosphate compounds layers. The phosphorous layer growth during immersion in SBF is both quicker and more intense in the case of material prepared with the plant extract. This study reveal, using Raman 3D mapping, that the HpA is not located only at the surface of the samples but also in the volume and that its volume concentration is bigger than the surface one.

Abstract: The field of skin tissue engineering has rapidly advanced in recent years. This advancement has been driven by the increasing need to address biocompatibility, fabrication techniques, antimicrobial properties, hemostatic properties, and porosity of the materials used for tissue repair and regeneration. This review focuses on three common materials for scaffold fabrication in skin tissue engineering, cellulose, chitosan, and gelatin. As the most common natural organic polymer on Earth, cellulose is a readily available and renewable material that is distinguished by a remarkable combination of advantages. These advantages include biocompatibility, biodegradability, renewability, and good mechanical strength, rendering it a nontoxic and environmentally friendly substance. The benefits of chitosan include its antimicrobial and hemostatic properties, while gelatin enhances cell adhesion and proliferation, contributing to the scaffold’s overall biocompatibility. The inherent porous structure of these materials supports fluid flow, cell infiltration, and nutrient transport, creating a conducive environment for tissue repair and regeneration. In addition, this review highlights improved techniques in fabricating a durable scaffold. It also addresses the challenges in fabrication, such as controlling the pore size and uniformity of the pores and structure within the scaffold. This is crucial for cell growth and tissue regeneration. These insights contribute to a deeper understanding of tissue repair and underscore the importance of using scaffolds and multilayered materials in skin tissue regeneration. Further research in skin tissue engineering will be essential for overcoming existing challenges and realizing the full potential of cellulose, chitosan, and gelatin in tissue engineering.

Abstract: The growing demand for environmentally friendly energy storage materials has sparked interest in biomass-derived activated carbon for supercapacitor electrodes. The study looks at the physicochemical properties of chicken litter as a prelude to biochar manufacturing for supercapacitor applications. Poultry litter samples were characterised using proximal, ultimate and compositional analysis to determine their suitability for carbon material synthesis. The results revealed that poultry litter comprises 43.06% carbon, 6.13% hydro-gen, and 40.68% oxygen, as well as 70.26% volatile matter and 18.51% fixed carbon. The inorganic fraction contained large amounts of calcium (4.12%), potassium (3.42%), and silicon (0.89%), which could influence porosity growth during activation. The higher heating value (16.86 MJ kg⁻¹) implies moderate energy content. Based on these properties, poultry litter shows promise as a low-cost, abundant feedstock for producing porous car-bon materials suitable for supercapacitor electrodes, especially when combined with ap-propriate activation strategies to increase surface area and electrochemical performance.

Abstract: The identification of natural yellow dyes in ancient textiles is complicated, regardless of whether destructive or non-destructive techniques are used. The main limitation is the need for sampling, followed by deterioration and interference by the materials used in consolidation and restoration processes. In addition, different yellow dye sources share the same main fluorophores or components such as luteolin, kaempferol, and quercetin-based chromophores. We propose a minimally invasive methodology to identify sweet-scented marigold (Tagetes lucida), zacatlaxcalli (Cuscuta tinctoria), and weld (Reseda luteola). This methodology was tested on yellow wool samples that were dyed in an artisan workshop in the last 3 to 10 years. Another two samples of yellow wool fibres were obtained from the textile collection of the Franz Mayer Museum in Mexico City. Confocal scanning laser microscopy (CSLM), micro-Raman spectroscopy, attenuated total reflectance Fourier transformed infrared spectroscopy (ATR-FTIR), and variable pressure environmental scanning electron microscopy (VP-ESEM) were used to analyse the samples. The CLSM results showed that dyes are absorbed into the matrix of the fibres. The wool and dyes presented different emission spectra, which can be associated with the main groups of autofluorescent compounds in plants. The FTIR-ATR results supported the proteinaceous origin of the fibres, and the chemical composition and molecular structure of the autofluorescence phytocompounds were identified by micro-Raman spectroscopy. The findings indicate that the proposed methodology is adequate for identifying natural yellow dyes in wool fibres and can be applied to cultural heritage textiles.

