R. M. Ahmed, Noha M. Deghiedy, Abuelmagd M. Abdelmonem, Ayman M. Mostafa
{"title":"Optical Performance of EVA Nanocomposites Enhanced by CdSe/CdS Nanorods: Linear and Nonlinear Properties for Optoelectronics","authors":"R. M. Ahmed, Noha M. Deghiedy, Abuelmagd M. Abdelmonem, Ayman M. Mostafa","doi":"10.1007/s10876-025-02824-z","DOIUrl":"10.1007/s10876-025-02824-z","url":null,"abstract":"<div><p>Nanocomposites of ethylene-vinyl acetate (EVA) reinforced with different quantities of cadmium selenide/cadmium sulfide nanorods (CdSe/CdS NRs) were synthesized by casting method. As confirmed by the energy-dispersive X-ray (EDX) technique, the weight percentages of Cd, S, and Se increased proportionally with NRs, ranging from 0.1 to 0.5 wt.%. XRD data shows that the nanocomposite with 0.2 wt.% of NRs has the highest crystallinity of other studied samples. Scanning electron microscopy (SEM) images demonstrated that all samples exhibited a uniform, dense structure with non-porous surfaces devoid of cracks or defects. Several optical parameters were calculated, demonstrating their dependence on the NRs content. As the NRs content increased, a decrease in skin depth (δ) was observed (except for 0.2 wt.%), which is attributed to enhanced absorption and reduced transparency. The energy gap was reduced as the concentration of the doped NRs rose. This effect can be ascribed to the defects’ structure in a prepared polymeric matrix, leading to the emergence of localized states inside the transition energy band gap. Then, the Z-scan technology measured the optical nonlinearities with open and closed aperture. It showed that prepared samples have strong nonlinear absorption, and the values of optical nonlinearity parameters of n<sub>2</sub> and <span>({upchi }^{3})</span> ranged from 1.29 × 10<sup>−13</sup> to 5.46 × 10<sup>−13</sup> cm<sup>2</sup> w<sup>−1</sup> and from 3.79 × 10<sup>−12</sup> to 27.6 × 10<sup>−12</sup>esu, respectively, with varying the molar ratio of the prepared nanocomposite film. Our study validated that the CdSe/CdS NRs/EVA nanocomposites exhibit exceptional nonlinear optical properties, potentially advancing the field of nonlinear optics.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"36 3","pages":""},"PeriodicalIF":2.7,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143875321","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":"Bio-inspired Synthesis of Silver and Zinc Oxide Nanoparticles Using Syzygium salicifolium: Unveiling Versatile In Vitro Biomedical and Photocatalytic Applications","authors":"Annie Princy Nadar, Krishnan Sellappan","doi":"10.1007/s10876-025-02823-0","DOIUrl":"10.1007/s10876-025-02823-0","url":null,"abstract":"<div><p>This study reports the synthesis and applications of silver (SS-AgNPs) and zinc oxide (SS-ZnONPs) nanoparticles from the leaf extract of <i>Syzygium salicifolium</i>, and its comprehensive characterisation using UV–Visible spectroscopy, Fourier Transform Infrared spectroscopy (FT-IR), Dynamic Light Scattering (DLS), Zeta Potential, X-ray Diffraction (XRD), Field Emission Scanning Electron Microscopy (FE-SEM), and Field Emission Gun Transmission Electron Microscopy (FEG-TEM). UV–Visible spectroscopy revealed characteristic absorption peaks at 419 nm (SS-AgNPs) and 370 nm (SS-ZnONPs), with zeta potentials of − 16.24 and − 16.91 mV, respectively. XRD confirmed crystallinity, while FE-SEM revealed distinct morphologies, and FEG-TEM determined particle size of 21.52 ± 4.93 nm and 20.82 ± 6.34 nm. SS-AgNPs exhibited pronounced antimicrobial activity against <i>Escherichia coli</i> (25.07 ± 0.95 mm), <i>Staphylococcus aureus</i> (20.4 ± 0.61 mm), <i>Aspergillus flavus</i> (25.50 ± 0.20 mm), outperforming SS-ZnONPs (8.5 ± 0.3 mm, 10.13 ± 0.12 mm, and 19.17 ± 0.21 mm, respectively). SS-AgNPs and SS-ZnONPs exhibited selective cytotoxicity against MCF-7 (IC<sub>50</sub>: 11.11 vs. 26.78 µg/mL), HeLa (28.22 vs. 85.98 µg/mL), and A549 (138.44 vs. 140.59 µg/mL), with minimal toxicity toward HEK-293 cells. The hypoglycaemic activity showed α-amylase (IC<sub>50</sub>: 74.86 vs. 73.20 µg/mL) and α-glucosidase (72.87 vs. 66.81 µg/mL) inhibition, while effective anti-inflammatory action against albumin denaturation (42.59 vs. 43.21 µg/mL) and membrane stabilisation (39.43 vs. 38.06 µg/mL) compared to diclofenac. SS-AgNPs achieved 64.82% methyl orange and 68.64% methylene blue degradation, while SS-ZnONPs reached 70.65 and 81.39%, respectively, with efficiency over five cycles. This pioneering study reveals the utility of <i>Syzygium salicifolium</i> as a sustainable precursor for multifunctional nanoparticles.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"36 3","pages":""},"PeriodicalIF":2.7,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143875392","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}
Mostafa Y. Nassar, Tariq Z. Abolibda, Sobhi M. Gomha, Amany A. Asaad, Mohamed S. S. Adam, Emad M. Masoud, Ibrahim Alfurayj, Ahmed Khalil
{"title":"Pyridine-Functionalized Chitosan for Arsenic and Antimony Removal: Adsorption Kinetics and Thermodynamics","authors":"Mostafa Y. Nassar, Tariq Z. Abolibda, Sobhi M. Gomha, Amany A. Asaad, Mohamed S. S. Adam, Emad M. Masoud, Ibrahim Alfurayj, Ahmed Khalil","doi":"10.1007/s10876-025-02822-1","DOIUrl":"10.1007/s10876-025-02822-1","url":null,"abstract":"<div><p>Heavy metal contamination in wastewater remains a critical environmental concern. This study investigates the adsorption performance of pyridine-functionalized chitosan (CS-PY) for the removal of arsenic (As) and antimony (Sb) from aqueous solutions. Batch experiments were conducted using unmodified chitosan (CS) and CS-PY under varying conditions, including initial metal ion concentration, pH, contact time, temperature, and the presence of coexisting anions. Kinetic and equilibrium analyses indicated that adsorption followed the pseudo-second-order and Langmuir isotherm models. CS-PY exhibited significantly enhanced adsorption capacities of 32.49 mg/g for As and 48.31 mg/g for Sb, compared to 21.02 mg/g and 31.12 mg/g for CS, respectively. Thermodynamic studies confirmed that the adsorption process is spontaneous, endothermic, and primarily governed by physisorption, with Gibbs free energy (ΔG°) values ranging from -2.476 to -3.186 kJ/mol for As and -3.945 to -5.071 kJ/mol for Sb, and enthalpy changes (ΔH°) of 4.832 kJ/mol for As and 7.345 kJ/mol for Sb. The presence of common competing anions (NO<sub>3</sub><sup>−</sup>, Cl<sup>−</sup>, and SO<sub>4</sub><sup>2−</sup>) had minimal impact on adsorption efficiency, demonstrating the strong selectivity of CS-PY. These findings establish CS-PY as a highly effective adsorbent for As and Sb removal, offering a promising solution for water purification.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"36 3","pages":""},"PeriodicalIF":2.7,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143875322","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}
Zheng Ee Saw, Thangavel Lakshmipriya, Subash C. B. Gopinath, Periasamy Anbu, Santheraleka Ramanathan, Ahmad Radi Wan Yaakub, Yuan Seng Wu, Yeng Chen
{"title":"Generation of Copper Oxide Nanoparticles from Discarded Printed Circuit Boards: Microscopy Characterization and Surface Impact with Electrolytes","authors":"Zheng Ee Saw, Thangavel Lakshmipriya, Subash C. B. Gopinath, Periasamy Anbu, Santheraleka Ramanathan, Ahmad Radi Wan Yaakub, Yuan Seng Wu, Yeng Chen","doi":"10.1007/s10876-025-02814-1","DOIUrl":"10.1007/s10876-025-02814-1","url":null,"abstract":"<div><p>This study extracted copper from discarded printed circuit board (PCB) to improve the electrolyte variations on biosensing surfaces. A mixture of concentrated hydrochloric and nitric acids in volume ratios of 2:1, 1:2, and 1:1 was prepared for Sample A, Sample B, and Sample