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Foam-based microbially-induced calcite precipitation 基于泡沫的微生物诱导方解石沉淀
Q3 Materials Science Pub Date : 2025-08-25 DOI: 10.1016/j.jciso.2025.100145
Margaux Ceccaldi , Coralie Menuisier , Vincent Langlois , Marielle Guéguen , Yoan Péchaud , Daniel Grande , Sébastien Vincent-Bonnieu , Olivier Pitois
Building on the development history of the Microbially Induced Calcite Precipitation (MICP) method and recent insights into the organization of liquid and bubbles within pore spaces filled with liquid foam, we hypothesize a potential synergy between MICP and liquid foam for enhancing soil properties. We assess the respiration and calcification capabilities of the bacterium Sporosarcina pasteurii in various foaming solutions formulated with bio-based surfactants. The most promising formulations are then used for in-situ observations of bacteria-induced calcification within foam-embedded 2D granular packings. We observe that maltoside-type AlkylPolyGlucosides with relatively short chains, in particular, enable optimal calcification in less than an hour. In the granular packing, the foam spontaneously creates liquid zones enriched with bacteria at the inter-grain contacts. As a result, instead of being distributed across the entire porous space, calcification is localized in these zones, promoting the formation of solid bridges (CaCO3). This suggests that the foam-based MICP method could represent a relevant variation of the original approach, though this remains to be confirmed at larger scales through mechanical testing on representative soil samples.
基于微生物诱导方解石沉淀(MICP)方法的发展历史和最近对液体泡沫填充的孔隙空间中液体和气泡组织的见解,我们假设MICP和液体泡沫之间存在潜在的协同作用,以增强土壤性质。我们评估了细菌的呼吸和钙化能力巴氏孢子孢杆菌在不同的发泡溶液配制的生物基表面活性剂。最有希望的配方随后被用于在泡沫嵌入的二维颗粒填料中原位观察细菌诱导的钙化。我们观察到具有相对较短链的麦芽糖型烷基多糖苷,特别是在不到一小时的时间内实现最佳钙化。在颗粒填料中,泡沫自发地在颗粒间接触处产生富含细菌的液体区。因此,钙化不是分布在整个多孔空间,而是局限于这些区域,促进了固体桥(CaCO3)的形成。这表明基于泡沫的MICP方法可以代表原始方法的相关变化,尽管这仍有待于通过对代表性土壤样品进行更大规模的机械测试来证实。
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引用次数: 0
Visible-light-driven methanol photo-reforming over cobalt oxides nanofibers: Insights into synthesis, bandgap engineering, and catalytic efficiency 钴氧化物纳米纤维上的可见光驱动甲醇光重整:对合成、带隙工程和催化效率的见解
Q3 Materials Science Pub Date : 2025-08-23 DOI: 10.1016/j.jciso.2025.100148
Nasser A.M. Barakat, Aghareed M. Tayeb, Rahma Hamad, Rasha A. Hefny
Photocatalytic methanol photo-reforming stands as a promising avenue for sustainable hydrogen production, with potential applications in clean energy generation. In this study, we investigate the utilization of CoO/Co3O4 nanofibers as a photocatalyst for methanol photo-reforming, evaluating its performance under different reaction conditions. The synthesized nanofibers are employed with both pure methanol and methanol/water mixtures and compared against TiO2 nanoparticles for reference. Gas evolution rates and composition are analyzed to elucidate the catalytic behavior of the nanofibers. Results reveal that the CoO/Co3O4 nanofibers exhibit superior catalytic activity, yielding high gas evolution rates with pure methanol; 600 mmol/gcat·s. However, the addition of water leads to a sharp decrease in gas production rate (66.9 mmol/gcat.s), attributed to competitive water adsorption on the catalyst surface and drastic change in the reaction kinetics. Gas analysis demonstrates the predominant production of carbon monoxide and hydrogen with pure methanol, while carbon dioxide is detected in the presence of water. In contrast, TiO2 nanoparticles primarily yield carbon dioxide and hydrogen, with no carbon monoxide detected. These findings provide valuable insights into the catalytic mechanisms and selectivity of nanofiber-based catalysts for methanol photo-reforming, paving the way for the development of efficient and selective photocatalytic systems for sustainable energy production.
