P. Rosaiah, Radhalayam Dhanalakshmi, Kilari Naveen Kumar, Masoom Raza Siddiqui, G. V. Lokeswara Reddy, N. Nanda Kumar Reddy, Liwen Zhang, Guru Prakash Nunna, Tae Jo Ko
{"title":"Eco-Innovation in Bi-Metallic Oxides: Pioneering Solutions for Dye Contamination and Bacterial Challenges","authors":"P. Rosaiah, Radhalayam Dhanalakshmi, Kilari Naveen Kumar, Masoom Raza Siddiqui, G. V. Lokeswara Reddy, N. Nanda Kumar Reddy, Liwen Zhang, Guru Prakash Nunna, Tae Jo Ko","doi":"10.1007/s10876-025-02794-2","DOIUrl":"10.1007/s10876-025-02794-2","url":null,"abstract":"<div><p>This study delineates the synthesis of bimetallic bismuth nickel oxide (BNO) nanoparticles employing a microwave combustion method that integrates a green synthesis approach using <i>Trachyspermum ammi</i> (Ajwain) seed extract. The nanoparticles were subjected to an exhaustive suite of analytical techniques to assess their morphological, structural, optical, and electronic characteristics. Techniques utilized included scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), UV-diffuse reflectance spectroscopy (DRS), Fourier transform infrared spectroscopy (FTIR), and X-ray photoelectron spectroscopy (XPS). Photocatalytic performance of the synthesized BNO nanoparticles was evaluated through the degradation of Malachite Green (MG), a prevalent synthetic dye and notable aquatic contaminant. The nanoparticles exhibited a photodegradation efficiency of 97.18% for MG, following pseudo-first-order kinetics with a rate constant of 0.04669 min<sup>− 1</sup>. The degradation mechanism was elucidated through the scavenging of reactive oxygen species, particularly superoxide (O₂•-) and hydroxyl radicals (•OH), identifying them as the primary reactive species. In addition to photocatalytic activities, the BNO nanoparticles were tested for antibacterial efficacy of 93.97% and 96.69% against two bacterial strains such as <i>Enterococcus faecalis</i> (Gram-positive) and <i>Escherichia coli</i> (Gram-negative) respectively, demonstrating significant antibacterial properties.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"36 3","pages":""},"PeriodicalIF":2.7,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143778023","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}
Xin-Yang Du, Li Song, Xin-Yu Wei, Ying-Ying Zhang, Yu-Xin Zhang, Xia-Qun Zeng, Hao-Nan Hu, Zhou-Hang Jiang, Yong Zhang, Wen-Xiang Chai
{"title":"Pyridine and Cyclohexylamine Fluorescence Paper Sensors Based on Two cubane-type Cu4I4 Clusters","authors":"Xin-Yang Du, Li Song, Xin-Yu Wei, Ying-Ying Zhang, Yu-Xin Zhang, Xia-Qun Zeng, Hao-Nan Hu, Zhou-Hang Jiang, Yong Zhang, Wen-Xiang Chai","doi":"10.1007/s10876-025-02811-4","DOIUrl":"10.1007/s10876-025-02811-4","url":null,"abstract":"<div><p>A cubane-type Cu<sub>4</sub>I<sub>4</sub> cluster 3-PhPy<sub>4</sub>Cu<sub>4</sub>I<sub>4</sub> (<b>1</b>) was designed and synthesized (3-PhPy = 3-phenylpyridine). The cluster was characterized by elemental analysis, X-ray diffraction, FTIR and UV-Vis spectroscopic analysis. Single-crystal X-ray diffraction revealed that cluster <b>1</b> presents a supramolecular interlocking chain structure. Similar cluster 4-PhPy<sub>4</sub>Cu<sub>4</sub>I<sub>4</sub> (<b>2</b>) was also prepared and re-determined. The TD-DFT calculations reveal that their UV-Vis absorption and luminescence originate from the hybrid [(X + M)LCT] excited states. Based on the cluster <b>1</b>, a paper-based sensor (<b>1)</b> was prepared through a composite process, it shows a remarkable PL quenching response for pyridine (Py) / cyclohexylamine (CYA) detection with good selectivity. Using this sensor, an amazing sensing speed of T<sub>90</sub> = 5 s was achieved for the detection of Py and T<sub>90</sub> = 10 s for CYA. In the fluorescence sensing response of these two volatile organic compounds, their maximum fluorescence quenching efficiency reached outstanding 98%. The sensor (<b>2</b>) based on cluster <b>2</b> also demonstrated similar fluorescence sensing performance for selective detection of Py or CYA.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"36 3","pages":""},"PeriodicalIF":2.7,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143778039","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}