C, respectively, to examine copper recovery. Ultraviolet-visible spectrometry revealed an absorbance peak at 230 nm representing the formation of copper oxide nanoparticles (CuONPs). X-ray diffraction revealed the monoclinic structure of CuONPs with high crystallinity and an average size of 36–40 nm (n=3). Fourier transform infrared spectroscopy showed that Sample B had high CuONP purity. At the same time, a high-power microscope and 3D profiler revealed the 2D and 3D views of the electrode surface and gap distance with and without the attachment of CuONPs. Scanning electron microscopy revealed a 35 μm gap between the electrodes, which was reduced upon attaching CuONPs. Characterization analysis suggested that Samples B and C had the highest CuONP purity among the three samples examined; hence, these were selected for subsequent electrolyte scouting carried out on the electrode surface at pH 1 to 12 to determine the current variations of the sensor before and after using CuONPs from different samples with various levels (1, 10, and 100 mg/mL). A linear current curve with the least variation was obtained using 100 mg/mL of CuONPs from samples B and C. These results highlight the possibility of using CuONP attachment to alter the dielectric sensor surface to improve the sensitivity and performance of the device in terms of insensitivity towards electrolytes.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"36 3","pages":""},"PeriodicalIF":2.7,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143856471","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}
Svetlana E. Nikiforova, Nadezhda A. Khan, Alexey S. Kubasov, Lyudmila V. Goeva, Anatolii S. Burlov, Lyudmila N. Divaeva, Yurii V. Koshchienko, Varvara V. Avdeeva, Elena A. Malinina, Nikolay T. Kuznetsov
{"title":"Substituted (benzoimidazol-2-yl)Methanamines in Silver(I) Complexation in the Presence of Boron Cluster Anions","authors":"Svetlana E. Nikiforova, Nadezhda A. Khan, Alexey S. Kubasov, Lyudmila V. Goeva, Anatolii S. Burlov, Lyudmila N. Divaeva, Yurii V. Koshchienko, Varvara V. Avdeeva, Elena A. Malinina, Nikolay T. Kuznetsov","doi":"10.1007/s10876-025-02816-z","DOIUrl":"10.1007/s10876-025-02816-z","url":null,"abstract":"<div><p>Silver(I) complexation with substituted (benzoimidazol-2-yl)methanamines Bz–CH<sub>2</sub>–NH–R (Bz is 1-methylbenzimidazole, R is anisole (L<sup>1</sup>) or 1-isopropylbenzimidazole (L<sup>2</sup>)) in the presence of boron cluster anions [B<sub><i>n</i></sub>H<sub><i>n</i></sub>]<sup>2–</sup> (<i>n</i> = 10, 12) has been studied for the first time. The influence of substituent R in the benzimidazole derivative on the composition and structure of the resulting compounds has been determined. Coordination compounds [Ag(L<sup>1</sup>)<sub>2</sub>]<sub><i>x</i></sub>An (<i>x</i> = 1, An = {Ag[B<sub>10</sub>H<sub>10</sub>]}<sub><i>m</i></sub><sup><i>m</i>–</sup>; <i>x</i> = 2, An = [B<sub>12</sub>H<sub>12</sub>]<sup>2–</sup>), featuring <i>closo</i>-borate anions in the outer coordination sphere and monodentately coordinated ligands L<sup>1</sup>, have been synthesized and structurally characterized. Additionally binuclear complexes [Ag<sub>2</sub>(L<sup>2</sup>)<sub>2</sub>[µ-B<sub><i>n</i></sub>H<sub><i>n</i></sub>]] have been obtained, in which L<sup>2</sup> is coordinated bidentately, forming a seven-membered metallacycle, while anions [B<sub><i>n</i></sub>H<sub><i>n</i></sub>]<sup>2–</sup> (<i>n</i> = 10, 12) act as bridging ligands. The structural features of the synthesized compounds have been analyzed, including the coordination mode of the organic ligands and the occurrence of positional and bond isomerism in compounds with coordinated boron cluster anions.