Journal of Cluster Science最新文献

{"title":"A Novel Bis(rhodamine)-Fluorene Hybrid for Monitoring of Aluminum, Mercury, and Cyanide in Water and Living Cells","authors":"Kemal Yararli,&nbsp;Abdullah Saleh Hussein,&nbsp;Safaa Altves,&nbsp;Musa Erdogan,&nbsp;Sinan Bayindir","doi":"10.1007/s10876-026-03095-y","DOIUrl":"10.1007/s10876-026-03095-y","url":null,"abstract":"<div><p>In this study, a novel bis-rhodamine-fluorene hybrid probe (BRhF) was synthesized and thoroughly evaluated as a chemosensor candidate. The ion-recognition behavior of BRhF was examined in water and in various buffer systems to assess its detection performance across different environmental conditions. The results showed that the probe exhibited remarkable buffer-regulated selectivity. In water or an acidic buffer, BRhF showed a strong fluorescence response to Hg²⁺ ions but only limited interaction with Al³⁺ ions. On the other hand, in the Tris-HCl buffer at pH 7.4, the probe exhibited increased fluorescence with high selectivity and sensitivity for Al³⁺ ions, with no significant interference from other ions. Competitive ion experiments revealed that the BRhF-Al³⁺ complex is largely irreversible. Among the anions examined, only the CN⁻ ion was found to effectively disrupt this complex, causing fluorescence quenching. This demonstrated that the BRhF-Al³⁺ system could also serve as a selective “turn-off” fluorescence sensor for the quantitative determination of cyanide ions. The detection limits calculated in aqueous media were 460 nM for Al³⁺, 1.18 µM for Hg²⁺, and 1.03 µM for CN⁻. The practical applicability of the developed sensing platform was confirmed by successfully determining Al³⁺ in real water samples and achieving satisfactory recovery values. Cytotoxicity and fluorescence cell imaging studies confirmed that BRhF exhibited good biocompatibility and had potential for bioimaging applications in MCF-7 cells. Overview, BRhF offers a versatile fluorescence probe platform with buffer-controlled analyte selectivity, sequential logic-gate-like recognition behavior, and broad application potential spanning environmental analysis to cellular imaging.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"37 6","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148823165","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Rational Design of Doped Graphitic Carbon Nitride as an Efficient Nanocarrier: A First-Principles Investigation of Drug Binding and Release","authors":"Hawraa Kh. Jabr,&nbsp;Alaa M. Khudhair","doi":"10.1007/s10876-026-03098-9","DOIUrl":"10.1007/s10876-026-03098-9","url":null,"abstract":"<div><p>Graphitic carbon nitride (g-C₃N₄) has garnered substantial interest as a metal-free two-dimensional material for drug delivery applications due to its tunable electronic properties and structural stabilization. To investigate the impact of dual fluorine (2 F) and dual sulfur (2 S) doping on the structural, electronic, and adsorption characteristics of g-C₃N₄ in relation to two anticancer medications, 5-fluorouracil (5-FU) and nitrosourea (NU), density functional theory (DFT) calculations were carried out in this study. Electronic analysis indicates that heteroatom doping significantly alters the band structure, resulting in a reduction of the band gap from 1.421 eV for pristine g-C₃N₄ to 0.249 eV for 2 F-g-C₃N₄ and 0.976 eV for 2 S-g-C₃N₄. This suggests that the surface reactivity is enhanced. NU preferentially adsorbs on 2 F-g-C₃N₄ (-1.163 eV), while 5-FU exhibits the strongest interaction with 2 S-g-C₃N₄ (-1.558 eV) according to adsorption energy calculations corrected for basis set superposition error (BSSE). Charge density difference, work function variation, and recovery time analyses further corroborate that the adsorption behavior is governed by charge transfer and interfacial electronic redistribution, thereby facilitating the effective modulation of drug loading strength and release kinetics. These findings illustrate that selective heteroatom loading offers a rational approach to customizing g-C₃N₄-based nanocarriers, providing a theoretical foundation for the development of drug-specific and controllable delivery systems.