光催化甲醇光重整是一种很有前途的可持续制氢途径,在清洁能源生产中具有潜在的应用前景。在本研究中,我们研究了CoO/Co3O4纳米纤维作为甲醇光重整的光催化剂,并对其在不同反应条件下的性能进行了评价。将合成的纳米纤维与纯甲醇和甲醇/水混合物一起使用,并与TiO2纳米颗粒进行比较作为参考。分析了气体的释放速率和组成,阐明了纳米纤维的催化行为。结果表明,CoO/Co3O4纳米纤维具有优异的催化活性,在纯甲醇中产生较高的析气速率;600年更易gcat·s。然而,水的加入导致产气速率急剧下降(66.9 mmol/gcat)。S),归因于水在催化剂表面的竞争性吸附和反应动力学的剧烈变化。气体分析表明,一氧化碳和氢的主要生产与纯甲醇,而二氧化碳是在存在的水检测。相比之下,二氧化钛纳米颗粒主要产生二氧化碳和氢气,没有检测到一氧化碳。这些发现为甲醇光重整纳米纤维催化剂的催化机制和选择性提供了有价值的见解,为开发可持续能源生产的高效和选择性光催化系统铺平了道路。
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引用次数: 0
Cancer cell microenvironment-responsive bio-metal-organic frameworks for anticancer drug delivery 肿瘤细胞微环境响应型生物金属-有机骨架抗癌药物传递
Q3 Materials Science Pub Date : 2025-08-22 DOI: 10.1016/j.jciso.2025.100149
Asuka Inada, Hirona Yoshinaka, Misa Kikuchi, Tatsuya Oshima
A glutathione (GSH)-responsive metal-organic framework (MOF) was developed using biocompatible L-cystine and Zn for targeted doxorubicin (DOX) delivery. This strategy enhances drug release in the microenvironment while minimizing systemic toxicity. Disulfide-containing MOFs were synthesized using L-cystine as the ligand and Zn as the metal node. A one-pot method was developed to encapsulate DOX during synthesis. The redox-responsive behavior of the resulting DOX@MOF-Zn(cystine) was evaluated under physiological and tumor-mimicking conditions. In vitro assays revealed that the disulfide bonds in L-cystine ligand facilitate MOF degradation in the presence of GSH, triggering DOX release. DOX@MOF-Zn(cystine) exhibited significantly enhanced release under conditions mimicking the tumor microenvironment (pH 5.4, 20 mM GSH) compared to physiological conditions (pH 7.4, no GSH). Cell viability assays demonstrated minimal toxicity for blank MOFs and strong DOX-dependent anticancer effects from DOX@MOF-Zn(cystine). These findings suggest DOX@MOF-Zn(cystine) is an effective GSH-responsive drug delivery system for targeted cancer therapy.
采用生物相容性l-胱氨酸和锌制备了谷胱甘肽(GSH)响应型金属-有机骨架(MOF),用于靶向递送阿霉素(DOX)。这种策略增强了药物在微环境中的释放,同时最小化了全身毒性。以l -胱氨酸为配体,锌为金属节点,合成了含二硫化物的mof。在合成过程中,采用一锅法包封DOX。在生理和肿瘤模拟条件下评估所得DOX@MOF-Zn(胱氨酸)的氧化还原反应行为。体外实验表明,l -胱氨酸配体中的二硫键在GSH存在下促进MOF降解,触发DOX释放。与生理条件(pH 7.4,无GSH)相比,DOX@MOF-Zn(胱氨酸)在模拟肿瘤微环境(pH 5.4, 20 mM GSH)下的释放明显增强。细胞活力测试表明,DOX@MOF-Zn(胱氨酸)对空白mof的毒性很小,具有很强的dox依赖性抗癌作用。这些发现表明DOX@MOF-Zn(胱氨酸)是一种有效的gsh反应性药物递送系统,用于靶向癌症治疗。
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引用次数: 0
Porous hard carbon derived from coconut biomass waste as electrode material for supercapacitor 从椰子生物质废料中提取多孔硬碳作为超级电容器电极材料
Q3 Materials Science Pub Date : 2025-08-20 DOI: 10.1016/j.jciso.2025.100147
Muhammadin Hamid , Indri Dayana , Habib Satria , Dadan Ramdan , Junaidi , Muhammad Fadlan Siregar , Dewi Sholeha , Juliaster Marbun , Hadi Wijoyo
The synthesis of porous hard carbon from coconut biomass waste using physical activation through pyrolysis and chemical activation with orange juice as an organic activator at varying temperatures, including 500 °C, 600 °C, and 700 °C, has been carried out. The purpose of this research is to develop materials for faradaic-type supercapacitor electrodes based on these temperature variations. Characterization and testing methods used include X-ray diffraction (XRD), scanning electron microscopy (SEM), Brunauer-Emmett-Teller (BET), cyclic voltammetry (CV), and electrochemical impedance spectroscopy (EIS). BET analysis showed that the PHC-700 sample exhibited a relatively high specific surface area with porous characteristics