Zaid H. Jabbar, Bassim H. Graimed, Ayah A. Okab, Huda S. Merdas, Ahmed Makki Al-Sulaiman, Ali Majdi
{"title":"Economic Photocatalytic Degradation of Environmental Pollutants Over CuBi2O4/Ag2CrO4 Photocatalyst with Core-Shell Heterostructure: S-Scheme Mechanism","authors":"Zaid H. Jabbar, Bassim H. Graimed, Ayah A. Okab, Huda S. Merdas, Ahmed Makki Al-Sulaiman, Ali Majdi","doi":"10.1007/s10876-025-02803-4","DOIUrl":"10.1007/s10876-025-02803-4","url":null,"abstract":"<div><p>Developing solar-light-responsive photocatalysts attracted exciting prospects in the energy and environmental sectors. This study focuses on coating CuBi<sub>2</sub>O<sub>4</sub> nanorods with Ag<sub>2</sub>CrO<sub>4</sub> shell to yield robust S-scheme CuBi<sub>2</sub>O<sub>4</sub>/Ag<sub>2</sub>CrO<sub>4</sub> composites with a core-shell heterostructure. The CuBi<sub>2</sub>O<sub>4</sub>/Ag<sub>2</sub>CrO<sub>4</sub> photocatalyst exhibited boosted charge separation behavior and upgraded surface area, reflecting beneficial impacts on the catalytic capacity. Under visible light (117 W-LED) irradiation, CuBi<sub>2</sub>O<sub>4</sub>/Ag<sub>2</sub>CrO<sub>4</sub> could enhance the methylene blue (MB) and Congo red (CR) degradation by exhibiting 75% and 85% of removal efficiency within 75 min, respectively. The optimized CuBi<sub>2</sub>O<sub>4</sub>/Ag<sub>2</sub>CrO<sub>4</sub>-25% recorded the best MB degradation kinetics (0.01918 min⁻¹), surpassing pure CuBi<sub>2</sub>O<sub>4</sub> (0.00739 min⁻¹) and Ag<sub>2</sub>CrO<sub>4</sub> (0.00910 min⁻¹) by factors of 2.59 and 2.11, respectively. Besides, the MB degradation over CuBi<sub>2</sub>O<sub>4</sub>/Ag<sub>2</sub>CrO<sub>4</sub>-25% was evaluated based on catalyst dosage, reaction temperature, and MB concentration. Besides, the S-type reaction mechanism demonstrated the improved light absorption, accelerated charge dynamics, hampered recombination rate, and strengthened redox potential. The trapping results indicated the key influence of <sup>•</sup>O<sub>2</sub><sup>−</sup> and h<sup>+</sup> and the auxiliary efforts of <sup>•</sup>OH in the catalytic reaction. Finally, our innovative photocatalyst encourages the harvesting of low-energy LED light and offers cost-effective remediation processes for environmental issues.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"36 3","pages":""},"PeriodicalIF":2.7,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143778041","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 and Morphological Properties of Free Base Porphyrin Doped Colored Electrospun Polyvinyl Alcohol and Polyacrylonitrile Nanofibers","authors":"Umut Güzel, Gorkem Oylumluoglu","doi":"10.1007/s10876-025-02808-z","DOIUrl":"10.1007/s10876-025-02808-z","url":null,"abstract":"<div><p>Although there have been many recent studies on the functional applications of cluster-based polyacrylonitrile (PAN) polymer nanofibers (NFs), there are few studies on their color properties. In this study, polyvinyl alcohol (PVA) and PAN polymers were doped with 5,10,15,20-tetra(4-tert butylphenyl)porphyrin, free base porphyrin derivative, respectively, and PVA-porphyrin (PVA-P) and PAN-porphyrin (PAN-P) NFs were produced by electrospinning. The morphological and structural properties of the obtained NFs were investigated by scanning electron microscopy, Fourier transform infrared spectroscopy (FTIR) and thermogravimetric analysis. NFs were also evaluated according to their colors. The analyses demonstrated that the porphyrin monomers in the electrospun NFs bonded to PAN more successfully than PVA. Porphyrin-doped PAN NFs produced under different optimization conditions exhibited