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"37 6","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148823166","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"New Insights into the Synthesis, Stability, and Reactivity of Dimethylsulfonium Derivatives of Meta-nido-carborane","authors":"S. V. Shirin,&nbsp;A. D. Volodin,&nbsp;S. A. Anufriev,&nbsp;M. Yu. Stogniy,&nbsp;I. B. Sivaev","doi":"10.1007/s10876-026-03100-4","DOIUrl":"10.1007/s10876-026-03100-4","url":null,"abstract":"<div><p>The reaction of the potassium salt of 7,9-dicarba-<i>nido</i>-undecaborate anion (<i>meta</i>-<i>nido</i>-carborane), K[7,9-C₂B₉H₁₂], with dimethyl sulfoxide in concentrated sulfuric acid resulted in the formation of 10-substituted charge-compensated 10-(CH₃)₂SO-7,9-C₂B₉H₁₁, which was easily hydrolyzed to the anionic 10-hydroxy <i>meta</i>-<i>nido</i>-carborane, [10-HO-7,9-C₂B₉H₁₁]⁻. The addition of dimethyl sulfide to <i>closo</i>-2,3-C₂B₉H₁₁ gave the asymmetrical 10-dimethylsulfonium derivative, 10-(CH₃)₂S-7,9-C₂B₉H₁₁, which turned to be unstable and transformed into <i>closo</i>-2,3-C₂B₉H₁₁ with the elimination of SMe₂ upon removal of the solvent. It was also shown that both 10-(CH₃)₂S-7,9-C₂B₉H₁₁ and <i>closo</i>-2,3-C₂B₉H₁₁ react with triethylamine to produce the air-stable triethylammonium derivative 10-Et₃N-7,9-C₂B₉H₁₁. The relative instability of 10-(CH₃)₂S-7,9-C₂B₉H₁₁ compared to other synthesized 10-substituted derivatives of <i>meta</i>-<i>nido</i>-carborane was justified using DFT calculation.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><img></picture></div></div></figure></div></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"37 6","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148823126","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis of Core-shell Structured Ti@TiO2/BiOBr Microspheres with Improved Photocatalytic Performance","authors":"Hechang Chen,&nbsp;Fei Wu,&nbsp;Yufu Zhu","doi":"10.1007/s10876-026-03096-x","DOIUrl":"10.1007/s10876-026-03096-x","url":null,"abstract":"<div><p>Titanium microspheres served a dual role in this study. First, they acted as supporting materials for TiO₂/BiOBr photocatalysts. Second, they provided a low-cost precursor for titanium dioxide preparation. The growth of core-shell structured Ti@TiO₂ microspheres was realized using a hydrothermal method in NaOH solution. By varying the concentration of NaOH solution, TiO₂ nanowires with different morphologies were fabricated. A comprehensive characterization of the samples using field-emission scanning electron microscopy, X-ray diffraction measurements, and energy-dispersive X-ray analysis revealed that TiO₂ nanostructures formed a well-coated layer on titanium microspheres, demonstrating an anatase crystal structure. The photocatalytic performance of the obtained core-shell structured Ti@TiO₂ microspheres was studied through the photocatalytic degradation of Rhodamine B (RhB) solution. The results demonstrated that the sample prepared in NaOH solution with the concentration of 7 M exhibited the best photocatalytic performance, achieving an RhB removal efficiency of nearly 100% within 100 min under simulated light irradiation. In order to further improve the photocatalytic performance of the prepared samples, BiOBr was loaded on the surface of TiO₂ nanowires via a solvothermal method, yielding core-shell structured Ti@TiO₂/BiOBr heterojunction photocatalysts, consisting of a metallic Ti core and a composite TiO₂/BiOBr shell. The catalysts demonstrated a significant enhancement in photocatalytic performance compared with core-shell structured Ti@TiO₂ microspheres, achieving nearly complete degradation of RhB solutions within 30 min. Furthermore, the photocatalyst maintained 91.92% of its activity after three consecutive cycles.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"37 6","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148823162","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural evolution and combustion energy of Al-B clusters","authors":"Elizaveta E. Vaneeva,&nbsp;Anastasiia A. Mikhailova,&nbsp;Sergey V. Lepeshkin,&nbsp;Alexey P. Maltsev,&nbsp;Artem R. Oganov","doi":"10.1007/s10876-026-03099-8","DOIUrl":"10.1007/s10876-026-03099-8","url":null,"abstract":"<div><p>Systematic structure prediction of Al_<i>n</i>B_<i>m</i> clusters (0 ≤ <i>n</i>, <i>m</i> ≤ 16) was performed to explore their structural diversity, stability, and combustion-related properties. The predicted low-energy structures exhibit distinct structural motifs determined by the topology of the boron subnetwork, ranging from isolated boron atoms embedded in aluminum frameworks to dense and perforated boron networks with increasing boron content. The stability of Al_nB_m clusters was analyzed using criteria adopted in nanocluster studies. In particular, the predicted enhanced stability of Al₁₃ and Al₁₂B is consistent with available experimental mass-spectrometric data. Fragmentation analysis indicates that mixed Al_<i>n</i>B_<i>m</i> clusters typically dissociate through the loss of a single aluminum atom. At the nanoscale, pure boron and boron-rich Al_<i>n</i>B_<i>m</i> clusters exhibit higher Gibbs free energies and specific energy of combustion than aluminum clusters, in contrast to bulk behavior. Smaller clusters exhibit larger energy output because of their higher fraction of reactive surface atoms, and this size dependency becomes less pronounced for aluminum-richer compositions.