and a narrow pore size distribution around 17–18 nm. The PHC-700 sample also exhibited the best electrochemical performance with a specific capacitance of 485.23 F/g and a total resistance of 24.29 Ω. GCD measurements revealed stable triangular curves, indicating good charge-discharge reversibility and confirming the superior capacitive behavior of PHC-700. The study confirmed that the higher the temperature used, the better the supercapacitor electrode obtained. This is evidenced by the pores on the surface that help improve the quality of the electrode and the XRD test results which are directly proportional to the increase in temperature. It is hoped that this research can enhance understanding of supercapacitor electrode applications.
以椰子生物质废弃物为原料,在500℃、600℃和700℃的不同温度下,分别采用物理活化热解法和以橙汁为有机活化剂的化学活化法合成多孔硬碳。本研究的目的是开发基于这些温度变化的法拉第型超级电容器电极材料。表征和测试方法包括x射线衍射(XRD)、扫描电子显微镜(SEM)、brunauer - emmet - teller (BET)、循环伏安法(CV)和电化学阻抗谱(EIS)。BET分析表明,PHC-700样品具有较高的比表面积和孔隙特征,孔径分布在17-18 nm左右。PHC-700样品具有最佳的电化学性能,比电容为485.23 F/g,总电阻为24.29 Ω。GCD测量显示出稳定的三角形曲线,表明PHC-700具有良好的充放电可逆性,证实了其优越的电容性能。研究证实,使用的温度越高,获得的超级电容器电极越好。表面气孔有助于提高电极质量,XRD测试结果与温度升高成正比,证明了这一点。希望本研究能增进对超级电容器电极应用的认识。
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引用次数: 0
Biogenic CuO-ZnO nanocomposites synthesized from Jatropha curcas for methylene blue dye degradation 麻疯树制备降解亚甲基蓝染料的CuO-ZnO纳米复合材料
Q3 Materials Science Pub Date : 2025-08-13 DOI: 10.1016/j.jciso.2025.100146
Yojana Sharma , Vikas Anand , Vikas Dhiman , Pawan Heera
The growing demand for sustainable nanomaterial synthesis has driven the development of green, bio-mediated approaches. In this study, CuO-ZnO nanocomposites (CuxZn1−xO; x = 0, 0.025, 0.05, 0.075, and 0.1) were synthesized via a phytochemical using the latex of Jatropha curcas an underexplored natural source as a reducing, capping, and stabilizing agent. This eco-friendly, latex-assisted approach avoids toxic chemicals and harsh synthesis conditions, making it fully compliant with green chemistry principles. The synthesized nanocomposites were systematically characterized to assess their structural and physicochemical properties. X-ray diffraction (XRD) confirmed the formation of a predominant hexagonal wurtzite ZnO phase with a secondary monoclinic CuO phase. Field emission scanning electron microscopy (FE-SEM) revealed quasi-spherical nanoparticles with well-defined facets, while energy-dispersive X-ray spectroscopy (EDS) verified the successful incorporation of Cu and Zn. Zeta potential analysis, UV–Visible spectroscopy, and FT-IR spectroscopy provided further insights into colloidal stability, optical properties and surface functionalities respectively. Among the synthesized materials, Cu0.05Zn0.95O exhibited the highest photocatalytic activity, achieving 88.7 % degradation of methylene blue with a kinetic rate constant of 0.01831 min−1. Reusability tests and scavenger studies confirmed the catalyst's durability and mechanistic reliability. To the best of our knowledge, there are very few or no reports employing Jatropha curcas latex for Cu-doped ZnO synthesis, particularly targeting photocatalytic applications, thereby demonstrating a novel eco-friendly pathway. Overall, this work demonstrates the efficacy of Jatropha-assisted green synthesis for producing stable and efficient CuO-ZnO nanocomposites, offering a promising solution for the photocatalytic treatment of dye-contaminated wastewater.
