Journal of Cluster Science最新文献

The development of high-performance visible-light photocatalysts is pivotal for advancing environmental remediation. While metal-organic frameworks (MOFs) show great promise as precursors, their photocatalytic efficiency hinges on precise pyrolysis control. This study presents a novel bismuth-doped photocatalyst (Bi@Cu-MOF-N500), fabricated through in-situ bismuth incorporation and subsequent calcination under a nitrogen atmosphere. This critical step successfully transforms the precursor into a CuO/Bi₂O₃ composite while uniquely preserving its porous architecture and surface hydroxyl groups. The resulting material exhibits a narrow band gap of 1.76 eV and demonstrates exceptional photocatalytic activity, achieving a 96.80% degradation rate of gentian violet (GV), which significantly outperforms its air-calcined counterpart. Mechanistic investigations reveal that the unique microstructure facilitates efficient charge carrier separation and migration, with hydroxyl radicals (·OH) being the dominant active species. This work highlights the profound impact of the calcination atmosphere on MOF-derived materials and offers a valuable strategy for designing advanced photocatalysts for wastewater treatment.

Graphical Abstract

A novel Bi@Cu-MOF photocatalyst was synthesized via an in-situ precipitation method and subsequently calcined under nitrogen and air atmospheres at high temperature, which exhibited exceptional degradation performance on GV.

Green synthesis of gold nanoparticles (AuNPs) using plant extracts offers an eco-friendly alternative to conventional chemical approaches. Yet, the influence of capsaicinoid content in Capsaicin spp. extract on the physicochemical and biological properties of AuNPs has not been systematically evaluated. This study, AuNPs were synthesized using three different Capsicum spp. i.e., Capsicum annuum (PM), Capsium chinense (KT), and Capsicum frutescens (CH). Capsaicinoid profiles in all extracts were determined using LC-MS/MS, the physicochemical characteristic of synthesized AuNPs were analyzed using UV-Vis spectroscopy, PSA, FT-IR, XRD, and TEM. The AuNPs were designated as PM-AuNPs, KT-AuNPs, and CH-AuNPs. The AuNPs then were assessed for their antioxidant activity by DPPH assay, and cytotoxic effects against HEK 293 kidney embryonic and MCF-7 breast cancer cells were evaluated using MTT. The potential anticancer activity was continued using live-dead staining and apoptosis assays. LC-MS/MS confirmed variations in capsaicin levels across the three extracts. UV-Vis spectra exhibited SPR peaks at 548 to 562 nm for AuNPs. The AuNPs had particle sizes ranged from 9.77 to 78.22 nm with a stars shape in KT and CH AuNPs and a spherical shape in PM-AuNPs, with zeta potentials below − 30 mV, indicating stable colloids of AuNPs. The FT-IR analysis suggested the involvement of phenolic and amide groups in nanoparticle capping and stabilization. Among the AuNPs produced, CH-AuNPs demonstrated the highest antioxidant activity (37.19 ± 3.79%), while PM-AuNPs exhibited the strongest cytotoxicity properties against MCF-7 cells (IC₅₀ = 131.43 µg/mL), without harming to normal HEK 293 cells. Overall, this study highlights that capsaicinoid content modulates the physicochemical and biological properties of green-synthesized AuNPs, identifying C. annuum is promising candidates for antioxidant and anticancer nanotherapeutics.

