Direct synthesis of barium titanium oxyhydride for use as a hydrogen-permeable electrode

2021 ◽  
Author(s):  
Tasuku Uchimura ◽  
Fumitaka Takeiri ◽  
Kei Okamoto ◽  
Takashi Saito ◽  
Takashi Kamiyama ◽  
...  
Keyword(s):  
Direct Synthesis ◽  
Polycrystalline Sample ◽  
Functional Material ◽  
Mechanochemical Method ◽  
Mixed Conduction ◽  
Permeable Electrode ◽  
Barium Titanium

Barium titanium oxyhydride BaTiO3–xHx is a promising functional material that exhibits H–/e– mixed conduction. Here we firstly report a direct synthesis of BaTiO3–xHx by mechanochemical method. The prepared polycrystalline sample...

Mechanochemistry – a new powerful green approach to the direct synthesis of alkoxysilanes

2018 ◽  
Vol 20 (9) ◽  
pp. 1962-1969 ◽  
Author(s):  
Maxim N. Temnikov ◽  
Anton A. Anisimov ◽  
Pavel V. Zhemchugov ◽  
Dmitry N. Kholodkov ◽  
Alexander S. Goloveshkin ◽  
...  
Keyword(s):  
Direct Synthesis ◽  
Mechanochemical Method ◽  
One Stage ◽  
Green Approach

The present work shows a new one-stage mechanochemical method for the direct synthesis of alkoxysilanes.

scholarly journals Direct Synthesis of (K0.5Na0.5)NbO3Powders by Mechanochemical Method

2013 ◽  
Vol 2013 ◽  
pp. 1-4 ◽  
Author(s):  
Nguyen Duc Van
Keyword(s):  
Milling Time ◽  
Direct Synthesis ◽  
Weight Ratio ◽  
Intermediate Species ◽  
X Ray Diffraction ◽  
Mechanochemical Method ◽  
X Ray ◽  
Milling Parameters ◽  
First Time ◽  
Carbonato Complex

The synthesis and structural properties of lead-free piezoelectric (K0.5Na0.5)NbO3powders prepared by mechanochemical method using Nb2O5, K2CO3, and Na2CO3as starting materials were reported. X-ray diffraction, infrared spectroscopy, Raman spectroscopy, and scanning electron microscopy were used to characterize the prepared samples. Results showed that, for the first time, by selecting the milling speed of 600 rpm and the ball-to-powder weight ratio of 35 : 1 as milling parameters, pure (K0.5Na0.5)NbO3crystalline phase was obtained directly in the as-milled samples after 5 h of milling time. The existence of a carbonato complex betweenCO32−and Nb5+ions as an intermediate species of the formation of (K0.5Na0.5)NbO3was also found.

Direct synthesis and growth mechanism of metal molybdate (AMoO 4 ; A = Ca and Ba) fine particles via the mechanochemical method

2017 ◽  
Vol 43 ◽  
pp. S435-S443 ◽  
Author(s):  
Wanwisa Janbua ◽  
Theerachai Bongkarn ◽  
Wanwilai Vittayakorn ◽  
Naratip Vittayakorn
Keyword(s):  
Growth Mechanism ◽  
Fine Particles ◽  
Direct Synthesis ◽  
Mechanochemical Method ◽  
Metal Molybdate

Properties of nanocomposites based on isotactic polypropylene and high-pressure polyethylene with metal-containing nanofillers

2020 ◽  
pp. 59-64
Author(s):  
N. I. Kurbanova ◽  
◽  
T. M. Gulieva ◽  
N. Ya. Ischenko ◽  
◽  
...  
Keyword(s):  
High Pressure ◽  
Synergistic Effect ◽  
Polymer Matrix ◽  
Isotactic Polypropylene ◽  
Rheological Parameters ◽  
Mechanochemical Method ◽  
X Ray ◽  
Effect Of Additives ◽  
High Pressure Polyethylene ◽  
Properties Of Composites

The effect of additives of nanofillers (NF) containing nanoparticles (NP) of copper oxide, stabilized by a polymer matrix of maleized polyethylene (MPE), obtained by the mechanochemical method, on the properties of composites based on isotactic polypropylene (PP) and high-pressure polyethylene (PE) was studied by X-ray phase (XRD) and thermogravimetric (TGA) analyzes. The enhancement of strength, deformation, and rheological parameters, as well as the thermo-oxidative stability of the obtained nanocomposites was revealed, which, apparently, is due to the synergistic effect of the interaction of copper-containing nanoparticles with anhydride groups of MPE. It is shown that nanocomposites based on PP/PE/NF can be processed both by pressing and injection molding and extrusion, which expands the scope of its application.