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"36 3","pages":""},"PeriodicalIF":2.7,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143852485","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":"Design of a Z-Scheme System with g-C3N4/WO3/ZnFe2O4 Nanocomposite for Photocatalytic Degradation of Rhodamine B","authors":"Farah S. Khliwi, Hassan A. Alshamsi","doi":"10.1007/s10876-025-02817-y","DOIUrl":"10.1007/s10876-025-02817-y","url":null,"abstract":"<div><p>In this work, the g-C₃N₄/WO₃/ZnFe₂O₄ nanocomposite was synthesized using a combination of hydrothermal and ultrasonic techniques to design a Z-scheme system for the decolorization of the colored pollutant Rhodamine B (RhB). Initially, the synthesized catalyst was investigated using various characterization techniques, including X-ray diffraction, X-ray Photoelectron Spectroscopy, Fourier Transform Infrared Spectroscopy and Field emission scanning electron microscopy. The results confirmed the successful formation of crystalline g-C₃N₄/WO₃/ZnFe₂O₄. The XPS results clearly exhibited the presence of all constituent elements along with their respective oxidation states. Subsequently, g-C₃N₄/WO₃/ZnFe₂O₄ was examined for the first time for the photocatalytic decolorization of RhB dye under visible light illumination. To optimize the photodecolorization process, various parameters, including irradiation time, catalyst dosage, initial RhB dye concentration, and pH, were investigated. The results indicate that the Z-scheme system designed with g-C₃N₄/WO₃/ZnFe₂O₄ exhibits excellent capability in degrading RhB. Under optimal conditions of pH 7 and a catalyst dosage of 0.15 g/L, the system was able to degrade 98.7% of RhB (10 mg/L) within 75 min. Additionally, the results of scavenger experiments demonstrated that superoxide and hydroxyl radical species played a more significant role in the photocatalytic decolorization of RhB dye.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"36 3","pages":""},"PeriodicalIF":2.7,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143852489","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 and Investigation on Nano Enhancement of Novel Margaric Acid-Stearic Acid Eutectic PCM with 1D Carbonaceous Nanoparticles","authors":"C. N. Deepak, A. K. Behura","doi":"10.1007/s10876-025-02819-w","DOIUrl":"10.1007/s10876-025-02819-w","url":null,"abstract":"<div><p>Phase change materials have gained significant attention in thermal energy storage technology, especially in solar thermal energy systems, because of their high energy storage capacity and broad temperature range of operation. This study develops and synthesise a novel Margaric acid—Stearic acid binary eutectic PCM which was investigated for its the thermophysical properties and chemical characteristics. Margaric acid- Stearic acid eutectic mixture had a weight composition of 64:36 and had a melting temperature at 66.03 °C with a latent heat of fusion 181.85 J/g. Prepared eutectic mixture was chemically stable and did not exhibit thermal degradation up to 200 °C. Carbonaceous nanoparticles were added at three different concentrations intending to triumph over the inherent low thermal conductivity of organic fatty acid components. Nano doping could achieve a highly favourable 9.7% increment in the latent heat of fusion measuring at 199.43 J/g and 130% increase in the thermal conductivity measuring at 0.352 W/mK, which would significantly contribute towards the thermal energy storage and retrieval characteristics of the PCM. The constituents and nanoparticles only developed a physical interaction between them and were chemically stable. The microstructural characteristics and surface morphology was studied through SEM analysis. The optical absorbance characteristics was drastically enhanced by nano doping. The synthesized eutectic mixtures demonstrated thermal stability at temperatures significantly higher than their melting point and maintained their thermal properties and chemical stability even after 500 accelerated thermal cycles.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"36 3","pages":""},"PeriodicalIF":2.7,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143852487","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}