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"37 6","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148823164","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Hybrid Pt/ZrO₂ Nanoparticles as a Multifunctional Antibacterial Platform against Clinical MDR Acinetobacter baumannii and Staphylococcus hominis: Synthesis, Characterization, and Biological Evaluation","authors":"Alaa Q. Yousif,&nbsp;Buthenia A. Hasoon,&nbsp;Ghassan M. Sulaiman,&nbsp;Hamdoon A. Mohammed","doi":"10.1007/s10876-026-03091-2","DOIUrl":"10.1007/s10876-026-03091-2","url":null,"abstract":"&lt;div&gt;&lt;p&gt;The rise of multidrug-resistant (MDR) bacteria represents a major global health challenge, contributing to increased morbidity, mortality, and healthcare costs. The declining effectiveness of conventional antibiotics has emphasized the need for alternative antimicrobial strategies. Nanotechnology has emerged as a promising approach for enhancing the treatment of bacterial infections. This study investigated the synergistic antibacterial and antibiofilm activities of hybrid Pt/ZrO₂ nanoparticles against MDR bacterial pathogens, namely, &lt;i&gt;Acinetobacter baumannii&lt;/i&gt; (&lt;i&gt;A. baumannii&lt;/i&gt;) and &lt;i&gt;Staphylococcus hominis&lt;/i&gt; (&lt;i&gt;S. hominis&lt;/i&gt;). Platinum nanoparticles (PtNPs), zirconia nanoparticles (ZrO₂NPs), and hybrid Pt/ZrO₂NPs were synthesized using chemical methods and characterized by UV–Vis spectroscopy, FTIR, XRD, FESEM, and TEM analyses. FESEM analysis revealed spherical PtNPs with an average size of 29 ± 12 nm and ZrO₂NPs with an average size of 24 ± 8 nm. Following Pt deposition, hybrid Pt/ZrO₂NPs formed three-dimensional aggregates with an average size of 40 ± 12 nm, confirming successful loading of Pt onto the ZrO₂ surface. The characterization results demonstrated preservation of the crystalline structure of ZrO₂ and strong evidence of interaction between Pt and ZrO₂ within the hybrid nanostructure. FTIR spectra showed characteristic bands at 3437 cm⁻&lt;sup&gt;1&lt;/sup&gt; (O–H stretching), 2926–2854 cm⁻&lt;sup&gt;1&lt;/sup&gt; (C–H stretching), and 418 cm⁻&lt;sup&gt;1&lt;/sup&gt; (Pt–O vibration). XRD analysis revealed crystalline platinum peaks at 38.9°, 46.2°, and 67.2° with crystallite sizes ranging from 6 to 8 nm, together with well-defined monoclinic zirconia peaks. Peak broadening after platinum deposition further supported successful hybrid nanoparticle formation. Biological evaluation demonstrated potent antibacterial activity against both bacterial species. The MIC values of Pt/ZrO₂NPs were 18.75 ± 0.11 µg mL⁻&lt;sup&gt;1&lt;/sup&gt; for &lt;i&gt;A. baumannii&lt;/i&gt; and 4.69 ± 0.34 µg mL⁻&lt;sup&gt;1&lt;/sup&gt; for &lt;i&gt;S. hominis&lt;/i&gt;, while MBC values showed similar results confirmed the bactericidal nature of the nanocomposite. At 300 µg mL⁻&lt;sup&gt;1&lt;/sup&gt;, Pt/ZrO₂NPs produced inhibition zones of 32.00 ± 1.13 mm against &lt;i&gt;A. baumannii&lt;/i&gt; and 40.00 ± 2.10 mm against &lt;i&gt;S. hominis&lt;/i&gt;, demonstrating superior antibacterial efficacy compared with the individual nanoparticles. Furthermore, the hybrid nanocomposite exhibited enhanced antibiofilm activity, attributable to the combined effects of platinum and zirconia. In addition, Pt/ZrO₂NPs showed favorable hemocompatibility and significant antioxidant activity. Overall, the findings indicate that the enhanced biological performance of Pt/ZrO₂NPs arises from synergistic metal–support interactions within the hybrid nanostructure, highlighting their potential as a promising platform for combating MDR bacterial infections.