Journal of Cluster Science最新文献

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Sustainable Synthesis of PPHC@TiO₂/PPy Composite for Enhanced Congo Red Dye Removal: Kinetics, Isotherms, and Mechanistic Insights 可持续合成PPHC@TiO₂/PPy复合材料增强刚果红染料去除:动力学,等温线和机理的见解
IF 3.6 4区 化学
Journal of Cluster Science Pub Date : 2025-08-21 DOI: 10.1007/s10876-025-02898-9
Ali Q. Alorabi
{"title":"Sustainable Synthesis of PPHC@TiO₂/PPy Composite for Enhanced Congo Red Dye Removal: Kinetics, Isotherms, and Mechanistic Insights","authors":"Ali Q. Alorabi","doi":"10.1007/s10876-025-02898-9","DOIUrl":"10.1007/s10876-025-02898-9","url":null,"abstract":"<div><p>The growing environmental impact of synthetic dyes like Congo Red (CR) necessitates the development of efficient and sustainable adsorbents for water treatment. This study presents the green synthesis of a novel ternary composite, PPHC@TiO₂/PPy, by integrating <i>pomegranate</i> peel-derived hydrochar (PPHC), titanium dioxide nanoparticles (TiO₂ NPs), and polypyrrole (PPy) through hydrothermal carbonization, TiO₂ precipitation, and in situ oxidative polymerization. The composite was characterized using X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy with energy-dispersive X-ray spectroscopy (SEM-EDX), thermogravimetric analysis (TGA), Brunauer–Emmett–Teller (BET) surface area analysis, and zeta potential measurements. These analyses confirmed the formation of a mesoporous hybrid material with favorable surface chemistry, thermal stability, and a point of zero charge (pHₚzc) of 9.93. Under optimized adsorption conditions (50 ppm CR, 25 °C, 50 mg dosage, 360 min), the composite exhibited a high adsorption capacity of 356.61 mg/g. Kinetic data conformed to a pseudo-second-order model, and equilibrium results followed the Langmuir isotherm, indicating monolayer chemisorption. Thermodynamic parameters (ΔH° = −34.26 kJ/mol; ΔG° = −27.62 to − 27.17 kJ/mol) confirmed the spontaneous and exothermic nature of the process. These results demonstrate the strong potential of PPHC@TiO₂/PPy as a high-performance, eco-friendly adsorbent for the effective removal of anionic dyes in wastewater treatment applications.</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":"36 5","pages":""},"PeriodicalIF":3.6,"publicationDate":"2025-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144880821","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}
引用次数: 0
Comprehensive H2-TPR Study of the Lanthanide Oxides Reducibility 镧系氧化物还原性的H2-TPR综合研究
IF 3.6 4区 化学
Journal of Cluster Science Pub Date : 2025-08-21 DOI: 10.1007/s10876-025-02900-4
Oleksii Bezkrovnyi
{"title":"Comprehensive H2-TPR Study of the Lanthanide Oxides Reducibility","authors":"Oleksii Bezkrovnyi","doi":"10.1007/s10876-025-02900-4","DOIUrl":"10.1007/s10876-025-02900-4","url":null,"abstract":"<div><p>The present work focuses on the study of the interaction of rare-earth oxides (REOs: La<sub>2</sub>O<sub>3</sub>, CeO<sub>2</sub>, Pr<sub>6</sub>O<sub>11</sub>, Nd<sub>2</sub>O<sub>3</sub>, Sm<sub>2</sub>O<sub>3</sub>, Eu<sub>2</sub>O<sub>3</sub>, Gd<sub>2</sub>O<sub>3</sub>, Tb<sub>4</sub>O<sub>7</sub>, Dy<sub>2</sub>O<sub>3</sub>, Ho<sub>2</sub>O<sub>3</sub>, Er<sub>2</sub>O<sub>3</sub>, Tm<sub>2</sub>O<sub>3</sub>, Yb<sub>2</sub>O<sub>3</sub>, Lu<sub>2</sub>O<sub>3</sub>, and Y<sub>2</sub>O<sub>3</sub>) with hydrogen using the H<sub>2</sub>-TPR technique. The temperature windows for surface and bulk H<sub>2</sub>-TPR peaks of all nanocrystalline rare-earth oxides were determined and discussed in detail. A comprehensive analysis of the reducibility of rare-earth oxides was also conducted. This analysis identifies the pathways and general trends of the reduction processes in nanocrystallites of all rare-earth oxides — key information for their use in a wide range of scientific applications, such as heterogeneous catalysis and luminescent materials.</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":"36 5","pages":""},"PeriodicalIF":3.6,"publicationDate":"2025-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10876-025-02900-4.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144880701","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}
