Materials Literature
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Abstract Thin films of organic semiconductors are intensively studied in view of their exploitation in modern electronic devices. Until now, few crystalline substrates have been used as clean surfaces for organic molecular beam epitaxy (OMBE). Among them, ?-alanine crystals recently proved to be valuable substrates be…
The energy-resolved neutron transmission of mosaic crystals contains a series of dips in intensity, at specific neutron wavelengths defined by the orientation of the specimen in the neutron beam. This article presents a Rietveld type full-pattern analysis of neutron transmission experiments on mosaic crystals performe…
Relativistic effects are important for the accurate evaluation of the observables of nuclear magnetic resonance (NMR) spectroscopy, the nuclear magnetic shielding and the indirect spin–spin coupling tensors. Some of the most notable relativistic effects, in particular for light elements in the vicinity of heavy nuclei…
In the course of a 2-year combined chronic toxicity—carcinogenicity study performed according to Organisation for Economic Co-operation and Development (OECD) Test Guideline 453, systemic (blood cell) genotoxicity of two OECD representative nanomaterials, CeO2 NM-212 and BaSO4 upon 3- or 6-month inhalation exposure to…
Hydrogenation is one of the effective methods for improving the performance of ZnO thin film transistors (TFTs), which originate from the fact that hydrogen (H) acts as a defect passivator and a shallow n-type dopant in ZnO materials. However, passivation accompanied by an excessive H doping of the channel region of a…
The antioxidant potencies of chondroitin sulfates (CSs) from shark cartilage, salmon cartilage, bovine trachea, and porcine intestinal mucosa were compared by three representative methods for the measurement of the antioxidant activity; DPPH radical scavenging activity, superoxide radical scavenging activity, and hydr…
Cholesterol can be a major carbon source forMycobacterium tuberculosisduring infection, both at an early stage in the macrophage phagosome and later within the necrotic granuloma. KstR is a highly conserved TetR family transcriptional repressor that regulates a large set of genes responsible for cholesterol catabolism…
We describe a facile route to well-defined, solution-processable pentacene oligomers (2 to 7) and homopolymer using Suzuki–Miyaura cross-coupling reactions. Because this synthetic strategy leads to regioisomers, regiopure syn - and anti -trimers were also synthesized, revealing minimal changes in solution properties b…
At present, the giant impact (GI) is the most widely accepted model for the origin of the Moon. Most of the numerical simulations of GI have been carried out with the smoothed particle hydrodynamics (SPH) method. Recently, however, it has been pointed out that standard formulation of SPH (SSPH) has difficulties in the…
A newly developed wavelength-dispersive soft X-ray emission spectrometer (WD-SXES) with two kinds of gratings, JS50XL and JS200N, were installed on electron probe microanalysers (EPMA) and scanning electron microscopes (SEM). The new detector covers the energy range from 50 to 210 eV with an energy resolution of bette…
We study the aggregation of calcium silicate hydrate nanoplatelets on a surface by means of Monte Carlo and molecular dynamics simulations at thermodynamic equilibrium. Calcium silicate hydrate (C-S-H) is the main component formed in cement and is responsible for the strength of the material. The hydrate is formed in…
In this report, we characterize the kinetics and dynamics of energy exchange between intramolecular and intermolecular degrees of freedom (DoF) in crystalline 1,3,5-triamino-2,4,6-trinitrobenzene (TATB). All-atom molecular dynamics (MD) simulations are used to obtain predictions for relaxation from certain limiting in…
During dynamic random access memory (DRAM) capacitor scaling, a lot of effort was put searching for new material stacks to overcome the scaling limitations of the current material stack, such as leakage and sufficient capacitance. In this study, very promising results for a SrTiO3 based capacitor with a record low cap…
The terahertz (THz) modulators, as an essential component of the THz system, have been developed by many efforts until now. However, the development of flexible THz modulators is hindered due to the lack of flexible THz modulating materials. Herein, for the first time to the best of our knowledge, we demonstrated the…
BACKGROUND: Functionalized gold nanoparticles are emerging as a promising nanocarrier for target specific delivery of the therapeutic molecules in a cancer cell, as a result it targeted selectively to the cancer cell and minimized the off-target effect. The functionalized nanomaterial (bio conjugate) brings novel func…
Due to their high potentiality for photovoltaic applications or coherent light sources, a renewed interest in hybrid organic perovskites has emerged for few years. When they are arranged in two dimensions, these materials can be considered as hybrid quantum wells. One consequence of the unique structure of 2D hybrid o…
Quantitative annular dark-field in the scanning transmission electron microscope (ADF STEM), where image intensities are used to provide composition and thickness measurements, has enjoyed a renaissance during the last decade. Now in a post aberration-correction era many aspects of the technique are being revisited. H…
Synchrotron X-ray radiography, due to its high temporal and spatial resolutions, provides a valuable means for understanding the in operando water transport behaviour in polymer electrolyte membrane fuel cells. The purpose of this study is to address the specific artefact of imaging sample movement, which poses a sign…
We theoretically investigate gap plasmons for two silver nanocubes coupled through a molecular tunnel junction. In the absence of tunneling, the redshift of the bonding mode saturates with decreasing gap distance. Tunneling at small gap distances leads to a damping and slight blueshift of the bonding mode, but no low-…
Chiral amines are valuable building blocks for the production of a variety of pharmaceuticals, agrochemicals and other specialty chemicals. Only recently, imine reductases (IREDs) were discovered which catalyze the stereoselective reduction of imines to chiral amines. Although several IREDs were biochemically characte…