Journal of Nanoparticle Research最新文献_第3页

Hydrothermal synthesis of carbon nanodots from sucrose and sodium citrate: repeatability of structural and spectral properties 蔗糖和柠檬酸钠水热合成碳纳米点：结构和光谱性质的可重复性

IF 2.1 4区材料科学

Journal of Nanoparticle Research Pub Date : 2025-04-24 DOI: 10.1007/s11051-025-06311-4

D. A. Gvozdev, V. V. Nesterova, E. P. Lukashev, G. V. Tsoraev, E. G. Maksimov

引用次数: 0

Computational study of bisphenol A adsorption on reduced graphene oxide: interactions, energies, pH effects, and adsorption mechanisms 双酚A在还原氧化石墨烯上吸附的计算研究：相互作用、能量、pH效应和吸附机制

IF 2.1 4区材料科学

Journal of Nanoparticle Research Pub Date : 2025-04-23 DOI: 10.1007/s11051-025-06318-x

Thiago Soares Silva, Murielly Fernanda Ribeiro Bihain, Anna Karla dos Santos Pereira, Douglas Henrique Pereira

{"title":"Computational study of bisphenol A adsorption on reduced graphene oxide: interactions, energies, pH effects, and adsorption mechanisms","authors":"Thiago Soares Silva, Murielly Fernanda Ribeiro Bihain, Anna Karla dos Santos Pereira, Douglas Henrique Pereira","doi":"10.1007/s11051-025-06318-x","DOIUrl":"10.1007/s11051-025-06318-x","url":null,"abstract":"<div><p>Nanomaterials have numerous applications. One material that deserves to be highlighted is reduced graphite oxide (rGO) due to its excellent adsorption capacity. Among the emerging contaminants, bisphenol A (BPA) generates numerous problems for human health, such as hormonal changes, immune dysfunction, and type 2 diabetes mellitus. In this context, the adsorption of BPA and its form with an anionic oxygen and a protonated oxygen were studied to simulate the effect of pH on the adsorption process, elucidated through computational simulations using density functional theory. The binding energies (Δ<i>E</i><sub>Bind</sub>) and enthalpy variation (Δ<i>H</i>) for all complexes were less than zero, Δ<i>E</i><sub>Bind</sub> and Δ<i>H</i> < 0.00 kcal mol<sup>−1</sup>, showing that interactions can occur and that they are exothermic. The Gibbs energy values showed that only the interactions of anionic and protonated oxygen with the matrix were spontaneous. The structural parameters were identified, and the protonation or deprotonation of the BPA hydroxyl forms stronger bonds/interactions with the rGO matrix, showing a positive effect of pH on adsorption. From the analysis of the topological parameters of the quantum theory of atoms in molecules and the non-covalent interaction, it was possible to demonstrate that the interactions are electrostatic, with the exception of those that occur between the protonation or deprotonation of the BPA hydroxyl with the matrix that forms bonds. Finally, based on the theoretical results, it can be concluded that the rGO matrix can interact with BPA and that the effect of pH improves the adsorption process. Therefore, this study could support new experimental tests for removing this emerging contaminant from effluents.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 5","pages":""},"PeriodicalIF":2.1,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143865400","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Exploring the impacts of nanoparticles on animal embryotoxicity: physicochemical property and bio-barrier 探讨纳米颗粒对动物胚胎毒性的影响：物理化学性质和生物屏障

IF 2.1 4区材料科学

Journal of Nanoparticle Research Pub Date : 2025-04-23 DOI: 10.1007/s11051-025-06322-1

Yue Xu, Xiaomin Wei, Zeqiang Sun

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Effect of bi-directional tensile strain on photoelectric properties of Si-doped of ZrS₂ 双向拉伸应变对si掺杂ZrS 2光电性能的影响

IF 2.1 4区材料科学

Journal of Nanoparticle Research Pub Date : 2025-04-23 DOI: 10.1007/s11051-025-06317-y

Zhihong Shi, Ying Wang, Nan Yang, Jinghan Ji, Guili Liu, Guoying Zhang

{"title":"Effect of bi-directional tensile strain on photoelectric properties of Si-doped of ZrS₂","authors":"Zhihong Shi, Ying Wang, Nan Yang, Jinghan Ji, Guili Liu, Guoying Zhang","doi":"10.1007/s11051-025-06317-y","DOIUrl":"10.1007/s11051-025-06317-y","url":null,"abstract":"<div><p>In this paper, we explore how deformation affects the stability and optoelectronic properties of Si-doped ZrS₂ using first-principles density functional theory. A range of properties—including cohesive energy, energy bands, density of states, absorption coefficients, and reflectivity—were investigated. Structural optimization of the pristine and Si-doped systems was performed using automatic optimization methods. The study reveals that pristine monolayer ZrS₂ is an indirect bandgap material. However, Si doping alters the bandgap, leading to a transition from semiconductor to metallic properties. Moreover, bi-directional tensile and compressive strains significantly modify the electronic and optical properties. Optical analyses indicate that compressive strain significantly increases the absorption coefficient, reflectance, and energy loss of the material in the infrared and visible regions, while tensile strain significantly increases the absorption coefficient, reflectance, and energy loss of the material in the ultraviolet region. These findings offer potential guidance for applying 2D materials in photoelectric devices, sensors, and related fields.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 5","pages":""},"PeriodicalIF":2.1,"publicationDate":"2025-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143865401","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Induction of zebrafish embryotoxicity by zinc oxide nanoparticles: a meta-analysis 氧化锌纳米颗粒诱导斑马鱼胚胎毒性：一项荟萃分析