引用次数: 0
Dual Anticancer and Antimicrobial Activity of A Novel Dual-Drug Nanosystem for Co-Delivery of Curcumin and Cyclotides Derived from Viola Dalatensis Gagnep 一种新型双药纳米系统共递送紫堇姜黄素和环肽的抗癌和抗菌活性
IF 3.6 4区 化学
Journal of Cluster Science Pub Date : 2025-08-19 DOI: 10.1007/s10876-025-02892-1
Trung Dinh Nguyen, Tam T.T. Tran, Son H. Pham, Tien T. Dang
{"title":"Dual Anticancer and Antimicrobial Activity of A Novel Dual-Drug Nanosystem for Co-Delivery of Curcumin and Cyclotides Derived from Viola Dalatensis Gagnep","authors":"Trung Dinh Nguyen,&nbsp;Tam T.T. Tran,&nbsp;Son H. Pham,&nbsp;Tien T. Dang","doi":"10.1007/s10876-025-02892-1","DOIUrl":"10.1007/s10876-025-02892-1","url":null,"abstract":"<div><p>The article presents a robust technique for nanoparticle manufacturing that employs hydrophobic and electrostatic interactions, utilizing curcumin (Cur) and cyclotides (Cyc) as pharmacological models. The CS/HA/P407@Cyc@Cur nanosystem, confirmed using FTIR, UV-Vis, and DLS, exhibited consistent physicochemical characteristics: diameter (182.6 ± 10.7 nm), PDI (0.381 ± 0.07), and zeta potential (-30 mV), hence ensuring colloidal stability. High loading efficiency (LE: 90.42–93.09%) and encapsulation capacity (LC: 4.17–4.73%) validated the effective co-loading of Cur and Cyc. The nanosystem demonstrated pH-responsive drug release in acidic tumor microenvironments and remarkable stability, maintaining 82.87% Cur in DMEM. Antibacterial experiments demonstrated significant action against gram-positive bacteria and moderate effectiveness against gram-negative pathogens. Hemocompatibility was exceptional, with hemolysis below 2% across all concentrations. Both free and nanoparticle-encapsulated @Cyc@Cur significantly inhibited MCF-7 breast cancer cell proliferation at low doses, underscoring their therapeutic potential. The technology’s adaptability facilitates future integration for synergistic dual-drug delivery, especially with antibiotics and anticancer drugs, presenting exciting opportunities for the treatment of infections, cancers, and hematological disorders through intravenous injection.</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":"36 5","pages":""},"PeriodicalIF":3.6,"publicationDate":"2025-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144868603","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}
引用次数: 0
Synthesis and in Vitro Evaluation of Bioactive Chitosan-Coated Bimetallic Zeolitic Imidazole Frameworks (CS@ZIF-Ni) for Antibacterial and Wound Healing Applications 生物活性壳聚糖包被双金属沸石咪唑框架的合成及体外评价(CS@ZIF-Ni)抗菌和伤口愈合应用
IF 3.6 4区 化学
Journal of Cluster Science Pub Date : 2025-08-19 DOI: 10.1007/s10876-025-02890-3
Prabhu Raju, Muhammad Salehuddin Ayubee, Lakshmanan Govindan, Anandhalakshmi Subramanian, Ahmed M. Al-Hakami, Kumarappan Chidambaram, Surendirakumar Kannaiah
{"title":"Synthesis and in Vitro Evaluation of Bioactive Chitosan-Coated Bimetallic Zeolitic Imidazole Frameworks (CS@ZIF-Ni) for Antibacterial and Wound Healing Applications","authors":"Prabhu Raju,&nbsp;Muhammad Salehuddin Ayubee,&nbsp;Lakshmanan Govindan,&nbsp;Anandhalakshmi Subramanian,&nbsp;Ahmed M. Al-Hakami,&nbsp;Kumarappan Chidambaram,&nbsp;Surendirakumar Kannaiah","doi":"10.1007/s10876-025-02890-3","DOIUrl":"10.1007/s10876-025-02890-3","url":null,"abstract":"<div><p>The infection with multiple-drug-resistant bacteria and fungi has become a significant challenge in wound care management. Microbial infections significantly increase mortality rates and healthcare costs for patients with diabetic wounds. Therefore, the design of effective antimicrobial materials for wound healing is