scholarly journals Atmospheric implication of synergy in methanesulfonic acid–base trimers: a theoretical investigation

RSC Advances ◽  
2020 ◽  
Vol 10 (9) ◽  
pp. 5173-5182 ◽  
Author(s):  
Dongping Chen ◽  
Weina Wang ◽  
Danfeng Li ◽  
Wenliang Wang
Keyword(s):  
Theoretical Investigation ◽  
Quantum Chemical ◽  
Methanesulfonic Acid ◽  
Simulation Method ◽  
Acid Base ◽  
Kinetics Simulation ◽  
The Stability

The effects of synergy of between X and Y on the stability of MSA–X–Y trimers were investigated via quantum chemical and kinetics simulation method.

scholarly journals Synthesis of Bis(Carboranyl)amides 1,1′-μ-(CH2NH(O)C(CH2)n-1,2-C2B10H11)2 (n = 0, 1) and Attempt of Synthesis of Gadolinium Bis(Dicarbollide)

Molecules ◽  
2021 ◽  
Vol 26 (5) ◽  
pp. 1321
Author(s):  
Yasunobu Asawa ◽  
Aleksandra V. Arsent’eva ◽  
Sergey A. Anufriev ◽  
Alexei A. Anisimov ◽  
Kyrill Yu. Suponitsky ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Single Crystal ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
X Ray Diffraction ◽  
Stable Conformation ◽  
Acyl Chlorides ◽  
X Ray ◽  
Cesium Fluoride ◽  
The Stability

Bis(carboranyl)amides 1,1′-μ-(CH2NH(O)C(CH2)n-1,2-C2B10H11)2 (n = 0, 1) were prepared by the reactions of the corresponding carboranyl acyl chlorides with ethylenediamine. Crystal molecular structure of 1,1′-μ-(CH2NH(O)C-1,2-C2B10H11)2 was determined by single crystal X-ray diffraction. Treatment of bis(carboranyl)amides 1,1′-μ-(CH2NH(O)C(CH2)n-1,2-C2B10H11)2 with ammonium or cesium fluoride results in partial deboronation of the ortho-carborane cages to the nido-carborane ones with formation of [7,7′(8′)-μ-(CH2NH(O)C(CH2)n-7,8-C2B9H11)2]2−. The attempted reaction of [7,7′(8′)-μ-(CH2NH(O)CCH2-7,8-C2B9H11)2]2− with GdCl3 in 1,2-dimethoxy- ethane did not give the expected metallacarborane. The stability of different conformations of Gd-containing metallacarboranes has been estimated by quantum-chemical calculations using [3,3-μ-DME-3,3′-Gd(1,2-C2B9H11)2]− as a model. It was found that in the most stable conformation the CH groups of the dicarbollide ligands are in anti,anti-orientation with respect to the DME ligand, while any rotation of the dicarbollide ligand reduces the stability of the system. This makes it possible to rationalize the design of carborane ligands for the synthesis of gadolinium metallacarboranes on their base.

Stability Prediction of Surrounding Rocks and Optimum Design of Roof-Bolt Parameters in Deep Roadway

2013 ◽  
Vol 353-356 ◽  
pp. 436-439
Author(s):  
De Sen Kong ◽  
Yong Po Chen
Keyword(s):  
Prediction Method ◽  
Simulation Method ◽  
Complex Stress ◽  
Roof Bolt ◽  
Deformation And Failure ◽  
Long Run ◽  
Research Findings ◽  
Stress Environment ◽  
Classification Prediction ◽  
The Stability

In order to forecast the stability of deep roadway and optimize the parameters of bolts, the complex stress environment and the multivariate surrounding rocks characteristics of deep roadway were analyzed. Then the classification prediction method and the numerical simulation method were simultaneously used to analysis the stability of surrounding rocks. Furthermore, the supporting parameters of bolts were also designed optimally. It was shown that the characteristics of stress distribution, deformation and failure zone of surrounding rocks are not ideal. So it is necessary to optimize the supporting parameters of deep roadway. All these research findings will provide the theory basis for bolts of deep roadway and will ensure the optimization of bolts and the stability of deep roadway in the long run.

Experimental and theoretical investigation of the stability of stepwise pH gradients in continuous flow electrophoresis

1987 ◽  
Vol 8 (11) ◽  
pp. 503-508 ◽  
Author(s):  
Reinhard Kuhn ◽  
Horst Wagner ◽  
Richard A. Mosher ◽  
Wolfgang Thormann
Keyword(s):  
Theoretical Investigation ◽  
Continuous Flow ◽  
Ph Gradients ◽  
The Stability

Mechanism Analysis of Anchor Bolt and Cable Synergistic Action in Coal Roadway Support

2014 ◽  
Vol 716-717 ◽  
pp. 735-738 ◽  
Author(s):  
Peng Cheng ◽  
Jian Zhang ◽  
Ai Qing Liu
Keyword(s):  
Simulation Method ◽  
Paper Analysis ◽  
Synergistic Action ◽  
Mechanism Analysis ◽  
Anchor Bolt ◽  
Tension Distribution ◽  
Coal Roadway ◽  
Cable Force ◽  
Roadway Support ◽  
The Stability