Abstract: A series of molecularly imprinted polymers (MIPs) based on hydroxypropyl-β-cyclodextrin (HPCD) crosslinked with 1,6-hexamethylene diisocyanate (HMD) or toluene diisocyanate (TDI), as well as hybrid chitosan–HPCD polymers crosslinked with genipin, were synthesized using levofloxacin and fluorescein as template molecules. The structure and spatial organization of the obtained materials were characterized by FTIR spectroscopy, FTIR microscopy mapping, and ζ-potential measurements. The influence of pH, crosslinker content, and template structure on sorption performance was investigated. All MIPs exhibited maximum sorption at pH 3.0. The highest sorption capacity toward levofloxacin was achieved for the Chit–HPCD–G polymer (74.8 mg/g), whereas the fluorescein-imprinted HPCD–TDI (1:1) MIP demonstrated the highest sorption capacity (135.5 mg/g) and selectivity coefficient (84.1). Dynamic column experiments con-firmed efficient analyte extraction, reducing the analyte concentration by more than 90% after ten loading cycles. All synthesized MIPs exhibited excellent regenerability, with less than 3% loss of sorption efficiency after ten consecutive sorption–desorption cycles. The applicability of the developed sorbents to real matrices was demonstrated using milk and blood plasma samples after minimal sample preparation. Fluorescein extraction efficiencies reached 97.6% and 93.6% for milk and plasma, respectively. The obtained results demonstrate that HPCD-based MIPs combine high sorption capacity, exceptional selectivity, operational stability, and applicability to complex biological matrices, making them promising materials for selective sample preparation, analyte pre-concentration, and controlled drug delivery systems.

Abstract: Pyroligneous liquor (PL) is a by-product of charcoal production with potential applications in agriculture, forestry, and industry. This study evaluated the influence of carbonization temperature on the yield, chemical composition, and physicochemical properties of PL obtained from Eucalyptus spp. in a sustainable kiln-furnace system. PL fractions were collected at four temperature intervals: T1 (60–170 °C), T2 (171–270 °C), T3 (271–350 °C), and T4 (351–400 °C). Gas chromatography–mass spectrometry (GC-MS) identified 78 organic compounds, mainly carboxylic acids, phenolic compounds, alcohols, carbohydrates, and aromatics. The highest PL yield was obtained in T3, accounting for 27% of the recovered liquor and showing high phenolic content, including syringol and catechol. In contrast, T1 showed the lowest yield and was dominated by carboxylic acids, particularly acetic acid. Carbonization temperature affected both PL composition and physicochemical properties, resulting in higher electrical conductivity and vegetable tar content at higher temperatures. Hierarchical cluster analysis revealed distinct compound groups according to their concentration patterns across the evaluated temperature intervals. The results demonstrate that temperature-controlled fractionation effectively produces PL fractions with distinct chemical profiles, supporting the selective recovery of value-added compounds for forest biomass biorefineries.