different color tones as a result of electrospinning, and FTIR analysis results also supported the color analysis results. It was observed that PAN-P and PAN-P2 NFs exhibited the most successful cross-linking to the polymer with the characteristic peaks of porphyrin at 802 <span>(:{cm}^{-1})</span> and 803 <span>(:{cm}^{-1})</span>, respectively. Furthermore, it was observed that as the applied voltage during electrospinning increased, more porphyrin molecules were deposited onto the fiber surface of PAN. This phenomenon can be attributed to the electrostatic force applied to the porphyrin molecules. Additionally, PAN-P NFs to which a relatively higher voltage value was applied exhibited a darker color than PVA-P NFs. It is postulated that the colored NFs, a novel material produced and introduced to the literature in this study and doped with free base porphyrins, may have the potential to be utilized in applications related to colorimetric and electrochromatic sensors in future studies.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"36 3","pages":""},"PeriodicalIF":2.7,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10876-025-02808-z.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143769891","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"CdSe Capped Fe3O4 Heterostructured Nanoparticles for Efficient Degradation of Methylene Blue Dye Under Natural Sunlight","authors":"Angelin Ebanezar John, Gaurav Rajak, Abhijit Bijanu, Akshay Singh Tomar, Shabi Thankaraj Salammal, Mohd. Akram Khan, Deepti Mishra","doi":"10.1007/s10876-025-02800-7","DOIUrl":"10.1007/s10876-025-02800-7","url":null,"abstract":"<div><p>Contamination of water resources due to the toxic industrial waste materials is increasing due to the unsustainable water treatment processes. Simple photocatalytic water treatment methods often cause secondary pollution due to the residual catalysts. These residual catalysts are mostly nanosized and absorbed by the aquatic life posing risks to human health and ecosystems. In this article, heterogeneous nanoparticles were successfully synthesized by capping Fe<sub>3</sub>O<sub>4</sub> nanoparticles with CdSe using simple co-precipitation method at temperatures less than 80 °C. These nanoparticles can be used as a photocatalyst to remove organic pollutants from waste water upon the irradiation of natural sunlight, and can be retrieved using external magnet from the treated effluent. The heterostructure of the CdSe–Fe<sub>3</sub>O<sub>4</sub> nanoparticle is confirmed using the HRTEM analysis and the average size is found to be less than 10 nm. The photocatalysis of methylene blue dye using this synthesized magnetic nanoparticle shows a color removal efficiency of <b>98.33 %</b> within 150 min of exposure to natural sunlight. Also, this photocatalyst exhibits a super paramagnetic behavior with a magnetic strength of about 11.6 emu/g and a color removal efficiency of 84.49 % is been retained after 6 cycles of reusability study.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"36 3","pages":""},"PeriodicalIF":2.7,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143769938","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":"Sorghum Grain-Derived Kafirin Nanoparticles For Effective Delivery of Corosolic Acid into Breast Cancer Cells for Potential Treatment of Breast Cancer","authors":"Priya Petchimuthu, Selvaraj Kunjiappan, Sureshbabu Ram Kumar Pandian, Murugesan Sankaranarayanan, Krishnan Sundar","doi":"10.1007/s10876-025-02802-5","DOIUrl":"10.1007/s10876-025-02802-5","url":null,"abstract":"<div><p>The protein nanocarrier system provides various benefits, including successfully delivering loaded drugs into cancer cells. The present work successfully developed corosolic acid-encapsulated kafirin nanoparticles (CA-Kaf NPs) to deliver corosolic acid (CA) into MCF-7 cells. The hydrophobic character of CA fails to reach the disease site. Initially, kafirin protein was isolated