对可持续纳米材料合成的需求不断增长,推动了绿色、生物介导方法的发展。在本研究中,CuxZn1−xO;x = 0, 0.025, 0.05, 0.075和0.1)是通过一种植物化学物质合成的,使用麻疯树(一种未开发的天然来源)的乳胶作为还原,封盖和稳定剂。这种环保、乳胶辅助的方法避免了有毒化学物质和苛刻的合成条件,使其完全符合绿色化学原则。对合成的纳米复合材料进行了系统表征,评价了其结构和理化性质。x射线衍射(XRD)证实了六方纤锌矿ZnO相与次级单斜CuO相的形成。场发射扫描电镜(FE-SEM)显示出具有明确晶面的准球形纳米颗粒,而能量色散x射线能谱(EDS)证实了Cu和Zn的成功掺入。Zeta电位分析、uv -可见光谱和FT-IR光谱分别提供了对胶体稳定性、光学性质和表面功能的进一步了解。在所合成的材料中,Cu0.05Zn0.95O的光催化活性最高,对亚甲基蓝的降解率达到88.7%,动力学速率常数为0.01831 min−1。可重用性测试和清除剂研究证实了催化剂的耐久性和机械可靠性。据我们所知,利用麻疯树乳胶合成cu掺杂ZnO的报道很少或没有,特别是针对光催化应用,从而展示了一种新的生态友好途径。总之,本研究证明了麻风原辅助绿色合成制备稳定高效的CuO-ZnO纳米复合材料的有效性,为光催化处理染料污染废水提供了一种有前景的解决方案。
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引用次数: 0
Encapsulation of Mucuna pruriens seed extract using nanocellulose and its evaluation for Parkinson's treatment 纳米纤维素包封麻瓜籽提取物及其对帕金森病治疗效果的评价
Q3 Materials Science Pub Date : 2025-07-21 DOI: 10.1016/j.jciso.2025.100144
Ratnaningsih Eko Sardjono , Ramdhan Gunawan , Asep Kadarohman , Budiman Anwar , Hamidie Ronald Daniel Ray , Suci Nur Vikasari , Erdiwansyah , Siti Fatimah , Young Gun Ko
Mucuna pruriens (MP), a natural source of L-DOPA, holds potential as a Parkinson's disease (PD) treatment. This study developed two encapsulation systems for MP using nanocellulose (NC-MP) and nanocellulose-chitosan-tripolyphosphate (NCT-MP) to enhance therapeutic efficacy. The encapsulation process was performed via ultrasonication and characterized by FTIR, SEM, and TEM, revealing polydisperse spherical particles with sizes of 566.37 ± 37.41 nm (NC-MP) and 756.66 ± 51.44 nm (NCT-MP). The anti-parkinsonian effects were evaluated in a catalepsy-induced mouse model using the horizontal bar test. Both encapsulated systems significantly reduced catalepsy duration (∗p∗ < 0.001). NC-MP demonstrated superior efficacy at low doses (5–20 mg/kg), attributed to its smaller particle size and neutral charge, which may facilitate blood-brain barrier penetration. In contrast, NCT-MP showed enhanced effects at 25 mg/kg, likely due to chitosan's cationic charge promoting active transport and tripolyphosphate-mediated matrix stabilization. These findings highlight the potential of encapsulation systems to optimize MP's therapeutic profile, with formulation efficacy dependent on dosage requirements.