Abstract: Sericin, a silk-derived protein recovered as a by-product of the textile industry, is a re-newable biomacromolecule with considerable potential for sustainable material devel-opment. Chemical modification represents an effective strategy for its valorization. In this study, acetylation using acetyl chloride (AcCl) was selected as a model reaction to systematically investigate the reactivity of sericin in an N,N-dimethylacetamide/lithium chloride (DMA/LiCl) solvent system and to evaluate the in-fluence of reaction parameters on both the extent of functionalization and protein sec-ondary structure. A Design of Experiments (DoE) strategy, comprising an initial full factorial screening followed by Box–Behnken optimization, was employed to investi-gate the effects of AcCl equivalents, sericin concentration, and LiCl content. A quanti-tative FTIR workflow based on constrained Gaussian deconvolution was developed to derive functionalization (FI) and β-sheet (BI) indexes from both peak areas and peak in-tensities, enabling the simultaneous evaluation of chemical modification and structural organization. The exploratory screening identified AcCl as the dominant factor govern-ing sericin functionalization. During the optimization phase, the FI models described the general response trends, whereas the BI was successfully represented by robust quadratic models (R² = 0.977–0.978; adjusted R² = 0.936–0.938), revealing significant line-ar, interaction, and quadratic effects, with LiCl concentration and sericin concentration playing key roles in governing structural organization. The analytical workflow was verified by reproducibility assessment and independent validation experiments. Over-all, this study proposes a quantitative DoE–FTIR framework for systematically investi-gating sericin functionalization and its associated structural evolution, providing a support for future studies aimed at sericin industrial valorization.

Abstract: Antimicrobial peptides (AMPs) are increasingly regarded as next-generation antimi-crobial agents because of their broad-spectrum activity, rapid killing, antibiofilm po-tential, immunomodulatory properties, and mechanisms of action that differ from those of many conventional antibiotics. Most AMPs are short, cationic, and amphipathic molecules that interact with negatively charged microbial envelopes. However, their biological activities extend beyond membrane disruption and include intracellular targeting, immune modulation, endotoxin neutralization, and interference with biofilm formation. Despite these advantages, the clinical translation of AMPs remains limited by proteolytic instability, hemolysis or cytotoxicity, poor pharmacokinetics, salt and serum sensitivity, production costs, and delivery challenges. The AMP field is now shifting from natural peptide discovery toward integrated engineering pipelines that combine rational peptide modification, biomaterial-based delivery, high-throughput screening, and artificial in-telligence/machine learning (AI/ML). Chemical and structural modifications, including D-amino acid substitution, cyclization, lipidation, PEGylation, terminal amidation, hy-drocarbon stapling, hybridization, sequence truncation, metal coordination and immo-bilization onto biomaterials, are being used to improve stability, potency, selectivity, antibiofilm activity, and tissue localization. In parallel, AI/ML approaches now enable the large-scale mining of microbiomes, extinct proteomes, venom-derived sequences, and de novo peptide sequence space. Recent predictive, generative, and optimization-based AI/ML approaches now accelerate AMP discovery by mining large biological datasets, identifying cryptic antimicrobial sequences, generating de novo peptide candidates, and optimizing multiple properties, including potency, selectivity, stability, toxicity, and synthesizability. This focused review summarizes recent advances in AMP research, highlights engineering strategies used to endow AMPs with improved biological and pharmacological properties and discusses how AI/ML is reshaping antimicrobial peptide discovery in the context of antimicrobial resistance.

Abstract: Technological development in surface treatment for biomedical implants has advanced rapidly, yet the integration of additive manufacturing with controlled nano topography remains underexplored. This study investigates a novel bioactive kinetic screw (BKS) produced by 3D printing and CNC machining, followed by different anodization treatments: plasma electrolytic oxidation (PEO), hard anodization (HA), and soft anodization for TiO₂ nanotube (TNT) formation. Scanning electron microscopy revealed that PEO created a uniform macro–micro porous surface with pore sizes ranging from 5–15 µm and porosity values of 22.4 ± 3.2%, while HA produced smaller, less homogeneous pores (0.5–2 µm, porosity 10.7 ± 2.6%). TNTs were successfully formed with an average diameter of 80 ± 12 nm, although distribution was non-uniform in screw grooves. Finite element analysis demonstrated that Ti6Al4V nanotubes (diameter 50 nm, length 500 nm) withstood applied torque with maximum von Mises stress of 1.5 × 10⁻⁸ N/nm² and maximum strain of 3.56, indicating mechanical resilience compatible with early implant loading. The findings confirm that 3D-printed BKS implants with nanotextured anodic surfaces present enhanced bioactivity, improved wettability, and potential to promote osteoblast adhesion and differentiation. This combination of additive manufacturing with controlled surface nano topography offers a promising strategy for next-generation bone and dental implants.