from sorghum grains and characterized. Then, CA was loaded into kafirin protein using a modified desolvation method, and their physicochemical properties, stability, drug release, and cytotoxic potential were investigated. The efficiency of encapsulating corosolic acid into Kaf NPs was 81.13 ± 1.27% (w/w), and the loading capacity was 8.38 ± 0.51% (w/w). The CA-Kaf NPs exhibited an amorphous nature and spherical shape with a size range of 300-400 nm and a zeta potential of +2 mV. CA-Kaf NPs release CA slowly and steadily in an acidic medium (pH 5.4), and the CA release rate was significantly higher at pH 5.4 (75.17±0.06% (w/w)) compared to pH 7.2 (73.02±0.22% (w/w)). CA-Kaf NPs significantly reduced the viability of MCF-7 cells after 24 h with an IC<sub>50</sub> value of 58.08 μg × mL<sup>−1</sup> and induced apoptosis. MCF-7 cells treated with CA-Kaf NPs showed standard apoptotic morphological changes, including contracted nuclei and damaged membrane bodies. The release of corosolic acid from CA-Kaf NPs significantly increases reactive oxygen species and damages the integrity of the mitochondrial membrane potential. These findings imply that CA-Kaf NPs, which target the delivery of corosolic acid into MCF-7 cells and facilitate endocytosis, could have a significant therapeutic potential for breast cancer.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"36 3","pages":""},"PeriodicalIF":2.7,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143769652","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":"Intranasal Poly(Lactic-co-Glycolic Acid) Nanoparticles of Mefenamic Acid Improve Motor Expressions and Neurochemical Injury in Aluminium Chloride Originated Alzheimer’s Disease","authors":"Anmol Dogra, Ramandeep Singh Narang, Tajpreet Kaur, Satinder Kaur, Shweta Dang, Jasjeet Kaur Narang","doi":"10.1007/s10876-025-02798-y","DOIUrl":"10.1007/s10876-025-02798-y","url":null,"abstract":"<div><p>The consequences of advancing age on neural development are the reason Alzheimer’s disease is becoming more frequent among the elderly. Because the intranasal route delivers drugs directly from the nostrils to the brain and has a quicker onset of effect than traditional techniques, it is a widely sought-after alternative. Mucoadhesive mefenamic acid incorporated poly(lactic-co-glycolic acid)-poly vinyl alcohol nanoparticles were formulated with the goal of successfully transferring mefenamic acid to the brain for the intranasal delivery of Alzheimer’s disease therapy. High-speed homogenization and ultrasonication procedures were used to form the mucoadhesive mefenamic acid incorporated poly(lactic-co-glycolic acid)-poly vinyl alcohol nanoparticles utilizing the modified nanoprecipitation method. It was found that the improved mucoadhesive mefenamic acid incorporated poly(lactic-co-glycolic acid)-poly vinyl alcohol nanoparticles (M23) had an 84.4% percentage drug efficiency for entrapment and a 51.7% drug loading. The developed nanoparticle has a surface charge of 3.50 ± 6.74 millivolts, a polydispersity index of 0.082, and a particle size of 184.6 nanometers. At 8 hours, mucoadhesive mefenamic acid incorporated poly(lactic-co-glycolic acid)-poly vinyl alcohol nanoparticles showed a significantly higher (P < 0.001) drug release (65.63 ± 0.19%) than mucoadhesive drug suspension (29.38 ± 0.33). The developed mucoadhesive mefenamic acid incorporated poly(lactic-co-glycolic acid)-poly vinyl alcohol nanoparticles showed dose-dependent cytotoxicity. Additionally, in vivo investigations using optimized nanoparticles were carried out to confirm the effectiveness of the recommended preparation’s intranasal drug delivery. Compared to mucoadhesive suspension of drug (107.46 ± 11.46 ng/ml), mucoadhesive mefenamic acid incorporated poly(lactic-co-glycolic acid)-poly vinyl alcohol nanoparticles showed considerably higher drug absorption (P < 0.001) and maximum concentration in brain (424.18 ± 12.37 ng/mL) after eight hours. The results confirmed that the formulated poly(lactic-co-glycolic acid) nanoparticles delivered by intra-nasal route offer a potential substitute for the drug formulations that are now available in the market to treat Alzheimer’s disease.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"36 3","pages":""},"PeriodicalIF":2.7,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143769653","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}