Mucuna pruriens (MP)是一种天然的左旋多巴来源,具有治疗帕金森病(PD)的潜力。本研究开发了纳米纤维素(NC-MP)和纳米纤维素-壳聚糖-三聚磷酸(NCT-MP)两种包封体系来提高MP的治疗效果。采用超声对其进行包封,并用FTIR、SEM和TEM对其进行表征,得到粒径为566.37±37.41 nm (NC-MP)和756.66±51.44 nm (NCT-MP)的多分散球形颗粒。用单杠试验在小鼠模型中评价其抗帕金森病的作用。两种封装系统都显著缩短了猝倒持续时间(∗p∗<;0.001)。NC-MP在低剂量(5 - 20mg /kg)下表现出优越的疗效,这是由于其较小的粒径和中性电荷,可能有助于穿透血脑屏障。相比之下,NCT-MP在25 mg/kg时表现出增强的效果,这可能是由于壳聚糖的阳离子电荷促进了主动运输和三聚磷酸盐介导的基质稳定。这些发现强调了胶囊系统优化MP治疗概况的潜力,配方功效取决于剂量要求。
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引用次数: 0
From surface design to cellular Response: Insights into aryl-functionalized iron oxide nanoparticles with and without protein corona 从表面设计到细胞反应:有或没有蛋白冠的芳基功能化氧化铁纳米颗粒的见解
Q3 Materials Science Pub Date : 2025-07-17 DOI: 10.1016/j.jciso.2025.100143
Solange Mailen Selzer , Laura Vanesa Bonnet , María Belén Piccoli , Santiago Daniel Salas , Mauricio Galiano , Raquel Viviana Vico , Nancy Fabiana Ferreyra
Iron oxide magnetic nanoparticles (IONPs) are widely utilized in biomedical and industrial applications due to their unique properties, including biocompatibility, superparamagnetism, and ease of functionalization. However, their behavior in biological environments is heavily influenced by surface functionalization and the formation of the protein corona. This study investigates the impact of aryl-functionalization of iron oxide nanoparticles with carboxylic and amine groups on colloidal stability, protein corona formation, and biological interactions. The IONPs were synthesized and characterized for their physicochemical properties, including size, zeta potential, magnetic properties, and dispersibility in different media. The interaction of the nanoparticles with dipalmitoylphosphatidylcholine monolayers, as a model membrane, was evaluated. Cytotoxicity and autophagy induction were assessed in Chinese hamster ovary (CHO-K1) and cervical cancer (HeLa) cells, respectively. The results demonstrate that surface functionalization significantly alters protein corona composition, which in turn modulates nanoparticle stability, cellular uptake, and biological responses. The aryl-functionalized nanoparticles exhibited reduced interactions with cell membranes compared to unfunctionalized counterparts, and also lower autophagy induction, emphasizing the importance of surface design in minimizing adverse effects.
氧化铁磁性纳米颗粒(IONPs)由于其独特的特性,包括生物相容性、超顺磁性和易于功能化,在生物医学和工业应用中得到了广泛的应用。然而,它们在生物环境中的行为在很大程度上受到表面功能化和蛋白质冠形成的影响。本研究探讨了含羧基和胺基的氧化铁纳米颗粒的芳基功能化对胶体稳定性、蛋白质电晕形成和生物相互作用的影响。合成并表征了IONPs的物理化学性质,包括尺寸、zeta电位、磁性和在不同介质中的分散性。研究了纳米颗粒与双棕榈酰磷脂酰胆碱单层膜的相互作用。分别对中国仓鼠卵巢(CHO-K1)和宫颈癌(HeLa)细胞进行细胞毒性和自噬诱导。结果表明,表面功能化显著改变了蛋白质冠的组成,从而调节纳米颗粒的稳定性、细胞摄取和生物反应。与未功能化的纳米颗粒相比,芳基功能化的纳米颗粒与细胞膜的相互作用减少,自噬诱导也降低,这强调了表面设计对最小化不良反应的重要性。
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引用次数: 0
Enhanced biomedical performance of magnetic Fe3O4@chitosan nanocomposites: A comparative study of synthesis methods for hyperthermia and chemotherapy applications 磁性Fe3O4@chitosan纳米复合材料增强生物医学性能:热疗和化疗应用合成方法的比较研究
Q3 Materials Science Pub Date : 2025-05-30 DOI: 10.1016/j.jciso.2025.100142
Ahmed F. Aman , Omayma A. Ghazy , Hoda Saleh , Ismaiel A. Ali , Neamat H. Ahmed , Sameh A. Rizk , Zakaria I. Ali
