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Shape-Dependent Single-Electron Levels for Au Nanoparticles.

ABSTRACT: The shape of metal nanoparticles has a crucial role in their performance in heterogeneous catalysis as well as photocatalysis. We propose a method of determining the shape of nanoparticles based on measurements of single-electron quantum levels. We first consider nanoparticles in two shapes of high symmetry: cube and sphere. We then focus on Au nanoparticles in three characteristic shapes that can be found in metal/inorganic or metal/organic compounds routinely used in catalysis and photocatalysis. We describe the methodology we use to solve the Schrödinger equation for arbitrary nanoparticle shape. The method gives results that agree well with analytical solutions for the high-symmetry shapes. When we apply our method in realistic gold nanoparticle models, which are obtained from Wulff construction based on first principles calculations, the single-electron levels and their density of states exhibit distinct shape-dependent features. Results for clean-surface nanoparticles are closer to those for cubic particles, while CO-covered nanoparticles have energy levels close to those of a sphere. Thiolate-covered nanoparticles with multifaceted polyhedral shape have distinct levels that are in between those for sphere and cube. We discuss how shape-dependent electronic structure features could be identified in experiments and thus guide catalyst design.

SUBMITTER: Barmparis GD

PROVIDER: S-EPMC5502994 | biostudies-other | 2016 Apr

REPOSITORIES: biostudies-other

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Cell response to Au nanoparticles

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2008-01-20 | GSE6818 | GEO

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Project description:While it is well established that nanoparticle shape can depend on equilibrium thermodynamics or growth kinetics, recent computational work has suggested the importance of thermal energy in controlling the distribution of shapes in populations of nanoparticles. Here, we used transmission electron microscopy to characterize the shapes of bare platinum nanoparticles and observed a strong dependence of shape distribution on particle size. Specifically, the smallest nanoparticles (<2.5 nm) had a truncated octahedral shape, bound by 〈111〉 and 〈100〉 facets, as predicted by lowest-energy thermodynamics. However, as particle size increased, the higher-energy 〈110〉 facets became increasingly common, leading to a large population of non-equilibrium truncated cuboctahedra. The observed trends were explained by combining atomistic simulations (both molecular dynamics and an empirical square-root bond-cutting model) with Boltzmann statistics. Overall, this study demonstrates experimentally how thermal energy leads to shape variation in populations of metal nanoparticles, and reveals the dependence of shape distributions on particle size. The prevalence of non-equilibrium facets has implications for metal nanoparticles applications from catalysis to solar energy.

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Selective decoration of Au nanoparticles on monolayer MoS2 single crystals.

Project description:We report a controllable wet method for effective decoration of 2-dimensional (2D) molybdenum disulfide (MoS2) layers with Au nanoparticles (NPs). Au NPs can be selectively formed on the edge sites or defective sites of MoS2 layers. The Au-MoS2 nano-composites are formed by non-covalent bond. The size distribution, morphology and density of the metal nanoparticles can be tuned by changing the defect density in MoS2 layers. Field effect transistors were directly fabricated by placing ion gel gate dielectrics on Au-decorated MoS2 layers without the need to transfer these MoS2 layers to SiO2/Si substrates for bottom gate devices. The ion gel method allows probing the intrinsic electrical properties of the as-grown and Au-decorated MoS2 layers. This study shows that Au NPs impose remarkable p-doping effects to the MoS2 transistors without degrading their electrical characteristics.

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The influence of the shape of Au nanoparticles on the catalytic current of fructose dehydrogenase.

Project description:Graphite electrodes were modified with triangular (AuNTrs) or spherical (AuNPs) nanoparticles and further modified with fructose dehydrogenase (FDH). The present study reports the effect of the shape of these nanoparticles (NPs) on the catalytic current of immobilized FDH pointing out the different contributions on the mass transfer-limited and kinetically limited currents. The influence of the shape of the NPs on the mass transfer-limited and the kinetically limited current has been proved by using two different methods: a rotating disk electrode (RDE) and an electrode mounted in a wall jet flow-through electrochemical cell attached to a flow system. The advantages of using the wall jet flow system compared with the RDE system for kinetic investigations are as follows: no need to account for substrate consumption, especially in the case of desorption of enzyme, and studies of product-inhibited enzymes. The comparison reveals that virtually identical results can be obtained using either of the two techniques. The heterogeneous electron transfer (ET) rate constants (kS) were found to be 3.8 ± 0.3 s-1 and 0.9 ± 0.1 s-1, for triangular and spherical NPs, respectively. The improvement observed for the electrode modified with AuNTrs suggests a more effective enzyme-NP interaction, which can allocate a higher number of enzyme molecules on the electrode surface. Graphical abstract The shape of gold nanoparticles has a crucial effect on the catalytic current related to the oxidation of D-(-)-fructose to 5-keto-D-(-)-fructose occurring at the FDH-modified electrode surface. In particular, AuNTrs have a higher effect compared with the spherical one.

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Project description:Programmed cell death-ligand 1 (PD-L1) is an important predictive biomarker. The detection of PD-L1 can be crucial for patients with advanced cancer where the use of immunotherapy is considered. Here, we demonstrate the use of immuno-SERS microscopy (iSERS) for localizing PD-L1 on single cancer SkBr-3 cells. A central advantage of iSERS is that the disturbing autofluorescence from cells and tissues can be efficiently minimized by red to near-infrared laser excitation. In this study we employed Au/Au core/satellite nanoparticles as SERS nanotags because of their remarkable signal brightness and colloidal stability upon red laser excitation. False-color iSERS images of the positive and negative controls clearly reveal the specific localization of PD-L1 with SERS nanotag-labeled antibodies.

