Multiphoton Processes of Two Modes of Quantized Field Interaction with Interacting Asymmetric Two Two-Level Atoms

International Journal of Theoretical Physics - The interaction between two modes quantized field and asymmetric two atoms represents one of the important quantum models to study the nonclassical...     

Utilization of biodiesel/Al2O3 nanoparticles for combustion behavior enhancement of a diesel engine operated on dual fuel mode

Journal of Thermal Analysis and Calorimetry - Various nanofluids (NFs) have been prepared using nanoparticles (NPs) for dual fuel engine application in this present work. In the initial segment of...     

Utility of Silver-nanoparticles for Nano-fluorimetric Determination of Vancomycin Hydrochloride in Pharmaceutical Formulation and Biological Fluids: Greenness Assessment

Journal of Fluorescence - Vancomycin hydrochloride (VANH) is a glycopeptide antibiotic commonly employed in the prophylaxis and therapy of various gram-positive bacterial life-threatening...     

Local linear convergence analysis of Primal–Dual splitting methods

In this paper, we study the local linear convergence properties of a versatile class of Primal–Dual splitting methods for minimizing composite non-smooth convex optimization problems. Under the assumption that the non-smooth components of the problem are partly smooth relative to smooth manifolds, we present a unified local convergence analysis framework for these methods. More precisely, in our framework, we first show that (i) the sequences generated by Primal–Dual splitting methods identify a pair of primal and dual smooth manifolds in a finite number of iterations, and then (ii) enter a local linear convergence regime, which is characterized based on the structure of the underlying active smooth manifolds. We also show how our results for Primal–Dual splitting can be specialized to cover existing ones on Forward–Backward splitting and Douglas–Rachford splitting/ADMM (alternating direction methods of multipliers). Moreover, based on these obtained local convergence analysis result, several practical acceleration techniques are discussed. To exemplify the usefulness of the obtained result, we consider several concrete numerical experiments arising from fields including signal/image processing, inverse problems and machine learning. The demonstration not only verifies the local linear convergence behaviour of Primal–Dual splitting methods, but also the insights on how to accelerate them in practice.     

Polymer complexes. LXXVI. Synthesis,characterization, CT‐DNA binding,molecular docking and thermal studies of sulfoxine polymer complexes

Novel polymer complexes of 8‐hydroxyquinoline‐5‐sulfonic acid hydrate ( H ₂ L ) with Cu²⁺, Co²⁺ and Ni²⁺ chloride were prepared and characterized. Microanalysis, magnetic susceptibility, IR spectra, electron spin resonance, mass spectra, X‐ray, molar conductance, thermal, and UV–Vis spectra studies have been used to confirm the structure of the prepared polymer complexes. The molecular and electronic structures of the hydrogen bond conformers for ligand ( H ₂ L ) were optimized theoretically and the quantum chemical parameters were calculated. On the basis of elemental and IR data, the chemical structure of metal chelates commensurate that the tri‐dentate (H₂L) coordinate to metal chlorides through oxygen atom of phenolic OH and oxygen atom of SO₃‐H group by replacing H atoms and nitrogen of the quinoline ring. The magnetic studies suggested the octahedral geometrical structure for all produced polymer complexes with general formula {[ML (OH₂)₃] .xH₂O}_n (M = Cu²⁺, x = 1.; Co²⁺, x = 2 and Ni²⁺, x = 2) in molar ratio (1:1). Coats–Redfern and Horowitz–Metzger methods have been used for calculating the activation thermodynamic parameters of the thermal decomposition for H ₂ L and its polymer complexes. The interaction between H ₂ L and its transition metal complexes with the calf thymus DNA (CT‐DNA) was determined by UV–Vis spectra. Binding efficiency between H ₂ L with the receptors of the prostate cancer (PDB code 2Q7L Hormone) and the breast cancer (PDB code 1JNX Gene regulation) was studied by molecular docking. The inhibition behaviour of H ₂ L against the corrosion of carbon steel / HCl (2 M) solution was studied by weight loss, Tafel polarisation, electrochemical impedance spectroscopy (EIS) and electrochemical frequency modulation (EFM) techniques. The adsorption isotherm was found to be Friendlish isotherm. The morphology of inhibited carbon steel? s surface was studied using scanning electron microscope (SEM) and energy dispersive X‐ray spectroscopy (EDS).     

Are there analogues of the indenyl effect in larger ring systems: a DFT study of hydride attack on [Mn(CO)3(naphthalene)]+ and [Cr(CO)3(benzotropylium)]+

Structural Chemistry - Two pairs of complexes, [Mn(CO)3(benzene)]+/[Mn(CO)3(naphthalene)]+ and [Cr(CO)3(tropylium)]+/[Cr(CO)3(benzotropylium)]+, have been used as a platform to establish the extent...     

A New Approach for Synthesis of Low‐moisture Glycidyl Azide Polymer

In this work, low‐moisture glycidyl azide polymer (GAP) was successfully prepared using a modified two‐step method. The modified method resembles the structure of the classical two‐step method, which is widely used to prepare the GAP. Firstly, epichlorohydrin (ECH) is polymerized into polyepicholorohydrin (PECH), which is subjected afterward to azidation step using sodium azide (NaN₃). Interestingly, minimizing the water content in the final GAP product, which is a challenging when dealing with GAP as a rocket propellant binder, was effectively achieved by utilizing low boiling point solvents instead of the relatively high boiling point Dimethyl formamide (DMF), monitoring the volatility of ECH and controlling the exothermicity of the reaction. Prepared GAP samples were investigated using Fourier transformer infra‐red (FT‐IR), gel‐permeation chromatography (GPC) and elemental analysis apparatus (CHNS) were used to characterize the product. The moisture % in the final product was examined using the Karl‐Fisher Technique. Results showed the successful preparation of GAP with low water content (<0.01 %), high average molecular weight (> 2000 g · mol^–1), 42.82 % nitrogen, a viscosity of 3484 cP at 20 °C, yield ranges between 95–98 % and a polydispersity index of 1.2. The prepared GAP is promising for replacement of the classical GAPs in the energetic materials applications.     

Ceramic fuel cells using novel proton-conducting BaCe0.5Zr0.3Y0.1Yb0.05Zn0.05O3-δ electrolyte

Journal of Solid State Electrochemistry - Protonic ceramic fuel cells have become extremely interesting due to their high power output at the intermediate temperature range...     

Ab initio and Monte Carlo studies of phase transitions and magnetic properties of YCrO3: Heisenberg model

By using the density functional theory (DFT) and Monte Carlo simulations (MCS) with the Heisenberg model, we have studied magnetic properties of the bulk perovskite YCrO₃. The exchange couplings of the Heisenberg model and the magnetic anisotropy are investigated. The 110 direction in the crystalline structure of the compound has shown the minimum energy, it is the easy magnetic direction. Using Monte Carlo simulations, the magnetizations behavior, the effects of system parameters and the critical exponents of the compound YCrO₃ are implemented. It is shown that the bulk perovskite YCrO₃ belongs to the 3D Heisenberg universality class.