critically important. Zeolitic imidazole frameworks (ZIFs) are highly tunable and effective materials for biomedical applications. In this study, we present a chitosan-coated bimetallic ZIF-Ni nanocomposite designed for antimicrobial and wound healing applications. The material characteristics of the CS@ZIF-Ni nanocomposite were systematically investigated using various spectroscopic and microscopic techniques. The surface coating of the biopolymer chitosan enhances the biological activity and biocompatibility of the CS@ZIF-Ni nanocomposite. Antimicrobial assays confirmed that the combination of bimetallic zeolitic imidazole and chitosan effectively eradicates multidrug-resistant pathogenic bacteria and fungi. Results from cytotoxicity assays on human skin cells indicated that the CS@ZIF-Ni is a highly biocompatible material. The presence of zinc and nickel promotes reactive oxygen species (ROS)-mediated microbial cell death and creates optimal conditions for cell regeneration. Additionally, the chitosan bioactive molecules stimulate antimicrobial activity and enhance the migration rate of wounded cells. The synergistic effects of CS@ZIF-Ni, including its high stability, biosafety, antimicrobial efficacy, and ability to support cell regeneration based on in vitro experiments, make it an excellent therapeutic option for wound care management. The findings of this study suggest that the chitosan-coated ZIF-Ni nanocomposite improves antibiotic efficacy against human infectious pathogens and may serve as a valuable material for antimicrobial therapy and wound healing applications.</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":"36 5","pages":""},"PeriodicalIF":3.6,"publicationDate":"2025-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144868604","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}
引用次数: 0
Smart Delivery of Nalidixic Acid–Curcumin Complex Via Cerium Oxide Nanoparticles for Urinary Tract Infection and its Management 氧化铈纳米颗粒智能递送钠地酸-姜黄素复合物治疗尿路感染及其管理
IF 3.6 4区 化学
Journal of Cluster Science Pub Date : 2025-08-19 DOI: 10.1007/s10876-025-02882-3
Yaozhong Man, Zuogang Xie
{"title":"Smart Delivery of Nalidixic Acid–Curcumin Complex Via Cerium Oxide Nanoparticles for Urinary Tract Infection and its Management","authors":"Yaozhong Man,&nbsp;Zuogang Xie","doi":"10.1007/s10876-025-02882-3","DOIUrl":"10.1007/s10876-025-02882-3","url":null,"abstract":"<div>\u0000 \u0000 <p>Urinary tract infections (UTIs) are highly prevalent among pregnant women, with global incidences projected to exceed 150 million cases annually, resulting in increased hospitalizations and healthcare expenditures. Biofilm formation by uropathogens enhances bacterial resistance, with <i>Escherichia coli</i> as the primary causative agent. This study reports the synthesis and characterization of cerium oxide nanoparticles (CNPs) loaded with a nalidixic acid–curcumin complex (Nla/Cn-CNPs) for targeted antibacterial therapy. The synthesized NPs displayed a predominantly spherical morphology with a mean particle size of 45–60 nm, as confirmed by SEM and TEM analyses. FTIR and UV–Vis spectroscopy verified the successful conjugation of nalidixic acid and curcumin to the CNP surface. In vitro assays demonstrated that Nla/Cn-CNPs exhibited significant antibacterial activity, against <i>E. coli</i> and <i>E. faecalis</i>. The complex also inhibited biofilm formation by up to 76%, surpassing the efficacy of free drugs alone. Antioxidant assays revealed substantial ROS scavenging activity, with up to 68% reduction in intracellular ROS levels in infected cells treated with Nla/Cn-CNPs. Flow cytometry confirmed that treated groups showed a marked decline in ROS-positive populations compared to untreated infected controls. Biocompatibility testing using Vero cell lines showed over 90% cell viability at concentrations up to 400 µg/mL, indicating minimal cytotoxicity. These findings highlight the potential of Nla/Cn-CNPs as a multifunctional nanoplatform for UTI treatment through enhanced antibacterial, antibiofilm, and antioxidant mechanisms. Future directions include In vivo studies to evaluate pharmacokinetics, biodistribution, and therapeutic efficacy, as well as formulation refinement for clinical translation.