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Size, Shape, and Sequence-Dependent Immunogenicity of RNA Nanoparticles.

Project description:RNA molecules have emerged as promising therapeutics. Like all other drugs, the safety profile and immune response are important criteria for drug evaluation. However, the literature on RNA immunogenicity has been controversial. Here, we used the approach of RNA nanotechnology to demonstrate that the immune response of RNA nanoparticles is size, shape, and sequence dependent. RNA triangle, square, pentagon, and tetrahedron with same shape but different sizes, or same size but different shapes were used as models to investigate the immune response. The levels of pro-inflammatory cytokines induced by these RNA nanoarchitectures were assessed in macrophage-like cells and animals. It was found that RNA polygons without extension at the vertexes were immune inert. However, when single-stranded RNA with a specific sequence was extended from the vertexes of RNA polygons, strong immune responses were detected. These immunostimulations are sequence specific, because some other extended sequences induced little or no immune response. Additionally, larger-size RNA square induced stronger cytokine secretion. 3D RNA tetrahedron showed stronger immunostimulation than planar RNA triangle. These results suggest that the immunogenicity of RNA nanoparticles is tunable to produce either a minimal immune response that can serve as safe therapeutic vectors, or a strong immune response for cancer immunotherapy or vaccine adjuvants.

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Shape-Dependent Toxicity of Silver Nanoparticles on Freshwater Cnidarians.

Project description:Silver nanoparticles (AgNPs) are increasingly used in various consumer products, leading to their inadvertent release in aquatic ecosystems. The toxicity of AgNPs could be associated with the leaching of ionic Ag but also with the size, shape and surface properties. The purpose of this study was to test the null hypothesis that toxicity of AgNPs was independent of shape in the invertebrate Hydra vulgaris. The hydranths were exposed to increasing concentrations of ionic Ag and AgNPs of three different shapes (spherical, cubic and prismatic) with the same size and coating (polyvinylpyrrolidone). The data revealed that between 68% and 75% of total Ag remained in solution after the 96 h exposure period, while 85-90% of ionic Ag remained in solution. The 96 h lethal concentration (LC50) was lower with ionic (4 µg/L) and spherical AgNPs (56 µg/L), based on irreversible morphological changes such as loss of tentacles and body disintegration. Cubic and prismatic AgNPs were not toxic at a concentration of <100 µg/L. The sublethal toxicity was also determined at 96 h based on characteristic morphological changes (clubbed and/or shortened tentacles) and showed the following toxicity: ionic (2.6 µg/L), spherical (22 µg/L) and prismatic (32.5 µg/L) AgNPs. The nanocube was not toxic at this level. The data indicated that toxicity was shape-dependent where nanoparticles with a low aspect ratio in addition to high circularity and elongation properties were more toxic at both the lethal and sublethal levels. In conclusion, the shape of AgNPs could influence toxicity and warrants further research to better understand the mechanisms of action at play.

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Shape-dependent antibacterial effects of non-cytotoxic gold nanoparticles.

Project description:Gold nanoparticles (AuNPs) of various shapes (including spheres, stars and flowers), with similar dimensions, were synthesized and evaluated for their antibacterial effects toward Staphylococcus aureus, a bacterium responsible for numerous life-threatening infections worldwide. Optical growth curve measurements and Gompertz modeling showed significant AuNP shape- and concentration-dependent decreases in bacterial growth with increases in bacterial growth lag time. To evaluate prospective use in in vivo systems, the cytotoxicity of the same AuNPs was evaluated toward human dermal fibroblasts in vitro by 3-(4,5 dimethylthiazol-2-yl)-5-(3-carboxymethoxyphenyl)-2-(4-sulfophenyl)-2H-tetrazolium (MTS) viability assays and confocal microscopy. No indication of any mammalian cell toxicity or morphological effects was found. Additionally, it was observed that the AuNPs were readily internalized in fibroblasts after 4 days of incubation. Most importantly, the results of the present study showed that gold nanoflowers in particular possessed the most promising non-cytotoxic mammalian cell behavior with the greatest shape-dependent antibacterial activity-promising properties for their future investigation in a wide range of anti-infection applications.

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Shape dependent cytotoxicity of PLGA-PEG nanoparticles on human cells.

Project description:We investigated the influence of nanoparticles' shape on the physiological responses of cells, when they were fed with spherical and needle-shaped PLGA-PEG nanoparticles (the volume of the nanoparticles had been chosen as the fixed parameter). We found that both types of NPs entered cells via endocytosis and upon internalization they stayed in membrane bounded vesicles. Needle-shaped, but not the spherical-shaped NPs were found to induce significant cytotoxicity in the cell lines tested. Our study evidenced that the cytotoxicity of needle-shaped NPs was induced through the lysosome disruption. Lysosome damage activated the signaling pathways for cell apoptosis, and eventually caused DNA fragmentation and cell death. The present work showed that physiological response of the cells can be very different when the shape of the fed nanoparticles changed from spherical to needle-like. The finding suggests that the toxicity of nanomaterials also depends on their shape.

| S-EPMC5544670 | biostudies-literature

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