Alaa Nihad Tuama, Forat H. Alsultany, Laith H. Alzubaidi, Khalid Haneen Abass, Zahraa N. Salman, Karar Abdali, Doaa Nihad Tomma
{"title":"Synergistic Effect Strategies of the Water-Splitting Photocatalyst Performance in MXenes Coupled System: A Critical Review","authors":"Alaa Nihad Tuama, Forat H. Alsultany, Laith H. Alzubaidi, Khalid Haneen Abass, Zahraa N. Salman, Karar Abdali, Doaa Nihad Tomma","doi":"10.1007/s10876-025-02810-5","DOIUrl":"10.1007/s10876-025-02810-5","url":null,"abstract":"<div><p>The unusual physical and chemical features of transition metal carbide or nitride (MXene) make it an attractive candidate for developing two-dimensional materials over a variety of applications, including lithium-ion batteries, supercapacitors, electrocatalysis, photocatalysis, and biomedical applications. MXene may enable quick separation of photogenerated charge carriers in photocatalysis and supply a large number of functional groups at the surface for materials used in light harvesting, enabling high photoconversion efficiency. Several synthesizing methods for producing 2D MXene nanosheets are covered, including electrochemical etching, hydrothermal synthesis, calcination, exfoliation, and electrostatic assembly, and the impact of the etching conditions is also covered. Specifically, applications related to water-splitting-based hydrogen production were thoroughly discussed based on the synergistic effect between MXene and other materials, which may direct future research into the structuring of novel catalysts with exceptional water-splitting activities. This understanding of the mechanisms underlying the exceptional performances seen in experiments and calculations was particularly insightful. Then, based on the synergistic impact with other catalyst materials, we outline the current developments and progress in the hydrogen production efficiency of MXene-based photocatalysts. Lastly, we offer some closing thoughts and the prospects for developing extremely effective MXene-based photocatalysts in the realm of water splitting.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"36 3","pages":""},"PeriodicalIF":2.7,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143769650","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}
Margarita A. Gimaldinova, Mikhail M. Maslov, Savas Kaya, Konstantin P. Katin
{"title":"Covalently Bonded 1D Chains and 2D Networks From Si-Doped CL-20: Computational Study","authors":"Margarita A. Gimaldinova, Mikhail M. Maslov, Savas Kaya, Konstantin P. Katin","doi":"10.1007/s10876-025-02805-2","DOIUrl":"10.1007/s10876-025-02805-2","url":null,"abstract":"<div><p>To discover high-energy-density materials with characteristics superior to current models, it is necessary to study a wide range of potential structures. A promising representative of new derivatives of the class of high-energy compounds is silicon-substituted molecules CL-20, which have a reactivity and kinetic stability close to pure CL-20 but have a higher density and energy release. Low-dimensional covalent SiCL-20 nanostructures based on silicon analogue of the classical CL-20 high-energy molecule are considered in this work. Covalent nanostructures may have advantages over molecular crystals due to their special properties, such as higher packing density and kinetic stability. It has been established that silicon-substituted CL-20 molecules can connect through CH<sub>2</sub> molecular bridges into covalent structures. Geometrical parameters, energy