Search results for "hiukkaset"
showing 10 items of 157 documents
Towards Atomically Precise Supported Catalysts from Monolayer‐Protected Clusters: The Critical Role of the Support
2020
Abstract Controlling the size and uniformity of metal clusters with atomic precision is essential for fine‐tuning their catalytic properties, however for clusters deposited on supports, such control is challenging. Here, by combining X‐ray absorption spectroscopy and density functional theory calculations, it is shown that supports play a crucial role in the evolution of monolayer‐protected clusters into catalysts. Based on the acidic nature of the support, cluster‐support interactions lead either to fragmentation of the cluster into isolated Au–ligand species or ligand‐free metallic Au0 clusters. On Lewis acidic supports that bind metals strongly, the latter transformation occurs while pre…
How much is enough? : The convergence of finite sample scattering properties to those of infinite media
2021
We study the scattering properties of a cloud of particles. The particles are spherical, close to the incident wavelength in size, have a high albedo, and are randomly packed to 20% volume density. We show, using both numerically exact methods for solving the Maxwell equations and radiative-transfer-approximation methods, that the scattering properties of the cloud converge after about ten million particles in the system. After that, the backward-scattered properties of the system should estimate the properties of a macroscopic, practically infinite system. (C) 2021 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.o…
The chronic effects of fullereneC 60 -associated sediments in the midge Chironomus riparius – Responses in the first and the second generation
2017
Abstract The life cycle parameters of the benthic invertebrate Chironomus riparius make it a relevant organism for use in multi-generation chronic ecotoxicology tests. Since studies on chronic exposures with fullerene carbon nanoparticles have revealed adverse effects at lower concentration ranges, it is crucial to gain understanding of the consequences in following generations. The aims of this study were to investigate whether sediment-associated fullereneC 60 impacts on C. riparius emergence and breeding, thus affecting the growth of the second generation. Larvae were exposed to fullerene-spiked sediment at concentrations of 0.5, 10 and 40 mg/kg sediment dw. Total emergence and breeding …
Arabidopsis RCD1 coordinates chloroplast and mitochondrial functions through interaction with ANAC transcription factors
2019
Reactive oxygen species (ROS)-dependent signaling pathways from chloroplasts and mitochondria merge at the nuclear protein RADICAL-INDUCED CELL DEATH1 (RCD1). RCD1 interacts in vivo and suppresses the activity of the transcription factors ANAC013 and ANAC017, which mediate a ROS-related retrograde signal originating from mitochondrial complex III. Inactivation of RCD1 leads to increased expression of mitochondrial dysfunction stimulon (MDS) genes regulated by ANAC013 and ANAC017. Accumulating MDS gene products, including alternative oxidases (AOXs), affect redox status of the chloroplasts, leading to changes in chloroplast ROS processing and increased protection of photosynthetic apparatus.…
A method for structure prediction of metal-ligand interfaces of hybrid nanoparticles
2019
Hybrid metal nanoparticles, consisting of a nano-crystalline metal core and a protecting shell of organic ligand molecules, have applications in diverse areas such as biolabeling, catalysis, nanomedicine, and solar energy. Despite a rapidly growing database of experimentally determined atom-precise nanoparticle structures and their properties, there has been no successful, systematic way to predict the atomistic structure of the metal-ligand interface. Here, we devise and validate a general method to predict the structure of the metal-ligand interface of ligand-stabilized gold and silver nanoparticles, based on information about local chemical environments of atoms in experimental data. In …
Prospects and challenges for computer simulations of monolayer-protected metal clusters
2021
Precise knowledge of chemical composition and atomic structure of functional nanosized systems, such as metal clusters stabilized by an organic molecular layer, allows for detailed computational work to investigate structure-property relations. Here, we discuss selected recent examples of computational work that has advanced understanding of how these clusters work in catalysis, how they interact with biological systems, and how they can make self-assembled, macroscopic materials. A growing challenge is to develop effective new simulation methods that take into account the cluster-environment interactions. These new hybrid methods are likely to contain components from electronic structure t…
3D Printed Palladium Catalyst for Suzuki-Miyaura Cross-coupling Reactions
2020
Selective laser sintering (SLS) 3d printing was utilized to manufacture a solid catalyst for Suzuki-Miyaura cross-coupling reactions from polypropylene as a base material and palladium nanoparticles on silica (SilicaCat Pd(0)R815-100 by SiliCycle) as the catalytically active additive. The 3d printed catalyst showed similar activity to that of the pristine powdery commercial catalyst, but with improved practical recoverability and reduced leaching of palladium into solution. Recycling of the printed catalyst led to increase of the induction period of the reactions, attributed to the pseudo-homogeneous catalysis. The reaction is initiated by oxidative addition of aryl iodide to palladium nano…
Isovector and isoscalar spin-multipole giant resonances in the parent and daughter nuclei of double-β-decay triplets
2022
The strength distributions, including giant resonances, of isovector and isoscalar spin-multipole transitions in the commonly studied double-β-decay triplets are computed in the framework of the quasiparticle random-phase approximation (QRPA) using the Bonn-A two-body interaction in no-core single-particle valence spaces. The studied nuclei include the double-β parent and daughter pairs (76Ge, 76Se), (82Se, 82Kr), (96Zr, 96Mo), (100Mo, 100Ru), (116Cd, 116Sn), (128Te, 128Xe), (130Te, 130Xe), and (136Xe, 136Ba). The studied transitions proceed from the ground states to the Jπ=0−,1−,2− (spin-dipole transitions) and Jπ=1+,2+,3+ (spin-quadrupole transitions) excited states in these nuclei. Compa…
Nano-magnetic potassium impregnated ceria as catalyst for the biodiesel production
2019
Abstract The main objective of this work comprises the investigation of biodiesel production from rapeseed oil using potassium impregnated Fe3O4-CeO2 nanocatalyst. The various concentration of potassium impregnated Fe3O4-CeO2 was screened for catalytic conversion of rapeseed oil to triglyceride methyl ester. The 25 wt % potassium impregnated Fe3O4-CeO2 nanocatalyst showed best biodiesel production. Nanocatalyst was characterized by FTIR, XRD, SEM, TEM, BET and Hammett indicator for basicity test. The characterization of biodiesel was performed with GC-MS, 1H and 13C NMR. Moreover, the optimum reaction parameters such as catalyst amount (wt %), oil to methanol ratio, reaction time and reacti…
Plasmonic Nanosensor Array for Multiplexed DNA-based Pathogen Detection
2019
In this research we introduce a plasmonic nanoparticle based optical biosensor for monitoring of molecular binding events. The sensor utilizes spotted gold nanoparticle arrays as sensing platform. The nanoparticle spots are functionalized with capture DNA sequences complementary to the analyte (target) DNA. Upon incubation with the target sequence, it will bind on the respectively complementary functionalized particle spot. This binding changes the local refractive index, which is detected spectroscopically as the resulting changes of the localized surface plasmon resonance (LSPR) peak wavelength. In order to increase the signal, a small gold nanoparticle label is introduced. The binding ca…