Cancer is the second greatest cause of death globally. It is a chronic, diverse disease that can present with a wide range of severe clinical symptoms. The objective of the current study was to assess the anticancer properties of chitosan-conjugated Citrullus lanatus–silver-titanium oxide bimetallic nanocomposites (Cl-CS-Ag@TiO₂ BMNCs) and their effect on the PI3K/AKT/mTOR signaling pathway in HeLa cervical cancer cells. These bioengineered nanocomposites offer an effective substitute therapeutic strategy with improved biocompatibility and potency by targeting and inhibiting the PI3K/AKT/mTOR signaling cascade in HeLa cervical cancer cells. Citrullus lanatus seed extract was used to create Cl-CS-Ag@TiO₂ BMNCs, which were then examined using XRD, DLS, zeta potential, EDX, SEM, and UV-vis spectroscopy. The MTT test was used to measure cytotoxicity in HeLa and normal Ect1/E6E7 cells. Intracellular levels of antioxidants and mitochondrial function (MMP, ATP) were assessed. AO/EtBr dual labelling was used for verifying apoptosis, and RT-PCR was used to evaluate the gene expression of Bax, Bad, Bcl-2, and PI3K/AKT/mTOR pathway markers. Dose-dependent cytotoxicity was observed in HeLa cells with an IC₅₀ of 7 µg/mL while showing minimal toxicity to normal cervical Ect1/E6E7 cells. Additionally, the treatment altered mitochondrial function, lowering ATP and MMP values and increasing internal ROS, which may indicate oxidative stress-induced apoptosis. At the IC₅₀ dosage, 77.45% of cells were proven to be apoptotic by AO/EtBr dual labelling. Cl-CS-Ag@TiO₂ BMNCs effectively suppressed proliferation and induced apoptosis at the cellular level by upregulating pro-apoptotic genes (Bax, Bad), downregulating anti-apoptotic Bcl-2, and dramatically inhibiting the PI3K/AKT/mTOR signalling pathway. All things considered, biogenically generated Cl-CS-Ag@TiO₂ BMNCs have strong anticancer effects on cervical cancer cells. Before being used in clinical settings, more in vivo research is necessary to confirm the potential for therapy.

Graphical Abstract

Schematic Representation of Cl-Ag@TiO2 nanoparticles mediated by Citrullus lanatus seed: A novel target for cervical cancer therapy via suppression of PI3K/AKT/mTOR signaling pathway

Compared with peroxidase, oxidase does not rely on H₂O₂ as a substrate, and usually has high selectivity towards substrates, catalyzing specific oxidation reactions. Fortunately, in the work, mono V-substituted phosphomolybdic acid H₄[PMo₁₁VO₄₀] (PMo₁₁V₁) was the first substance to be discovered with similar enzymatic activity and exhibited an extremely rapid reaction rat. Where the coexistence of Mo⁶⁺/Mo⁵⁺ and V⁵⁺/V⁴⁺ after the reaction implies that the transformation between elemental oxidation states dominates the reaction mechanism, rather than a unidirectional decrease. More specifically, high valent Mo and multi-valent V can catalyze the oxygen in water to generate O₂^·−, ·OH, and H₂O₂, a cascade catalytic reaction, further catalyze H₂O₂ into ·OH. With the reducibility of tannic acid (TA), a convenient, sensitive and effective colorimetric platform for TA detection was successful established, which shows good respond toward TA with a linear relationship in the range of 0-100 µM and a low detection limit of 0.34 µM. Also the application of the PMo₁₁V₁ sensor for TA detection in real tea was demonstrated and satisfactory results was obtained.

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Psoriasis is a chronic, inflammatory skin disorder affecting millions worldwide. Topical treatment still lacks therapeutic efficacy, even with prolonged treatment periods. The current study focuses on developing dissolvable microneedles (DMN) loaded with berberine glycerosomes (BBR-GM) to enhance skin penetration and therapeutic efficacy. The thin-film hydration method was used to create BBR-GM, which was then optimized using Design-Expert software. The vesicle size of the optimized BBR-GM is 130.1 ± 2.19 nm with PDI of 0.211 ± 0.03, and an entrapment efficiency of 85.5 ± 3.15%. The developed BBR-GM-loaded DMN maintained its structural integrity (folding endurance of 101.52 ± 4.5 and 5.17 ± 0.88 N/mm for the tensile strength), confirming its durability. The in vitro release study revealed that the BBR-GM formulation sustained 77.53 ± 4.98% drug release over 24 h, whereas the BBR suspension released 91.50 ± 3.98% within 6 h. An ex vivo study revealed a 1.8-fold increase in the permeation compared to the drug suspension. A dermatokinetic study found that BBR-GM-DMN retained more BBR in the epidermis and dermis (p < 0.05), due to improved penetration from MN and nanoscale vesicles, resulting in more effective drug delivery. Overall, this dual glycerosome-microneedle approach provides a viable, potentially applicable strategy for enhancing the topical treatment of psoriasis.