Abstract: Nickel-titanium (NiTi) stents have been widely used for the palliative treatment of portal vein tumor thrombi due to their excellent mechanical strength and biocompatibility. However, traditional NiTi implants lack active antitumor functions, which can easily lead to tumor re-invasion and subsequent restenosis. Electro-stimulation (ES)-based ablation therapy offers a controllable physical strategy for local tumor clearance; however, the naturally formed TiO₂ layer on the NiTi surface limits its interfacial electrical activity. In this study, an electro-responsive sorafenib-loaded polypyrrole (PPy) film (NiTi-PPy-S) was fabricated on the NiTi surface via electrochemical deposition. The results indicate that the electrochemically deposited PPy film increases the electrical conductivity of NiTi from approximately 1.3 S cm⁻¹ to 3.4 S cm⁻¹. After loading with sorafenib, NiTi-PPy-S retains good electrochemical responsiveness and exhibits voltage-dependent drug release characteristics. Mechanistically, the antitumor effect is closely associated with ES-triggered Ca²⁺ influx, mitochondrial Ca²⁺ overload, mitochondrial membrane potential collapse, and activation of the Caspase-3 apoptotic pathway. This study demonstrates that electro-responsive PPy can transform passive NiTi implants into active antitumor therapeutic interfaces, providing a promising strategy for the development of multifunc-tional implants for the treatment of portal vein tumor thrombi.

Abstract: Objective: This study aimed to produce and characterize nanofiber membranes (PLGA/HA@LMWH) containing Poly(lactic-co-glycolic acid)/Hyaluronic Acid (PLGA/HA) immobilized with low molecular weight heparin (LMWH), and to investigate their physical and chemical effects in preventing intraabdominal adhesions in a rat model using multidisciplinary methods. Materials and Methods: Forty female Wistar Albino rats were divided into four groups (n=10). Cecal abrasions were induced in three groups: treated with PLGA/HA membrane (NFM), PLGA/HA@LMWH membrane (NFM+H), and 0.9% NaCl (SS). The fourth group underwent laparotomy only. On day 21, rats were sacrificed and evaluated macroscopically, histopathologically, immunohistochemically, and biochemically. Results: Macroscopic adhesion, inflammation, fibrosis, neovascularization, collagen scores, and TGF-β1 expression were found to be high in the SS and NFM groups; while a significant decrease (p < 0.05–0.01) was detected in all of these values in the NFM+H group. NF-κB activation was significantly decreased in the NFM and especially the NFM+H groups compared to the SS group (p < 0.05). In addition, apoptosis was suppressed in the NFM+H group with increased Bcl-2 and decreased cleaved caspase-3. Conclusion: PLGA/HA@LMWH membrane reduced peritoneal adhesions by suppressing inflammation, fibrosis, neovascularization, and collagen deposition, lowering TGF-β1 expression and NF-κB and p-NF-κB levels, and suppressing apoptosis. However, large-scale studies are needed for clinical use.

Abstract: Hydrocolloids, particularly natural polysaccharides and the hydrogels derived from them, have evolved from passive rheology modifiers into functional delivery matrices for phar-maceutical and cosmetic applications. This review focuses specifically on hydrocol-loid-based systems and examines how their material chemistry and network architecture translate into controlled swelling, bioadhesion, mechanical performance, biocompatibility, and stimulus-responsive release. Key classes of hydrocolloids, including alginate, chi-tosan, hyaluronic acid, pectin, carrageenan, dextran, gellan gum, collagen, and cellulose derivatives, are discussed in relation to their physicochemical properties and formulation potential. Rather than reviewing smart polymers in general, we analyse pH-, enzyme-, re-dox-, thermo-, and externally triggered responses in the specific context of hydrocolloid chemistry and hybrid hydrocolloid architectures. Particular attention is given to oral, transdermal, injectable depot, wound-healing, and regenerative applications, as well as to cosmetic and cosmeceutical platforms for active stabilisation, controlled dermal delivery, barrier support, and personalised skincare. By linking material class, trigger mechanism, and application route, the review clarifies the distinct role of hydrocolloids in next-generation delivery systems and identifies the major translational barriers, regulatory constraints, and emerging opportunities, including multi-responsive constructs, 3D printing, and sensor-integrated patches.