&lt;/p&gt;&lt;h3&gt;Graphical Abstract&lt;/h3&gt;&lt;div&gt;&lt;figure&gt;&lt;div&gt;&lt;div&gt;&lt;picture&gt;&lt;source&gt;&lt;img&gt;&lt;/source&gt;&lt;/picture&gt;&lt;/div&gt;&lt;/div&gt;&lt;/figure&gt;&lt;/div&gt;&lt;","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"37 5","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148752143","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Sustainable Valorization of Peanut Shell Biomass into Graphene Oxide–CoNi Sulfide Electrodes for Advanced Energy Storage","authors":"Soad Zahir Alsheheri,&nbsp;Mohamed Mokhtar M. Mostafa,&nbsp;Essam R. I. Mahmoud,&nbsp;Reda. S. Salama","doi":"10.1007/s10876-026-03088-x","DOIUrl":"10.1007/s10876-026-03088-x","url":null,"abstract":"<div><p>Converting agricultural waste into efficient electrode materials offers a sustainable route for developing next generation energy storage devices. This article details the synthesis of graphene oxide (GO) obtained from peanut shell waste, utilized as a conductive scaffold for nickel sulfide (NiS), cobalt sulfide (CoS), and bimetallic cobalt–nickel sulfide (Co–Ni sulfide) nanocomposites produced by a straightforward hydrothermal method. Thorough structural and surface characterization using X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), transmission electron microscopy (TEM), Brunauer–Emmett–Teller (BET), and X-ray photoelectron spectroscopy (XPS) analyses confirmed the successful formation of GO-supported metal sulfide nanocomposites, with the Co–Ni sulfide/GO composite exhibiting a porous and interconnected structure with a specific surface area (S_BET) of 512 m² g⁻¹. In the three-electrode system, the Co-Ni sulfide/GO electrode delivered a high specific capacitance of 1054 F g⁻¹ at 1 A g⁻¹, which can be attributed to the combined redox activity of Co and Ni species and the conductive, functionalized GO framework. After 10,000 charge–discharge cycles, the electrode retained 94% of its original capacitance, confirming its strong long-term cycling stability. Additionally, the symmetric supercapacitor based on Co–Ni sulfide/GO electrodes achieved an energy density of 48.6 Wh kg⁻¹ at 500 W kg⁻¹, demonstrating its potential for practical energy storage applications. This study develops a sustainable framework for converting agricultural leftovers into sophisticated energy storage materials, presenting a persuasive approach that integrates materials innovation with circular economy principles.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"37 5","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148751518","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Role of Tb Doping in g-C3N4 for Visible-Light Photocatalytic Removal of Recalcitrant Organic Pollutants: Experimental and DFT Study","authors":"Adem Yavuz,&nbsp;Besime Dişli,&nbsp;Mahmut Özgür Sezer,&nbsp;Tekmile Nur Aksan,&nbsp;Berna Gül,&nbsp;İlkay Hilal Gübbük,&nbsp;Teoman Öztürk","doi":"10.1007/s10876-026-03092-1","DOIUrl":"10.1007/s10876-026-03092-1","url":null,"abstract":"<div><p>Doping graphitic carbon nitride (g-C₃N₄ (CN)), a visible-light-responsive photocatalyst, with rare earth elements has emerged as an effective strategy due to the structural and electronic improvements provided by the unique 4f electronic configuration of lanthanide ions. In this study, Tb-doped CN composites with different terbium (Tb) contents (0.25, 0.50, 0.75, and 1.0 mmol) were synthesized via a high-temperature calcination method using urea as the precursor. The structural, optical, and morphological modifications of the samples were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), ultraviolet–visible spectroscopy (UV–Vis), diffuse reflectance spectroscopy (DRS), scanning electron microscopy (SEM)/ field emission scanning electron microscopy (FESEM), inductively coupled plasma mass spectrometry (ICP-MS), fluorescence (FL), time-resolved photoluminescence (TRPL), Brunauer–Emmett–Teller (BET) surface area analyses and photocurrent measurements. Additionally, the results were theoretically supported by quantum chemical parameters obtained through density functional theory (DFT) calculations. The visible-light photocatalytic performance of the obtained materials was evaluated based on the degradation of methylene blue (MB) and tetracycline (TC), selected as representative pollutants from dye and antibiotic classes. Among the prepared samples, the catalyst 0.75 TbCN exhibited the most pronounced physicochemical modifications, including a significant increase in specific surface area (30.90 → 49.69 m² g⁻¹), suppressed FL intensity, and an extended carrier lifetime (8.12 → 9.52 ns). The photocurrent response increased by approximately 3.4 times, indicating markedly improved charge separation and transfer. DFT calculations further confirmed enhanced charge polarization and greater HOMO/LUMO delocalization. These synergistic effects resulted in substantially improved photocatalytic performance, with 3.77- and 1.94-fold higher removal efficiencies for MB and TC, respectively, compared to pure CN, demonstrating its potential as a promising photocatalyst candidate.