Ankush S. Ranaware, Sweta B. Kushwaha, Nandkumar Kunchge, Gunjan Prakash, Smita S. Lele
{"title":"Effect of Different Size Silver Nanoparticles Synthesized at Varying pH of Plant Extract for Germination Improvement of Tetraploid Watermelon (Citrullus lanatus)","authors":"Ankush S. Ranaware, Sweta B. Kushwaha, Nandkumar Kunchge, Gunjan Prakash, Smita S. Lele","doi":"10.1007/s10876-025-02818-x","DOIUrl":"10.1007/s10876-025-02818-x","url":null,"abstract":"<div><p>Silver nanoparticles synthesized through green methodologies can offer a low-cost, reproducible, and environmentally sustainable solution for enhancing seed germination and antibacterial activity. In the present study, varying sizes of silver nanoparticles (AgNPs) were synthesized using Neem (<i>Azadirachta indica</i>) leaves aqueous plant extract at varying pH (5.7, 7, 8.5 and 10) and a 2.5% AgNPs solution (26.54, 30.36, 27.88 and 26.73 ppm), respectively, were applied to low germinating tetraploid seeds of watermelon (<i>Citrullus lanatus</i>). The AgNPs were characterized by UV-Visible spectrophotometer resulted blue-shift of spectra as the pH increased, Dynamic light scattering confirmed decreased in size of nanoparticles as the pH increased, Transmission electron microscopy and Scanning electron microscopy analysis confirmed the spherical nature of AgNPs, and the presence of functional groups confirmed by Fourier transform infrared spectroscopy and Raman spectroscopy. However, average size of 51.75 nm at pH 8.5 gave 83% increase in germination, and 70% improvement with average size of 142.8 nm at pH 5.7 for tetraploid (KSP-13379) compared to untreated. A similar increase for diploid varieties (KSP-1127 and BSS-586) observed by 21.6% and 44.5% compared to untreated seeds. The highest germination percentages of 100%, 86.67% and 95.56% were obtained with AgNP (pH 8.5) nanoprimed compared to untreated 82.22%, 60% and 52.22% varieties of KSP-1127, BSS-586 and KSP-13379 respectively, at 21 days. The size of AgNPs synthesized at pH 8.5 is highly suitable for seed germination, germination index, vigor index and plant length of tetraploid and diploid varieties. Hence, the results indicate that AgNPs nanopriming at varying pH levels yields beneficial effects by producing nanoparticles of diverse sizes, thereby improving germination percentage, germination rate, and seedling length.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"36 3","pages":""},"PeriodicalIF":2.7,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143852486","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}
Ekaterina D. Anisimova, Elizaveta E. Vaneeva, Vladimir S. Baturin, Sergey V. Lepeshkin, Artem R. Oganov
{"title":"Structural Motifs and Evolution of Boron Nanoclusters","authors":"Ekaterina D. Anisimova, Elizaveta E. Vaneeva, Vladimir S. Baturin, Sergey V. Lepeshkin, Artem R. Oganov","doi":"10.1007/s10876-025-02815-0","DOIUrl":"10.1007/s10876-025-02815-0","url":null,"abstract":"<div><p>Boron is a chemically versatile element, capable of forming diverse chemical bonds (e.g., single, double, triple, 3-center 2-electron bonds, and more), which determines its chemical behavior as a pure substance and in compounds with other elements. Electron deficiency and tendency to form multicenter bonds give rise to the ubiquitous presence of clusters in structures of boron allotropes and of many boron compounds in bulk and molecular forms. Here we investigate a wide range of neutral boron clusters B<sub><i>n</i></sub> (<i>n</i> = 2–60) using the first-principles evolutionary algorithm USPEX. We find clear preference for planar structures for <i>n</i> < 10, while there is a competition between planar, cage, bilayer, and tubular structures for <i>n</i> > 10. We identify magic