Abstract: Gold and Silver nanoparticles were fabricated using Camellia sinensis extracts, the Camellia sinensis serves as a dual role playing the role of reductant and stabilizers in the reduction of silver and gold and silver ions into the free states and potentially stabilized the surface of the synthesized silver nanoparticles. The synthesized Camellia sinensis stabilized silver and gold nanoparticles were characterized using Fourier Transform Infrared spectroscopy, Thermal analysis, Scanning electron microscope, Transmission electron microscope, Powder X-ray diffraction techniques, Microanalysis and uv/visible spectroscope. The localized surface plasmon resonance appeared at 401nm and gold 535nm. The synthesised green tea-AgNPs were used for the detection of heavy metals such as (copper, nickel and gold) and removal of copper from aqueous solution, the results obtained the ability of the Camellia sinensis stabilized AgNPs(GT-AgNPs) to be used as a portable sensor for the detection of heavy metals and subsequently used for the removal of heavy metals from aqueous solutions. The synthesized green tea stabilized gold nanoparticles were used for the detection of silver, nickel and copper.

Abstract: Collagen-based biomaterials possess many advantages, such as low immunogenicity, biodegradability, biocompatibility, hydrophilicity, and ease of processability. Nevertheless, natural collagen has inherent limitations as an in vivo scaffold, including insufficient mechanical strength, low thermal stability, and low resistance to enzymatic degradation. To overcome these drawbacks, various approaches have been studied, such as mixing collagen with other biopolymers or inducing physical and chemical crosslinking. However, using non-biologically derived polymers or crosslinking agents carries the risk of persistence in the body, potentially causing cytotoxicity. Considering this, recent studies have reported that the molecular flexibility of collagen networks can be improved by activating the carboxyl groups of collagen chains using 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide and N-hydroxysuccinimide and then crosslinking them through amide bonding with the amino groups present in the collagen chains, or by adding free L-lysine to induce a crosslinking reaction. When the carboxyl groups of collagen are activated and form covalent bonds with amino groups, native ionic interactions (e.g., salt bridges) may be reduced, which can potentially influence the stability of its inherent higher-order structure. In this study, we aimed to simultaneously secure mechanical reinforcement and cellular compatibility by maintaining unique ionic interactions and a hierarchical structure through cross-linking that selectively targets amines while preserving collagen carboxyl groups. First, free L-glutamic acid was pre-activated to cross-link collagen chains through amide bonds with the amino groups of L-lysine residues, thereby preventing the collagen carboxyl groups from participating in the cross-linking reaction. By controlling the concentration of L-glutamic acid, the cross-linking rate of the collagen could be controlled within a range of 3.5% to 36.7%. All cross-linked collagen scaffolds exhibited higher tensile strength compared to non-cross-linked scaffolds. Although the scaffolds with a high cross-linking rate (36.7%) displayed excellent mechanical properties, their cellular compatibility was relatively low. Conversely, collagen scaffolds with cross-linking rates of 3.5% and 12.4% demonstrated excellent mechanical properties and very high cellular compatibility, suggesting potential applications in the fields of biomedicine and tissue engineering.