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"37 5","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148752144","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Phytochemical-Mediated Assembly of a TiO₂-Supported Se–ZnO Ternary Nanocomposite: Mechanistic Antimicrobial Insights and Multi-Target Molecular Docking Evaluation","authors":"Emad Abada,&nbsp;Sulaiman A. Alsalamah,&nbsp;Mohammed Ibrahim Alghonaim,&nbsp;Norah S. Alothman,&nbsp;Asmaa A. Alharbi,&nbsp;Amani Alhejely","doi":"10.1007/s10876-026-03064-5","DOIUrl":"10.1007/s10876-026-03064-5","url":null,"abstract":"<div><p>This study reports the phytochemical-guided green synthesis of a TiO₂–Se–ZnO ternary nanocomposite using <i>Chrozophora tinctoria</i> leaf extract as a biogenic reducing and stabilizing agent. HPLC profiling identified chlorogenic acid (94.69 µg/mL), rosmarinic acid (75.75 µg/mL), gallic acid (58.55 µg/mL), and catechin as dominant constituents facilitating nanoparticle formation. Structural characterization confirmed a crystalline nanocomposite with an average hydrodynamic diameter of 95.8 nm and high colloidal stability (− 38.2 mV). The nanocomposite exhibited potent antimicrobial activity, particularly against <i>Candida albicans</i> (MIC 7.8 µg/mL), achieving ≥ 4 log₁₀ reduction in time–kill kinetics after 24 h and &gt; 97% antibiofilm inhibition. ROS production increased to 245% in fungal cells, correlating directly with fungicidal action. Ultrastructural TEM analysis revealed severe membrane disruption and intracellular damage. The nanocomposite also demonstrated strong antioxidant activity IC₅₀ 3.96 µg/mL, significant COX-1 and COX-2 inhibition IC₅₀ 7.97 and 7.04 µg/mL, and excellent cytocompatibility 99.49–99.95% viability of WI-38 across tested concentrations. Molecular docking confirmed strong binding affinities toward Erg11 − 8.84 kcal/mol, COX-1 − 8.4 kcal/mol, and Bcl-2 − 8.6 kcal/mol. Importantly, this work presents the first comprehensive integration of phytochemical-guided ternary nanocomposite synthesis with quantitative ROS–time kill correlation and multi-target molecular docking validation, providing mechanistic insight into its multifunctional biomedical potential.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"37 5","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148751783","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synergistic Anticancer Effects of Gemcitabine-Functionalized Au Nanoparticles in Combination with Radiotherapy and Ultrasound Irritation in MCF-7 Cells","authors":"Ali Salarvand,&nbsp;Ahmad Shanei,&nbsp;Iraj Abedi,&nbsp;Neda Attaran","doi":"10.1007/s10876-026-03084-1","DOIUrl":"10.1007/s10876-026-03084-1","url":null,"abstract":"<div><p>Breast cancer ranks first in terms of incidence and mortality among women. Considering challenges such as cancer recurrence and secondary malignancies among patients receiving conventional treatment, it is essential to develop combined treatments to provide effective treatment with minimal complications. Initially, Polyethylene glycol-modified Au nanoparticles (PEG-Au) were prepared; these structures were subsequently utilized to load Gemcitabine, forming the final nanoparticles (Gem-PEG-Au). Characterization studies demonstrated that Gem-PEG-Au nanoparticles had a hydrodynamic diameter of 26.9 ± 2.1 nm, a TEM size of 22.4 nm, and a zeta potential of − 19.8 ± 1.5 mV. The Gem-PEG-Au nanoparticles showed considerable radiosensitizing and sonosensitizing capabilities, leading to enhanced therapeutic performance under radiotherapy and ultrasound exposure and concurrently limiting potential adverse outcomes. Combined X-ray and ultrasound exposure in the presence of Gem-PEG-Au reduced MCF-7 cell viability to 34.2%. Furthermore, combined X-ray and ultrasound exposure in the presence of Gem-PEG-Au augmented apoptosis in MCF-7 cells compared with X-ray exposure and Gem-PEG-Au treatment alone. In conclusion, Gem-PEG-Au can be an effective agent for the combined treatment of radiotherapy and ultrasound-based treatments.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"37 5","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148615036","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}