Aiming at the current situation of anchor bolt and cable arrangement in mine roadway support, the paper analysis the mechanical characteristics and mechanism of bolts and cables, and numerical simulation method is used to comparison and analysis of pre-tension distribution characteristics under different anchor bolt-cable arrangement. The research indicated that separate anchor bolt-cable layout in different sections, anchor bolt and cable force stable equilibrium, coordinate with each other, at this time roadway surrounding rock of shallow and deep pretension distribution more reasonable, can play a role of bolt anchor cable synergistic action, and form the best pre-tension load-bearing structure, which is helpful to keep the stability of coal roadway.

scholarly journals Competition between excited state proton and OH− transport via a short water wire: solvent effects open the gate

2014 ◽  
Vol 16 (26) ◽  
pp. 13047-13051 ◽  
Author(s):  
Gül Bekçioğlu ◽  
Christoph Allolio ◽  
Maria Ekimova ◽  
Erik T. J. Nibbering ◽  
Daniel Sebastiani
Keyword(s):  
Excited State ◽  
Exchange Reaction ◽  
Quantum Chemical Calculations ◽  
Solvent Effects ◽  
Quantum Chemical ◽  
Proton Exchange ◽  
Acid Base

We investigate the acid–base proton exchange reaction in a microsolvated bifunctional chromophore by means of quantum chemical calculations.

Quasi-Periodic Motion and Hopf Bifurcation of a Two-Dimensional Aeroelastic Airfoil System in Supersonic Flow

2021 ◽  
Vol 31 (02) ◽  
pp. 2150018
Author(s):  
Wentao Huang ◽  
Chengcheng Cao ◽  
Dongping He
Keyword(s):  
Hopf Bifurcation ◽  
Sufficient Conditions ◽  
Theoretical Method ◽  
Simulation Method ◽  
Runge Kutta Method ◽  
Complex Roots ◽  
The Stability ◽  
Necessary And Sufficient ◽  
2D And 3D ◽  
Imaginary Roots

In this article, the complex dynamic behavior of a nonlinear aeroelastic airfoil model with cubic nonlinear pitching stiffness is investigated by applying a theoretical method and numerical simulation method. First, through calculating the Jacobian of the nonlinear system at equilibrium, we obtain necessary and sufficient conditions when this system has two classes of degenerated equilibria. They are described as: (1) one pair of purely imaginary roots and one pair of conjugate complex roots with negative real parts; (2) two pairs of purely imaginary roots under nonresonant conditions. Then, with the aid of center manifold and normal form theories, we not only derive the stability conditions of the initial and nonzero equilibria, but also get the explicit expressions of the critical bifurcation lines resulting in static bifurcation and Hopf bifurcation. Specifically, quasi-periodic motions on 2D and 3D tori are found in the neighborhoods of the initial and nonzero equilibria under certain parameter conditions. Finally, the numerical simulations performed by the fourth-order Runge–Kutta method provide a good agreement with the results of theoretical analysis.

scholarly journals DEVELOPMENT OF HPLC STABILITY DEMONSTRATING METHODOLOGY FOR QUANTIFYING AZELNIDIPINE AND TELMISARTAN IN TABLETS AND BULK TYPES: VALIDATION FOLLOWING ICH DIRECTIVES

2021 ◽  
pp. 298-305
Author(s):  
KRISHNAPHANISRI PONNEKANTI ◽  
K. SUNITHA
Keyword(s):  
Acid Base ◽  
Testing Conditions ◽  
Heat Degradation ◽  
Photodiode Array ◽  
Recovery Percentage ◽  
Inner Diameter ◽  
The Stability ◽  
First Time ◽  
Oxidation Degradation ◽  
Degradation Testing

Objective: Azelnidipine (AZEL) and Telmisartan (TELM) combination is referred to the sufferers of hypertension. No analytical process has yet been mentioned for the TELM and AZEL combination analysis. We, therefore, have designed for its first time stability demonstrating methodology based on HPLC for analysing TELM and AZEL in the tablets and bulk. Methods: The assay of TELM and AZEL was get done on a 250 mm length C18 column (Supelco, 4.6 mm inner diameter, 5.0 μm particle size), and utilized 0.1M Na2SO4 (pH 3.6) and acetonitrile (55% volume:  45% volume) as the mobile solvents phase, at a stream rate 1.0 ml/min. HPLC recognition of TELM and AZEL was taken by a photodiode array sensor set at 258 nm. For validation of the stability demonstrating methodology proposed in terms of sensitivity, precision, specificity, linearity, device adequacy, robustness and accuracy, ICH directives were followed. Results: Calibration curves of TELM and AZEL were generated in the array of 20-60 µg/ml and 4-12 µg/ml with recovery percentage ranges of 99.62%-101.05% and 97.76%-100.17%, and detection limits of 0.020 µg/ml and 0.009 µg/ml, respectively. TELM and AZEL stability was inspected in the existence of acid, base, light, heat, and oxidation and it was realised to be more stable under oxidation degradation testing conditions employed when compared to acid, alkaline, photo, and heat degradation testing conditions applied. Conclusion: The observations demonstrated that the described HPLC stability demonstrating methodology was suitable for quantitating TELM and AZEL combination in tablets and bulk.

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