Abstract: Long-term clinical translation of left ventricular assist devices (LVADs) is severely hampered by thromboembolism and device-related infection, both originating from inadequate biocompatibility of the device-blood interface. Current titanium surface modifications fail to simultaneously deliver durable antithrombotic and antibacterial performance, while conventional polydopamine-copper (PDA-Cu) coatings suffer from inherent limitations. Herein, we report a one-step rapid co-polymerization strategy based on mussel-inspired polyphenol chemistry to fabricate a copper-integrated polydopamine/tannic acid nanocoating on titanium (Ti/PDT(Cu)). By incorporating tannic acid rich in catechol/pyrogallol moieties, we achieve synergistic acceleration of dopamine oxidative polymerization with copper ions, dramatically shortening the fabrication time to 8 h (vs. >24 h for traditional PDA coatings). This process simultaneously constructs a robust dual-crosslinked network through covalent/hydrogen bonds and metal-phenolic coordination, exhibiting a uniform nanoscale-roughened structure. Comprehensive physicochemical characterizations confirm homogeneous coating deposition, excellent hydrophilicity, uniform Cu distribution, and superior long-term structural stability (95.68% thickness retention after 7 days of physiological immersion). The optimized coating displays broad-spectrum and durable antibacterial activity, with 92.79% and 89.73% reduction of E. coli and S. aureus at 24 h, respectively, and retains >89% antibacterial efficacy after 7 days of continuous elution. Moreover, the coating enables stable and sustained catalytic nitric oxide generation (43.85 ± 2.36 μM cumulative release over 14 days) that mimics endothelial function, resulting in 69.4% inhibition of platelet adhesion and an ultralow hemolysis ratio of 0.97%. Critically, it maintains excellent cytocompatibility with L929 fibroblasts (>90% cell viability after 72 h co-culture). This work overcomes the key bottlenecks of conventional PDA-based functional coatings, realizes synergistic antithrombotic and antibacterial dual functions tailored for LVAD implantation, and provides a facile and robust surface engineering platform for long-term implantable cardiovascular devices.

Abstract: The development of 3D printing high impact denture bases is challenging, as materials exhibiting both high flexural strength/modulus and fracture toughness are required. Nowadays, most of the commercially available 3D printing denture bases contain signifi-cant amounts of crosslinking monomers and therefore behave as brittle materials. In this contribution, urethane dimethacrylate DMA1/(octahydro-4,7-methano-1H-indenyl)methyl acrylate (OMIMA) 1/1 (wt/wt) formulations containing a poly(ɛ-caprolactone)-polydimethylsiloxane-poly(ɛ-caprolactone) (PCL-PDMS-PCL) triblock copolymer (BCP1) and fumed silica SiO₂-NPs were evaluated for DLP 3D printing of frac-ture tough denture bases. The post-curing step was performed at various temperatures (RT, 60°C, 80°C, 100°C and 120°C). This parameter was shown to strongly influence the Tg and mechanical properties of 3D printed materials. A post-curing temperature of 100°C was found to be ideal. Under these conditions, 3D printed materials exhibiting excellent mechanical properties were successfully obtained. Furthermore, the amounts of BCP1 and SiO₂-NPs were varied. The formulation containing 8.0 wt% of BCP1 and 10.0 wt% of SiO₂-NPs was able to fulfill the ISO 20795-1:2013 requirements in terms of flexural strength/modulus and fracture toughness for denture bases with improved impact re-sistance. This material showed better performance than the commercially available for-mulations Printodent® GR-14.2 denture HI and Lucitone Digital PrintTM 3D denture base.