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Chronic wound management remains a significant clinical challenge due to persistent infections and delayed tissue regeneration. In this study, the development and the evaluation of polyhydroxyalkanoate-coated magnetic nanoparticles (PHA-MNPs) derived from the cyanobacterium Desmonostoc muscorum as a novel topical agent for wound healing. PHA was extracted from D. muscorum biomass at a yield of 0.56 ± 0.03 g per g dry cell weight and used to coat magnetite nanoparticles synthesized via co-precipitation. The resulting PHA-MNPs were characterized by TEM (mean diameter 18 ± 3 nm), DLS (zeta potential − 25 ± 2 mV), FTIR, GC-MS, and UV–Vis spectroscopy. Antimicrobial activity against Escherichia coli, Staphylococcus aureus, and Pseudomonas aeruginosa was quantified by broth microdilution assays (MICs comparable to ampicillin). Antibiofilm efficacy was assessed in microtiter plate assays, and hemocompatibility by hemolysis testing (< 5% hemolysis at ≤ 200 µg/mL). Cytotoxicity toward human epidermoid carcinoma (A431) and skin fibroblast (HFB4) cells was determined by MTT assays. In vivo wound healing was evaluated in a Wistar rat excisional wound model. Animals received topical low-dose PHA-MNPs (50 mg/kg), high-dose PHA-MNPs (100 mg/kg), Iruxol^® (positive control), or no treatment for 16 days. Wound closure was measured photographically, and tissue samples underwent histopathological analysis. PHA-MNPs exhibited potent antibacterial and antibiofilm activities, selective cytotoxicity (IC₅₀ 45 µg/mL for A431 vs. >200 µg/mL for HFB4), and excellent hemocompatibility. Low-dose PHA-MNP treatment achieved 85 ± 5% wound closure, comparable to Iruxol^® (95 ± 3%) and superior to the high-dose group (60 ± 6%) and untreated controls. Histology confirmed complete epithelialization and robust collagen deposition in low-dose and Iruxol^® groups. PHA-MNPs produced from D. muscorum combine antimicrobial, antibiofilm, and regenerative properties with biocompatibility, representing a promising, sustainable nanobiomaterial for advanced wound care applications.

Nanostructured materials with tailored morphologies exhibit unique physicochemical properties, making them highly attractive for catalysis, sensing, and biomedical applications. In this study, Copper/Cuprous oxide Yolk-Shell Nanostructures (Cu/Cu₂O-YSN) were synthesized via an eco-friendly approach using Cocos nucifera inflorescence (CnI) extracts as a bio-reducing agent in Fehling’s solution. By tuning the redox environment following Le Chatelier’s principle, precise control over nucleation and growth was achieved, leading to well-defined yolk-shell architectures. Real-time UV-Vis spectral analysis monitored the evolution of Cu/Cu₂O-YSN. Characterization techniques (UV-Vis, p-XRD, FE-SEM & EDX, TEM, HR-TEM, and SAED) confirmed the biphasic architecture, comprising cubic Cu and Cu₂O domains, with metallic copper constituting approximately 52% of the material. Yolk-shell formation was driven by interfacial mechanisms such as the nano-Kirkendall effect, Ostwald ripening, and Cabrera-Mott oxidation. A highly negative ζ potential of -48.38 mV indicated excellent colloidal stability due to phytochemical surface functionalization. UV-Vis spectral analysis revealed distinct isosbestic points at 304 nm, 343 nm, and 431 nm, suggesting a two-step electron/proton transfer mechanism (DPPH^• → DPPH⁻ → DPPH-H) during radical scavenging, with antioxidant activity (IC₅₀ = 40.58 µg mL^-1). The Cu/Cu₂O-YSN also demonstrated broad spectrum antibacterial activity, showing high sensitivity toward Gram-positive strains and significant cytotoxicity against human liver cancer cells - HepG2 (IC₅₀ = 25 ± 0.5 µg mL^-1), comparable to doxorubicin. Apoptotic features including membrane blebbing, chromatin condensation, and nuclear fragmentation were confirmed by Acridine Orange (AO/EB) dual staining and 4′,6-diamidino-2-phenylindole (DAPI) imaging. These findings establish green synthesized Cu/Cu₂O-YSN as promising multifunctional nanomaterials for advanced biomedical applications.