characteristics, electronic properties, and quantum chemical reactivity descriptors for several representatives of 1D and 2D systems based on Si<sub>5</sub>CL-20 have been calculated using density functional theory. The skeleton of each silicon fragment of the CL-20 system undergoes small changes when combined into covalent chains and networks. Still, the systems retain their consistency, and the effective diameter of the silicon frameworks in the nanostructure takes average values from 4.300 to 4.462 Å. The binding energy of nanostructures increases with the number of silicon CL-20 fragments in the system. The binding energies for a single silicon molecule CL-20 and a double chain SiCL-20 consisting of 12 fragments are 3.846 and 4.077 eV/atom, respectively. Thus, the silicon nanostructures become more thermodynamically stable with increasing the size and dimension of the compound. The study of electronic characteristics made it possible to establish that the value of the HOMO-LUMO gap decreases with an increasing number of fragments in the system, and the considered SiCL-20 covalent molecules can be classified as wide-gap semiconductors, like their classical CL-20 analogues. For example, the values of the HOMO-LUMO gaps for silicon derivatives of CL-20 with dimensions 1 × 1, 6 × 1, 6 × 2, and 4 × 3L are 5.601, 4.378, 4.004, and 3.882 eV respectively. Despite their highly stressed skeleton, they are stable enough to be considered for energy applications and are promising candidates for building blocks of high-energy materials and fuels.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"36 3","pages":""},"PeriodicalIF":2.7,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143769651","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 Enhancement for Photocatalytic and Antibacterial Properties of Vanadium Pentoxide (V2O5) Nanocomposite Supported on Multi-Walled Carbon Nanotubes","authors":"Marimuthu Ganesan, Indira Priyadharsini Chinnuraj, Ranjith Rajendran, Thammasak Rojviroon, Orawan Rojviroon, Pazhanivel Thangavelu, Sanya Sirivithayapakorn","doi":"10.1007/s10876-025-02795-1","DOIUrl":"10.1007/s10876-025-02795-1","url":null,"abstract":"<div><p>Vanadium pentoxide (V<sub>2</sub>O<sub>5</sub>) supported on multi-walled carbon nanotubes (MWCNT) was successfully synthesized to enhance its photocatalytic and antibacterial activities. The synergistic interaction between MWCNT and V<sub>2</sub>O<sub>5</sub> led to a significant improvement in performance, particularly in the degradation of pollutants under visible light. The V<sub>2</sub>O<sub>5</sub>/MWCNT photocatalyst demonstrated remarkable efficacy, effectively removing 98% of Methylene Blue (MB) within 120 min. By assessing the photocatalyst’s performance over four successive recycling cycles, we evaluated its stability and sustainability, finding no significant losses in photoactivity. Characterization results, including XRD analysis, confirmed the material’s phase stability. Additionally, both V<sub>2</sub>O<sub>5</sub> and the V<sub>2</sub>O<sub>5</sub>/MWCNT composite were evaluated for their antibacterial properties against <i>Staphylococcus aureus</i> (<i>S. aureus</i>) and <i>Escherichia coli</i> (<i>E. coli</i>) by measuring the zone of inhibition (8±0.4 mm and 9±0.2 mm). The results indicate that the V<sub>2</sub>O<sub>5</sub>/MWCNT nanocomposite substantially enhances both photocatalytic and antibacterial properties. This multifunctional material represents a significant advancement in the field, offering a dual-action solution that combines effective pollutant degradation with robust antimicrobial properties, making it a promising candidate for applications in combating antimicrobial resistance and in water treatment.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"36 3","pages":""},"PeriodicalIF":2.7,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143749265","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}