Abstract: There is a rapidly rising demand for cosmeceutical solutions of skin lightening/brightening, due to the growing need for dermatologic applications and consumers' preference to enhance the brightness of skin. Traditionally, the main ingredients for developing dermatological products were the potentially harmful and controversial hydroquinone compounds; however, in recent years, the research field experienced a transition towards safer antioxidant-based agents. The present review analyzes the application and use of antioxidants in modern cosmetics as an innovative approach, and the chemical and biological mechanisms of their functions that could revolutionize the industrial applications. The most effective ones include competitive inhibition of tyrosinase enzyme, pheomelanin switch through the help of glutathione, protection from reactive oxygen species (ROS) in order to inhibit UV-stimulated production of melanin, as well as prevention of the migration of melanosomes using niacinamide. The review identifies and analyzes several components used as ingredients, such as vitamins C, Niacinamide, vitamin E, licorice root, and other natural compounds, such as EGCG or resveratrol, among many more. In spite of their high efficiency, there are numerous problems associated with the instability, dermal irritation, and absorption of pure antioxidants. Therefore, various pharmaceutical methods to improve their properties, e.g., encapsulation and structural modification into tetrahexyldecyl ascorbate, are analyzed. Finally, the legal framework developed by the FDA and EU, potential risks like pro-oxidation damage, and future perspectives such as personalized skincare via machine learning and artificial intelligence (AI) are discussed.

Abstract: The de novo design of symmetric protein nanocages has emerged as a major frontier in programmable biomolecular engineering due to its potential applications in nanomedicine, vaccine development, molecular encapsulation, catalysis, and synthetic cellular systems. Despite substantial progress in computational protein design, the reliable construction of large polyhedral assemblies remains limited by kinetic mis-assembly, off-pathway oligomerization, interface instability, and low experimental success rates. This study presents a computationally integrated framework for the design of programmable icosahedral protein nanocages with improved assembly fidelity. The proposed strategy combines symmetry-guided scaffold selection, Rosetta-based symmetric docking, RFdiffusion-driven interface backbone generation, ProteinMPNN sequence optimization, and AlphaFold2-Multimer computational filtering to produce experimentally tractable cage architectures. The target system consists of a two-component assembly formed from trimeric and dimeric oligomeric building blocks organized into a 60-subunit icosahedral nanocage approximately 25 nm in diameter. The framework emphasizes reduction of non-specific intermolecular interactions through interface-specific design constraints and computational pre-screening of unstable configurations. Predicted outcomes indicate that the integration of diffusion-based backbone generation with sequence-level optimization and AF2-based structural validation substantially improves the likelihood of obtaining stable self-assembling cages while reducing experimental screening burdens. The study further evaluates how this integrated workflow compares with existing approaches in symmetric protein cage engineering. Collectively, the proposed methodology provides a scalable route toward high-fidelity programmable protein nanomaterials and contributes to the broader development of de novo self-assembling biomolecular systems.

Abstract: The performance and long term reliability of nickel–titanium (NiTi) alloys in biomedical applications are strongly governed by surface related degradation processes, in which the adhesion and interfacial stability of protective coatings play a critical role. This review examines ceramic, polymer, and hybrid coatings applied to NiTi substrates, with particular emphasis on adhesion mechanisms, interfacial mechanics, and tribocorrosion behavior under coupled mechanical and electrochemical loading conditions. The analysis demonstrates that coating durability is controlled by the interplay between adhesion characteristics, mechanical compatibility, and functional thickness. Thin coatings provide favorable strain accommodation but limited wear resistance, whereas thicker layers improve barrier performance at the expense of increased susceptibility to interfacial stress accumulation and cracking. Ceramic coatings offer excellent corrosion and tribological performance but are prone to adhesion related failure under large deformation, while polymer coatings enhance interfacial compliance at the cost of reduced long term durability. Multilayer and graded architectures are shown to improve adhesion durability and delay delamination by redistributing interfacial stresses and decoupling protective and deformational functions. Coating degradation in NiTi systems is therefore a multiphysical phenomenon involving the coupled action of mechanical damage, electrochemical reactions, tribological interactions, and martensitic transformation. Despite significant progress, key challenges remain, including limited long term fatigue data, insufficient tribocorrosion studies under fully coupled conditions, and the lack of predictive models linking interfacial design with coating durability. This review highlights the need for integrated, adhesion oriented design strategies for advanced coating systems in NiTi biomedical applications.

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.