clusters as those having positive second-order differences of the total energy (and additionally analyze their fragmentation energy and HOMO–LUMO gap). Most of the magic clusters have even <i>n</i>, the most notable exception being magnetic cluster B<sub>39</sub> with cuboctahedral shape. Investigating the concept of aromaticity of inorganic compounds, we applied such approaches as nuclear independent chemical shift (NICS) and adaptive natural density partitioning (AdNDP) to a number of boron clusters and found that two clusters, B<sub>10</sub> and B<sub>13</sub>, are aromatic (the former being magic).</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"36 3","pages":""},"PeriodicalIF":2.7,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830659","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}
Haifa E. Alfassam, Nourhan Nasser, Sarah I. Othman, Hanan M. Alharbi, Hassan A. Rudayni, Ahmed A. Allam, Mostafa R. Abukhadra
{"title":"Steric and Energetic Characterization of Advanced Glauconite Based Silicate Nanosheets and Nano-Rods as Deliveries of Cisplatin Chemotherapy: Loading, Release, and Anticancer Activities","authors":"Haifa E. Alfassam, Nourhan Nasser, Sarah I. Othman, Hanan M. Alharbi, Hassan A. Rudayni, Ahmed A. Allam, Mostafa R. Abukhadra","doi":"10.1007/s10876-025-02809-y","DOIUrl":"10.1007/s10876-025-02809-y","url":null,"abstract":"<div><p>Natural glauconite (GN) underwent facile exfoliation and scrolling modifications, resulting in two advanced structural derivatives with distinct morphologies: exfoliated glauconite nanosheets (Si-EXGN) and silicate nanorods (Si-GNRs). These derivatives exhibited enhanced physicochemical properties and were evaluated as both anticancer agents and delivery systems for cisplatin (CSPL). Compared to raw GN (119.3 mg/g), the modified derivatives exhibited significantly higher CSPL loading capacities: 309.4 mg/g for GNRs and 202.4 mg/g for EXGN. The loading behaviors were well-described by pseudo-first-order kinetics (R<sup>2</sup> > 0.94) and Langmuir isotherms (R<sup>2</sup> > 0.99). Advanced isotherm modeling highlighted the enriched interfaces of GNRs with a higher active site density (50.64 mg/g) compared to EXGN (38.4 mg/g) and GN (26.3 mg/g), allowing each GNR site to accommodate up to 7 CSPL molecules versus 5 for EXGN and 4 for GN. The loading process, governed by multimolecular physical interactions, was validated through loading energy values (<11 kJ/mol). The CSPL release profiles from EXGN and GNRs were continuous and prolonged, achieving 97.8% release after 200 hr and 100% release after 110 hr at physiological pH (7.4), respectively. Kinetic modeling revealed that the release process followed a non-Fickian transport mechanism, regulated primarily by diffusion and erosion. Specifically, release kinetics adhered to first-order (R<sup>2</sup> > 0.91–0.99), Hixson-Crowell (R<sup>2</sup> = 0.85–0.96), and Higuchi models (R<sup>2</sup> = 0.80–0.89). As standalone agents, EXGN (cell viability = 36.2%; IC50 = 230 µg/mL) and GNRs (cell viability = 22.4%; IC50 = 189.7 µg/mL) exhibited notable anticancer effects against human cervical cancer (HeLa) cells. Furthermore, when utilized as carriers for CSPL, their therapeutic efficacy was significantly enhanced. The CSPL-loaded EXGN system reduced cell viability to 2.3% (IC50 = 5.4 µg/mL), while the CSPL-loaded GNRs achieved superior cytotoxicity with a cell viability of 0.87% (IC50 = 1.6 µg/mL). The study underscores the potential of Si-EXGN and Si-GNRs as highly efficient drug delivery systems and anticancer agents. However, further in-depth in vivo evaluations are recommended to confirm the safety and biocompatibility of these materials.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"36 3","pages":""},"PeriodicalIF":2.7,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830662","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}