</p>\u0000 </div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"36 5","pages":""},"PeriodicalIF":3.6,"publicationDate":"2025-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10876-025-02882-3.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144868868","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}
引用次数: 0
Biopolymer-Based Nanocomposite Films: Chitosan/Polycaprolactone Matrix Reinforced with Green-Synthesized Silver NPs 生物聚合物基纳米复合膜:壳聚糖/聚己内酯基质增强绿色合成银纳米粒子
IF 3.6 4区 化学
Journal of Cluster Science Pub Date : 2025-08-14 DOI: 10.1007/s10876-025-02884-1
Sibel Selçuk Pekdemir, Nilay Akkuş Taş, Ibrahim Nazem Qader, Mustafa Ersin Pekdemir, Karukh Ali Babkir, Recep Taş, Sevda Kirbağ
{"title":"Biopolymer-Based Nanocomposite Films: Chitosan/Polycaprolactone Matrix Reinforced with Green-Synthesized Silver NPs","authors":"Sibel Selçuk Pekdemir,&nbsp;Nilay Akkuş Taş,&nbsp;Ibrahim Nazem Qader,&nbsp;Mustafa Ersin Pekdemir,&nbsp;Karukh Ali Babkir,&nbsp;Recep Taş,&nbsp;Sevda Kirbağ","doi":"10.1007/s10876-025-02884-1","DOIUrl":"10.1007/s10876-025-02884-1","url":null,"abstract":"<div><p>The synthesis and characterization of Chitosan/Polycaprolactone (CHT/PCL) polymer nanocomposites doped with silver nanoparticles (Ag NPs) were conducted for antimicrobial applications. Ag NPs were synthesized using a green method with <i>Sambucus ebulus L</i>. extract, and the nanocomposites were characterized using scanning electron microscopy (SEM), energy-dispersive X-ray (EDX) analysis, and X-ray diffraction (XRD). The SEM images revealed Ag NPs with an average size of ~ 100 nm, while XRD analysis showed a marked increase in crystallinity with higher Ag NP content, indicating improved structural properties. The antimicrobial activity was assessed against <i>Escherichia coli</i> ATCC 25,322, <i>Staphylococcus aureus</i> ATCC 25,923, and <i>Candida albicans</i> FMC17 using the disk diffusion method. The results demonstrated significant antimicrobial activity, with inhibition zones increasing with Ag NP concentrations, particularly against <i>E. coli</i> and <i>C. albicans</i>. The nanocomposites exhibited a 9 mm inhibition zone for <i>E. coli</i> and 10 mm for <i>C. albicans</i> at 3 wt% Ag NP concentration. However, the activity against <i>S. aureus</i> was less pronounced, particularly at higher Ag NP concentrations, potentially due to nanoparticle aggregation. The inclusion of Ag NPs also enhanced the physical properties of the nanocomposites, including increased swelling degree and gel content, although the shape memory effect was observed to be more prominent in films with lower Ag NP concentrations. Overall, CHT/PCL/Ag NP nanocomposites show promising potential for antimicrobial applications, offering a balance of enhanced antimicrobial activity, improved physical properties, and some limitations in activity against certain bacterial strains.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"36 5","pages":""},"PeriodicalIF":3.6,"publicationDate":"2025-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144843213","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}
引用次数: 0
Optimized Alginate-Glycerol Nano-hydrogel Composites for Enhanced Methylene Blue Removal: Kinetic and Isotherm Analysis 优化海藻酸盐-甘油纳米水凝胶复合材料增强亚甲基蓝去除:动力学和等温线分析
IF 3.6 4区 化学
Journal of Cluster Science Pub Date : 2025-08-14 DOI: 10.1007/s10876-025-02889-w
Hind M. Saleh, Salim Albukhaty, Hassan Al-Karagoly, Ghassan M. Sulaiman, Mahmoud Gharbavi