This study investigates the synthesis of magnetite/chitosan nanocomposites (Fe3O4@CS) using in-situ and ex-situ methods. The nanocomposites were characterized by FTIR, XRD, TEM, and VSM analyses. Their potential in nanomedicine was assessed through chemosensitivity tests on Ehrlich ascites carcinoma (EAC) and hyperthermic performance under an alternating magnetic field. The particle size of Fe3O4 nanoparticles was 10–20 nm and 20–40 nm for in-situ and ex-situ prepared samples as revealed by TEM images. FTIR indicated strong interactions between magnetite and chitosan, while XRD revealed a more uniform crystalline structure of Fe3O4 nanoparticles in ex-situ prepared samples. VSM analysis showed higher magnetization saturation for the ex-situ samples, with magnetization decreasing as chitosan content increased. In vitro assays demonstrated that both synthesis routes influenced the cytotoxicity of the nanocomposites against EAC cells, with in-situ samples showing greater early-stage cytotoxicity causing 40 % reduction in cell viability at 10 μg/mL. Under an alternating magnetic field, Fe3O4@CS nanocomposites reached therapeutic hyperthermia temperatures, with in-situ samples achieving 40.1–41.4 °C and ex-situ samples reaching 41–43 °C. These results highlight the importance of synthesis method and chitosan content in tailoring Fe3O4@CS nanocomposites for efficient and targeted hyperthermia-based cancer treatment.
本研究采用原位法和非原位法合成了磁铁矿/壳聚糖纳米复合材料(Fe3O4@CS)。采用红外光谱(FTIR)、x射线衍射(XRD)、透射电镜(TEM)和VSM分析对复合材料进行了表征。通过对埃利希腹水癌(EAC)的化学敏感性试验和交变磁场下的高温性能,评估了它们在纳米医学中的潜力。TEM图像显示,原位和非原位制备的Fe3O4纳米颗粒粒径分别为10 ~ 20 nm和20 ~ 40 nm。FTIR显示磁铁矿与壳聚糖之间存在较强的相互作用,而XRD显示非原位制备样品中Fe3O4纳米颗粒的晶体结构更为均匀。VSM分析表明,非原位样品的磁化饱和度较高,磁化强度随壳聚糖含量的增加而降低。体外实验表明,这两种合成途径都影响了纳米复合材料对EAC细胞的细胞毒性,在10 μg/mL时,原位样品显示出更大的早期细胞毒性,导致细胞活力降低40%。在交变磁场下,Fe3O4@CS纳米复合材料达到治疗性热疗温度,原位样品达到40.1-41.4℃,非原位样品达到41-43℃。这些结果突出了合成方法和壳聚糖含量在定制Fe3O4@CS纳米复合材料中对高效靶向热疗癌症的重要性。
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引用次数: 0
A clear-cut synthesis of silver nanoparticles using glycerol as a multipurpose medium toward catalytic hydrogenation and antibacterial 用甘油作为催化加氢和抗菌的多用途介质合成纳米银
Q3 Materials Science Pub Date : 2025-05-27 DOI: 10.1016/j.jciso.2025.100141
Van-Hoa Nguyen , Hoa-Hung Lam , Minh-Tam K. Nguyen , Thi-An-Sa Do , Hong-Phuong Phan , Trung Dang-Bao
Adapting for a green and safe protocol, this work developed a straightforward polyol method for synthesizing spherical silver nanoparticles (AgNPs), with a median size of 12.2 nm in glycerol at a low temperature (60 °C). The multipurpose nature of glycerol, acting as both a reductant and an immobilizer, was explored, demonstrating the long-term stability of AgNPs in the resulting colloidal solution. The stability of AgNPs in glycerol was also contrasted with their stability in water and other polyols. The multiple applications of AgNPs in glycerol included their use as antibacterial agents (against both E. coli and S. aureus strains) and as an eco-friendly catalyst. At room temperature, the selective hydrogenation of 4-nitrophenol (4-NP) to 4-aminophenol (4-AP) obeyed a pseudo first-order kinetic model, exhibiting a rate constant of 0.1064 min−1. The kinetic and thermodynamic results confirmed that the rate-determining step involved an electron-transfer process from adsorbed hydrogen to 4-nitrophenolate on the AgNPs surface. Utilizing glycerol as a non-toxic solvent, this colloidal AgNPs solution can be easily stored and directly used without any additional purification.