Structure Guided Molecular Docking Assisted Alignment Dependent 3DQSAR Study on Steroidal Aromatase Inhibitors (SAIs) as Anti-breast Cancer Agents

2019 ◽  
Vol 16 (7) ◽  
pp. 808-817 ◽  
Author(s):  
Laxmi Banjare ◽  
Sant Kumar Verma ◽  
Akhlesh Kumar Jain ◽  
Suresh Thareja
Keyword(s):  
Breast Cancer ◽  
Molecular Docking ◽  
Aromatase Inhibitors ◽  
Direct Synthesis ◽  
3D Qsar ◽  
Chemotherapeutic Agents ◽  
Modeling Tools ◽  
Data Set ◽  
Wide Range ◽  
Steroidal Aromatase Inhibitors

Background: In spite of the availability of various treatment approaches including surgery, radiotherapy, and hormonal therapy, the steroidal aromatase inhibitors (SAIs) play a significant role as chemotherapeutic agents for the treatment of estrogen-dependent breast cancer with the benefit of reduced risk of recurrence. However, due to greater toxicity and side effects associated with currently available anti-breast cancer agents, there is emergent requirement to develop target-specific AIs with safer anti-breast cancer profile. Methods: It is challenging task to design target-specific and less toxic SAIs, though the molecular modeling tools viz. molecular docking simulations and QSAR have been continuing for more than two decades for the fast and efficient designing of novel, selective, potent and safe molecules against various biological targets to fight the number of dreaded diseases/disorders. In order to design novel and selective SAIs, structure guided molecular docking assisted alignment dependent 3D-QSAR studies was performed on a data set comprises of 22 molecules bearing steroidal scaffold with wide range of aromatase inhibitory activity. Results: 3D-QSAR model developed using molecular weighted (MW) extent alignment approach showed good statistical quality and predictive ability when compared to model developed using moments of inertia (MI) alignment approach. Conclusion: The explored binding interactions and generated pharmacophoric features (steric and electrostatic) of steroidal molecules could be exploited for further design, direct synthesis and development of new potential safer SAIs, that can be effective to reduce the mortality and morbidity associated with breast cancer.

α-Ketophosphonates in the Synthesis of α-iminophosphonates

2020 ◽  
Vol 7 (2) ◽  
pp. 226-238
Author(s):  
Petro P. Ony`sko ◽  
Tetyana I. Chudakova ◽  
Vladimir V. Pirozhenko ◽  
Alexandr B. Rozhenko
Keyword(s):  
Bond Cleavage ◽  
Direct Synthesis ◽  
Equilibrium Mixture ◽  
Primary Amines ◽  
Alkyl Amines ◽  
Protic Solvents ◽  
Metallic Salts ◽  
Direct Preparation ◽  
Stage Synthesis ◽  
Aprotic Dipolar Solvent

The potentialities of condensation of α-ketophosphonates with primary amines for direct synthesis of α-iminophosphonates have been revealed. Diesters of α-ketophosphonic acids react with the primary amines by two competitive pathways: with a formation of α-iminophosphonates or a C-P bond cleavage resulting in a hydrogen phosphonate and an acylated amine. In many cases, the latter undesirable pathway is dominant, especially for more nucleophilic alkyl amines. Using metallic salts of α-ketophosphonates avoids the C-P bond cleavage, allowing direct preparation of α-phosphorylated imines by the reaction with primary amines. This strategy provides an atom economy single-stage synthesis of iminophosphonates – precursors of bio relevant phosphorus analogs of α-amino acids. Methyl sodium iminophosphonates, bearing aryl or heteryl substituents at the imino carbon atom exist in solutions at room temperature as an equilibrium mixture of Z- and E-isomers. A configuration of the C=N bond can be controlled by the solvent: changing the aprotic dipolar solvent DMSO-d6 by water or alcohols leads to the change from a predominant Z-isomer to almost an exclusive E-form. In contrast, diesters of the respective iminophosphonates exist in non-protic solvents predominantly in Econfiguration. The solvent effect on E-Z stereochemistry is demonstrated by DFT calculations.

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