{"title":"Optimized Alginate-Glycerol Nano-hydrogel Composites for Enhanced Methylene Blue Removal: Kinetic and Isotherm Analysis","authors":"Hind M. Saleh,&nbsp;Salim Albukhaty,&nbsp;Hassan Al-Karagoly,&nbsp;Ghassan M. Sulaiman,&nbsp;Mahmoud Gharbavi","doi":"10.1007/s10876-025-02889-w","DOIUrl":"10.1007/s10876-025-02889-w","url":null,"abstract":"<div><p>This work systematically investigated the adsorption of methylene blue (MB) onto sodium alginate-glycerol nano-hydrogel composites (SA/G-NH), with special emphasis on the influence of glycerol content on the mechanical and adsorptive properties. Hydrogels having 20 wt% and 40 wt% glycerol were synthesized and characterized. Dynamic mechanical analysis (DMA) showed that the hydrogel of 20 wt% glycerol had a higher storage modulus (G′ = 2.41 ± 0.13 kPa) and exhibited more consistent viscoelastic behavior than the sample with 40 wt% (G′ = 1.78 ± 0.21 kPa), thus demonstrating enhanced mechanical stability (<i>p</i> &lt; 0.99), which indicates the predominance of the chemisorption mechanism. Isotherm evaluations suggested that the Langmuir model fitted the equilibrium data well (R² = 0.9364), with maximum adsorption capacity (q<sub>m</sub>) calculated to be 11.9332 mg/g for the 20 wt% hydrogel. Each of the experiments was performed in triplicate, and results are reported as mean ± standard deviation. It is concluded from the findings that SA/G-NH hydrogels, particularly at 20 wt% glycerol, show promise as efficient and robust adsorbents for MB removal from aqueous media. The results accentuate the pivotal effect of glycerol amount on tuning the mechanical and adsorption prowess of the hydrogels and pave the pathway toward their use for environmental remediation on a statistically validated basis.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"36 5","pages":""},"PeriodicalIF":3.6,"publicationDate":"2025-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144843211","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}
引用次数: 0
On the Issue of Biological Activity of Cobalt bis(dicarbollide) Derivatives: Conformation of the [8-EtO-8’-I-3,3’-Co(1,2-C2B9H10)2]− Anion 钴双(二碳内酯)衍生物的生物活性研究:[8-EtO-8 ' - i -3,3 ' -Co(1,2- c2b9h10)2]−阴离子的构象
IF 3.6 4区 化学
Journal of Cluster Science Pub Date : 2025-08-14 DOI: 10.1007/s10876-025-02888-x
Nadezhda V. Dudarova, Irina D. Kosenko, Varvara E. Maltseva, Ivan V. Ananyev, Anna A. Druzina, Vladimir I. Bregadze, Igor B. Sivaev
{"title":"On the Issue of Biological Activity of Cobalt bis(dicarbollide) Derivatives: Conformation of the [8-EtO-8’-I-3,3’-Co(1,2-C2B9H10)2]− Anion","authors":"Nadezhda V. Dudarova,&nbsp;Irina D. Kosenko,&nbsp;Varvara E. Maltseva,&nbsp;Ivan V. Ananyev,&nbsp;Anna A. Druzina,&nbsp;Vladimir I. Bregadze,&nbsp;Igor B. Sivaev","doi":"10.1007/s10876-025-02888-x","DOIUrl":"10.1007/s10876-025-02888-x","url":null,"abstract":"<div><p>The conformational mobility of the [8-EtO-8’-I-3,3’-Co(1,2-C<sub>2</sub>B<sub>9</sub>H<sub>10</sub>)<sub>2</sub>]<sup>−</sup> anion, which has been chosen as a model compound for many potential drugs based on cobalt bis(dicarbollide), was studied by <sup>1</sup>H NMR spectroscopy, single crystal X-ray diffraction and quantum chemical calculations. According to the results of quantum chemical calculations, the most favourable conformation for [8-EtO-8’-I-3,3’-Co(1,2-C<sub>2</sub>B<sub>9</sub>H<sub>10</sub>)<sub>2</sub>]<sup>−</sup> is the <i>transoid</i> conformation, which is stabilized by one pair of CH···I and one pair of CH···O(Et) intramolecular hydrogen bonds between the dicarbollide ligands. However, the difference in energy between the <i>transoid</i> and <i>gauche</i> conformations is rather small, while the <i>cisoid</i> conformation is energetically extremely unfavorable. The <i>transoid</i> conformation of the anion was found in the crystal structure of (Bu<sub>4</sub>N)[8-EtO-8’-I-3,3’-Co(1,2-C<sub>2</sub>B<sub>9</sub>H<sub>10</sub>)<sub>2</sub>], while the <sup>1</sup>H NMR spectroscopy data suggest the presence of an equilibrium between the <i>transoid</i> and <i>gauche</i> conformations in solution. Both the <i>transoid</i> and <i>gauche</i> conformations of the anion have a low dipole moment, which is characteristic of most low molecular weight drugs. This may explain the ease of penetration of molecules containing this fragment through biological membranes and their observed increased biological activity.