IF 2.1 4区材料科学

Journal of Nanoparticle Research Pub Date : 2025-04-22 DOI: 10.1007/s11051-025-06315-0

Xiaomin Wei, Guiqiang Xu, Zengjin Wang

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Co-Fe nanowires: a viable strategy for destroying cancer cells via a magnetomechanical effect 钴铁纳米线：通过磁力学效应摧毁癌细胞的可行策略

IF 2.1 4区材料科学

Journal of Nanoparticle Research Pub Date : 2025-04-21 DOI: 10.1007/s11051-025-06313-2

Anca Emanuela Minuti, Cristina Stavila, Adrian Ghemes, Oana-Georgiana Dragos-Pinzaru, Nicoleta Lupu, Horia Chiriac

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Revamping the encapsulation of microbes and their metabolites to nanoscale: a strategy to enhance crop biocontrol 将微生物及其代谢物的包封改造至纳米级：一种增强作物生物防治的策略

IF 2.1 4区材料科学

Journal of Nanoparticle Research Pub Date : 2025-04-21 DOI: 10.1007/s11051-025-06314-1

Aditya Abhijeet Guha, S. Harish, V. Sendhilvel, M. Kannan, R. Sasikala

{"title":"Revamping the encapsulation of microbes and their metabolites to nanoscale: a strategy to enhance crop biocontrol","authors":"Aditya Abhijeet Guha, S. Harish, V. Sendhilvel, M. Kannan, R. Sasikala","doi":"10.1007/s11051-025-06314-1","DOIUrl":"10.1007/s11051-025-06314-1","url":null,"abstract":"<div><p>The escalating global population has necessitated an increase in food crop production. Simultaneously, the expansion of agricultural land has heightened the risks posed by phytopathogens. These pathogens are demonstrating accelerated mutation rates and developing resistance to a variety of existing fungicides. In light of the adverse effects associated with chemical agents, there has been a significant shift towards the adoption of microbial biocontrol agents (MBCAs). However, several challenges remain concerning their effective application. Encapsulation technologies have emerged as a promising solution to these challenges, enhancing the efficacy of MBCAs. Microencapsulations of MBCAs have established a significant presence in the biocontrol sector, although they are not without limitations. Recent advancements in nanotechnology are providing innovative strategies to augment the effectiveness of existing MBCAs, including nanocoating and the synthesis of nanoparticles and nanocomposites. This review critically evaluates the current challenges linked to chemical control, the imperative for encapsulating MBCAs, the methodologies employed, their efficiencies, and the role of nanocoating and nanoparticles in alleviating the detrimental effects of chemical fungicides while improving the performance of encapsulated MBCAs.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 5","pages":""},"PeriodicalIF":2.1,"publicationDate":"2025-04-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143856626","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Inclusion of silver nanoparticles into condensed DNA 将银纳米粒子包含在浓缩的DNA中

IF 2.1 4区材料科学

Journal of Nanoparticle Research Pub Date : 2025-04-20 DOI: 10.1007/s11051-025-06307-0

Christopher C. Perry, Reinhard W. Schulte, Salma Khan, Kevin E. Nick, Jacob M. Holley, Jamie R. Milligan

{"title":"Inclusion of silver nanoparticles into condensed DNA","authors":"Christopher C. Perry, Reinhard W. Schulte, Salma Khan, Kevin E. Nick, Jacob M. Holley, Jamie R. Milligan","doi":"10.1007/s11051-025-06307-0","DOIUrl":"10.1007/s11051-025-06307-0","url":null,"abstract":"<div><p>Ionizing radiation is widely used as a therapeutic tool. There is interest in the use of metallic nanoparticles in the role of radiation sensitizer. We have previously described an experimental system in which plasmid DNA condensed with basic oligopeptides functions as a model for chromatin. This system reproduces well the yields of DNA radiation damage observed in mammalian cells. We aimed here to extend this model system by including silver nanoparticles. Spectroscopy, light scattering, gel electrophoresis, sedimentation, and atomic force microscopy all indicate that anionic lipoate-coated silver nanoparticles can be co-aggregated with DNA by using a tetra-arginine peptide. The resulting co-aggregates are micron sized, of the same order as the nuclei of mammalian cells. Increasing the ionic strength results in disaggregation enabling recovery of the freed DNA after which it can be subjected to a wide variety of assays to characterize the radiosensitizing effects of the silver nanoparticles. This self-assembled system of three ionically bound components (nanoparticle, DNA, and peptide) offers the advantage of avoiding the complexity of forming and breaking covalent bonds between the nanoparticles and DNA.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 5","pages":""},"PeriodicalIF":2.1,"publicationDate":"2025-04-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143852593","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Structural, electronic, and optical studies of chalcogenides kesterite Ag2BeSnX4 (X = S, Se, and Te): insights from the DFT study 硫族铈矿Ag2BeSnX4 （X = S， Se和Te）的结构、电子和光学研究：来自DFT研究的见解