为了适应绿色和安全的方案,本研究开发了一种直接的多元醇方法来合成球形银纳米粒子(AgNPs),在低温(60°C)下,在甘油中平均尺寸为12.2 nm。甘油作为还原剂和固定化剂的多用途性质被探索,证明了AgNPs在所得到的胶体溶液中的长期稳定性。还比较了AgNPs在甘油中的稳定性及其在水和其他多元醇中的稳定性。AgNPs在甘油中的多种应用包括作为抗菌剂(针对大肠杆菌和金黄色葡萄球菌菌株)和作为环保催化剂。在室温下,4-硝基苯酚(4-NP)选择性加氢成4-氨基苯酚(4-AP)符合准一级动力学模型,反应速率常数为0.1064 min−1。动力学和热力学结果证实,速率决定步骤涉及从吸附氢到AgNPs表面4-硝基苯酚的电子转移过程。利用甘油作为无毒溶剂,这种胶体AgNPs溶液可以很容易地储存和直接使用,而无需任何额外的纯化。
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引用次数: 0
Colloidal structure, energy extensivity and Monte Carlo sampling properties of improved short-range interaction models for surfactant-coated magnetic nanoparticles 表面活性剂包覆磁性纳米颗粒改进的短程相互作用模型的胶体结构、能量延展性和蒙特卡罗采样特性
Q3 Materials Science Pub Date : 2025-05-13 DOI: 10.1016/j.jciso.2025.100138
Aimê Gomes da Mata Kanzaki , Tiago de Sousa Araújo Cassiano , João Valeriano , Fabio Luis de Oliveira Paula , Leonardo Luiz e Castro
The standard DLVO theory offers a limited description of ionic-surfacted magnetic colloids in near aggregation regimes. Correcting the electrical double layer term for ionic surfactants is not enough to successfully simulate the systems. The correction of the van der Waals energy divergence at short interparticle distances is fundamental for proper Monte Carlo sampling of nanoparticles’ configurations. We compare different short-range interaction models and show that a more detailed model leads to Monte Carlo simulations that better match theoretical expectations. Studying the energy scaling with the number of particles, we observe a slight deviation from energy extensivity across all models, small but still detectable via Akaike’s information criterion. The more detailed model predicts a strong effect of particle-size dispersity on the transition between overall attraction and repulsion. More precise modeling can significantly affect numerical predictions, in particular, the effect of particle-size dispersity on the spatial structure of colloids with high volume fraction. This emphasizes the importance of nailing down better models for describing complex colloidal dispersions.
标准DLVO理论提供了一个有限的描述离子表面的磁性胶体在近聚集制度。修正离子表面活性剂的双电层项不足以成功地模拟系统。在粒子间距离较短的情况下,范德华能量散度的校正是对纳米粒子结构进行适当的蒙特卡罗采样的基础。我们比较了不同的短程相互作用模型,并表明更详细的模型导致蒙特卡罗模拟更好地符合理论期望。通过研究粒子数量的能量尺度,我们观察到所有模型的能量广泛性都有轻微的偏差,虽然很小,但通过赤池的信息准则仍然可以检测到。更详细的模型预测,颗粒大小的分散性对整体吸引力和排斥力之间的转变有很强的影响。更精确的模拟可以显著影响数值预测,特别是粒径分散性对高体积分数胶体空间结构的影响。这强调了确定更好的模型来描述复杂胶体分散的重要性。
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引用次数: 0
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