Search results for "TRID"
showing 10 items of 753 documents
Oxygen-related defects and energy accumulation in aluminum nitride ceramics
2001
Abstract Features of oxygen-related defects in the AlN crystalline lattice were studied. Spectral characteristics of photoluminescence and photostimulated luminescence under the UV light irradiation of AlN ceramics were examined. The results obtained allow us to propose the mechanisms of luminescence and radiation-induced energy accumulation in AlN.
Electronic Band Transitions in γ-Ge3N4
2021
This work has been carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom research and training programme 2014-2018 and 2019-2020 under grant agreement No 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission. Support from Estonian Research Council grant PUT PRG 619 is gratefully acknowledged. The multi-anvil experiments at LMV were supported by the French Government Laboratory of Excellence initiative no ANR-10-LABX-0006, the Région Auvergne and the European Regional Development Fund (ClerVolc Contribution Number 478).
Development of dark Ti(C,O,N) coatings prepared by reactive sputtering
2008
Accepted manuscript
First-principles calculations of point defects in inorganic nanotubes
2013
The first-principles calculations have been performed to investigate the ground-state properties of monoperiodic boron nitride (BN), TiO2, and SrTiO3 single-walled nanotubes (SW NTs) containing extrinsic point defects. The hybrid exchange–correlation functionals PBE, B3LYP, and B3PW within the framework of density functional theory (DFT) have been applied for large-scale ab initio calculations on NTs with the following substitutional impurities: AlB, PN, GaB, AsN, InB, and SbN in the BN NT, as well as CO, NO, SO, and FeTi in the TiO2 and SrTiO3 NTs, respectively. The variations in formation energies obtained for equilibrium defective nanostructures allow us to predict the most stable compos…
Growth of sub-nanometric palladium clusters on boron nitride nanotubes: a DFT study.
2015
A QM/MM investigation is reported dealing with the nucleation and growth of small palladium clusters, up to Pd8, on the outer surface of a suitable model of boron nitride nanotubes (BNNTs). It is shown that BNNTs could have a template effect on the cluster growth, which is due to the interplay between Pd–N and Pd–Pd interactions as well as due to the matching of the B3N3 ring and the Pd(111) face arrangement. The values for the cluster adsorption energies reveal a relatively strong physisorption, which suggests that under particular conditions the BNNTs could be used as supports for the preparation of shape-controlled metal clusters.
Neuromuscular fatigue induced by a 90-minute soccer game modeling.
2012
This study aimed to quantify neuromuscular fatigue induced by a soccer game. Eight amateur soccer players (age 20.4 ± 1.3 years, mass 70.4 ± 6.9 kg, and height 174.9 ± 5.2 cm) reproduced a 90-minute soccer game modeling composed of two 45-minute periods separated by a 15-minute rest. Torque of quadriceps and hamstring muscle groups associated with electromyography, sprint speed, and vertical jump height was assessed before, at halftime, and immediately after the modeling. Most physical qualities decreased throughout the game with greater decays at match end than at halftime. Contrarily to quadriceps muscles, hamstring torque impairments were not accompanied by electromyographic activity red…
Stereoselective synthesis and application of tridentate aminodiols derived from (+)-pulegone
2016
Abstract A library of tridentate aminodiols, derived from naturally occurring (R)-(+)-pulegone, was synthesized and applied as chiral catalysts in the addition of diethylzinc to benzaldehyde. The reduction of pulegone furnished pulegol, which was transformed into allylic trichloroacetamide via Overman rearrangement of the corresponding trichloroacetimidate. The protected enamine was subjected to dihydroxylation with OsO4/NMO system resulting in a 1:1 mixture of (1R,2R,4R)- and (1S,2S,4R)-aminodiol diastereomers. After the removal of the trichloroacetyl protecting groups, the obtained primary aminodiols were transformed into secondary ones. The regioselectivity of the ring closure of the N-b…
Polycyclic aromatic chains on metals and insulating layers by repetitive [3+2] cycloadditions
2020
The vast potential of organic materials for electronic, optoelectronic and spintronic devices entails substantial interest in the fabrication of π-conjugated systems with tailored functionality directly at insulating interfaces. On-surface fabrication of such materials on non-metal surfaces remains to be demonstrated with high yield and selectivity. Here we present the synthesis of polyaromatic chains on metallic substrates, insulating layers, and in the solid state. Scanning probe microscopy shows the formation of azaullazine repeating units on Au(111), Ag(111), and h-BN/Cu(111), stemming from intermolecular homo-coupling via cycloaddition reactions of CN-substituted polycyclic aromatic az…
An Integrated Pharmacophore/Docking/3D-QSAR Approach to Screening a Large Library of Products in Search of Future Botulinum Neurotoxin A Inhibitors
2020
Botulinum toxins are neurotoxins produced by Clostridium botulinum. This toxin can be lethal for humans as a cause of botulism
Encapsulation capacity and natural payload delivery of an anticancer drug from boron nitride nanotube.
2016
The behavior of confined anticancer carboplatin (CPT) molecules in a single (10, 10) boron nitride nanotube (BNNT) was studied by means of molecular dynamics simulations. Our study revealed a very large storage capacity of BNNT. Analysis of the energy profiles depending on the number of confined molecules, and on their spatial organization allowed us to quantify the ability of BNNT to vectorize CPT. Indeed, BNNT despite its small radius presented a large inner volume that favored stable encapsulation of multiple active anticancer molecules. Moreover, in our molecular dynamics simulations, the empty BNNT and the BNNT filled with CPT diffused spontaneously to the cell membrane and were able t…