IF 2.1 4区材料科学

Journal of Nanoparticle Research Pub Date : 2025-04-16 DOI: 10.1007/s11051-025-06303-4

Jamal Guerroum, Mohamed Al-Hattab, Younes Chrafih, L.’houcine Moudou, Khalid Rahmani, Youssef Lachtioui, Omar Bajjou

{"title":"Structural, electronic, and optical studies of chalcogenides kesterite Ag2BeSnX4 (X = S, Se, and Te): insights from the DFT study","authors":"Jamal Guerroum, Mohamed Al-Hattab, Younes Chrafih, L.’houcine Moudou, Khalid Rahmani, Youssef Lachtioui, Omar Bajjou","doi":"10.1007/s11051-025-06303-4","DOIUrl":"10.1007/s11051-025-06303-4","url":null,"abstract":"<div><p>This study explores the electronic and optical properties of the kesterite-type chalcogenide materials Ag<sub>2</sub>BeSnX<sub>4</sub> (X = S, Se, and Te) using the density functional theory (DFT). Our results indicate that these compounds are direct bandgap semiconductors, with bandgap values of 0.51 eV, 0.62 eV, and 0.805 eV for Ag<sub>2</sub>BeSnS<sub>4</sub>, Ag<sub>2</sub>BeSnSe<sub>4</sub>, and Ag<sub>2</sub>BeSnTe<sub>4</sub>, respectively. The dielectric constants are estimated at 10, 11.1, and 11.7, while the effective electron masses are around 0.0081 m₀, suggesting notable electronic interactions. The optical analysis shows strong absorption in the UV–visible range, with peaks in the UV region and refractive indices of 3.17, 3.34, and 3.43 for X = S, Se, and Te, respectively. These results suggest that Ag<sub>2</sub>BeSnX<sub>4</sub> (X = S, Se, and Te) compounds could be promising candidates for photovoltaic and optoelectronic applications. However, further experimental studies are necessary to validate their potential for practical use in energy-related technologies.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 5","pages":""},"PeriodicalIF":2.1,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143840358","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Enhanced absorption in organic solar cells using core-shell iron-ZnO nanoparticles: optical and numerical simulations 利用核壳氧化铁-氧化锌纳米粒子增强有机太阳能电池的吸收：光学和数值模拟

IF 2.1 4区材料科学

Journal of Nanoparticle Research Pub Date : 2025-04-14 DOI: 10.1007/s11051-025-06295-1

Mahdi Aghlmandi Sadigh Bagheri

{"title":"Enhanced absorption in organic solar cells using core-shell iron-ZnO nanoparticles: optical and numerical simulations","authors":"Mahdi Aghlmandi Sadigh Bagheri","doi":"10.1007/s11051-025-06295-1","DOIUrl":"10.1007/s11051-025-06295-1","url":null,"abstract":"<div><p>This study utilizes the finite-difference time-domain (FDTD) method to reveal the superior potential of cuboid iron (Fe) nanoparticles (NPs) with a zinc oxide (ZnO) shell for absorption enhancement (AE) in the active layer of organic solar cells (OSCs). The dimensions and arrangement of core-shell Fe-ZnO cuboid NPs on a ZnO substrate were meticulously optimized to achieve the highest AE. Unlike other noble metals, Fe NPs maintain or improve their enhancement capabilities even as the core thickness decreases and the shell thickness increases. In the 300–700 nm wavelength range, where the P3HT:PCBM composite has an intrinsic absorption spectrum, the absorption of ZnO nanostructures devoid of a metal core is reduced to 0.9 times the intrinsic value. In contrast, the absorption of the Fe-ZnO NPs increased to 1.282 times, which is 1.13 times greater than that of the Au NPs in the same structure. Additionally, the optical <span>(J_{sc})</span> achieved by the Fe NPs is 1.75 times greater than the intrinsic <span>(J_{sc})</span>, which is 1.26 times greater than that achieved by the Au NPs. The electric field density and absorption density profiles indicate that Fe NPs significantly enhance organic absorption through localized surface plasmon resonance (LSPR), particularly in the red spectrum (700 nm), where P3HT:PCBM has the lowest intrinsic absorption.</p></div>","PeriodicalId":653,"journal":{"name":"Journal of Nanoparticle Research","volume":"27 4","pages":""},"PeriodicalIF":2.1,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143826621","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0