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"36 5","pages":""},"PeriodicalIF":3.6,"publicationDate":"2025-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144843214","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}
引用次数: 0
Nanoparticles Lipidic of Pequi Oil and Eugenol Combined with Alginate Improve Oxidative Stability, Beef Patty Quality, and the Shelf Life of Beef Patties Pequi油和丁香酚脂质纳米颗粒与海藻酸盐结合可改善牛肉饼的氧化稳定性,提高牛肉饼的品质和保质期
IF 3.6 4区 化学
Journal of Cluster Science Pub Date : 2025-08-14 DOI: 10.1007/s10876-025-02881-4
Stella Figueiredo, Marthyna Souza, José Morais Pereira Filho, Elisandra Melo, Paulo Soares, Juliana Oliveira, Sabrina Silva, Ronaldo Oliveira, Edson Cavalcanti Silva-Filho, Leilson Bezerra
{"title":"Nanoparticles Lipidic of Pequi Oil and Eugenol Combined with Alginate Improve Oxidative Stability, Beef Patty Quality, and the Shelf Life of Beef Patties","authors":"Stella Figueiredo,&nbsp;Marthyna Souza,&nbsp;José Morais Pereira Filho,&nbsp;Elisandra Melo,&nbsp;Paulo Soares,&nbsp;Juliana Oliveira,&nbsp;Sabrina Silva,&nbsp;Ronaldo Oliveira,&nbsp;Edson Cavalcanti Silva-Filho,&nbsp;Leilson Bezerra","doi":"10.1007/s10876-025-02881-4","DOIUrl":"10.1007/s10876-025-02881-4","url":null,"abstract":"<div><p>The present study aimed to develop, characterize, and assess the effects of sodium alginate-based nanoparticles containing pequi oil (NAP) and pequi oil with eugenol (NAPE), evaluating their application in beef patties with emphasis on oxidative stability, physicochemical, microbiological, and sensory properties. The nanoparticles (NAP and NAPE) exhibited an encapsulation efficiency of 91.89%, particle sizes ranging from 244 to 255 nm, a polydispersity index between 0.40 and 0.51, and a zeta potential of − 31.4 to − 39.2 mV, indicating good colloidal stability. Morphological analysis revealed spherical, amorphous structures with nanoemulsion characteristics, and thermal analysis demonstrated stability with degradation onset temperatures up to 500 °C. Pequi oil and eugenol addition in nanoparticles improved oxidative stability, exhibiting the highest antioxidant activity. Eugenol also inhibited bacterial strains, including <i>Listeria monocytogenes</i>, <i>Escherichia coli</i>, and <i>Klebsiella pneumoniae</i>, with bactericidal effects on <i>Staphylococcus aureus</i> and <i>Enterococcus faecalis</i>. Toxicity tests indicated low toxicity for pequi oil and NAPE, however, there was a higher toxicity for NAP. Beef patties added free eugenol and NAPE had better pH stability, color retention, and sensory quality, enhancing aroma, flavor, and texture. These findings suggest that pequi oil + eugenol, particularly in nanoencapsulated with alginate polysaccharide form, improve beef patty quality and shelf life, offering a natural alternative to synthetic additives in the food industry.</p></div>","PeriodicalId":618,"journal":{"name":"Journal of Cluster Science","volume":"36 5","pages":""},"PeriodicalIF":3.6,"publicationDate":"2025-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144843210","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}
引用次数: 0
Novel Hyaluronic Acid Based Adapalene Nano Vesicular Formulation for Enhanced anti-acne Control: A Sensitivity and Pharmacodynamic Analysis 新型透明质酸基阿达帕烯纳米囊泡增强抗痤疮控制:敏感性和药效学分析
IF 3.6 4区 化学
Journal of Cluster Science Pub Date : 2025-08-07 DOI: 10.1007/s10876-025-02886-z
Maitrayee Ghosh, Debajyoti Roy, Ravi Pratap Singh, Balak Das Kurmi, Amrinder Singh
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