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Silver nanoparticles (AgNPs) exhibit unique physicochemical and biological properties that enable a wide-range of applications in medicine, environmental remediation, and chemical sensing. While experimental methods have advanced our understanding of AgNPs, computer simulations have become indispensable for exploring nanoparticle behavior at the atomic scale. This review summarizes recent developments in computational modeling of AgNPs, including silver clusters, using density functional theory (DFT), time-dependent DFT (TDDFT), molecular dynamics (MD), molecular docking, and hybrid methods. Simulation studies elucidate nanoparticle formation, ligand adsorption, surface functionalization, and interactions with biological molecules and chemical environments. Functionalization strategies using plant-derived compounds, peptides, pharmaceutical drugs, ionic liquids, and small organic molecules are critically discussed in relation to nanoparticle stability, surface properties, and functional performance. Applications of coated AgNPs in sensing, antimicrobial treatment, drug delivery, catalysis, and composite material design are discussed, with an emphasis on how simulation-driven insights complement experimental findings. Finally, future directions highlight the growing role of multiscale modeling and biologically realistic simulations in advancing the rational design of AgNPs for biomedical and environmental applications.

This work reports the sustainable synthesis and design of multi-metal ferrite nanocomposites supported by activated carbon (AC) derived from banana stem waste for high-performance energy storage. The AC was obtained through potassium hydroxide (KOH) chemical activation followed by high-temperature carbonization, producing a large surface area of 2271 m²/g and an average pore size of 2.96 nm. Nickel ferrite (NiFe₂O₄), manganese–nickel ferrite (Mn-NiFe₂O₄), and copper–nickel ferrite (Cu-NiFe₂O₄) nanoparticles were synthesized and integrated into the AC matrix using a co-precipitation method. Structural and surface characterizations, including X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), Brunauer–Emmett–Teller (BET) surface area analysis, scanning electron microscopy (SEM), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS), confirmed the successful incorporation of ferrite phases with crystallite sizes between 20 and 28 nm while maintaining high porosity. Electrochemical testing through cyclic voltammetry (CV), galvanostatic charge–discharge (GCD), and electrochemical impedance spectroscopy (EIS) demonstrated improved capacitance, conductivity, and cycling efficiency. The Mn-NiFe₂O₄/AC (Mn-NFAC) composite delivered the best performance, achieving a specific capacitance of 482 F·g⁻¹ at 1.0 A/g and retaining 93.9% of its initial capacitance after 10,000 cycles, surpassing pristine AC and other ferrite composites. Nyquist analysis revealed a low charge-transfer resistance (Rct = 5.29 Ω) and faster ion diffusion. In a symmetric two-electrode configuration, Mn-NFAC reached an energy density of 45 Wh/kg at a power density of 450 W/kg, while maintaining 220 F·g⁻¹ at 3.0 A/g with a power density of 1350 W/kg. These superior properties arise from the synergistic effects of the Mn-based ternary ferrite structure and the tailored porous AC framework, which together provide both electric double-layer capacitance and pseudo capacitance.