Silica-coated magnetic nanoparticles functionalized cobalt complex: a recyclable and efficient catalyst for the C−C bond formation

In this study, the Co-based catalyst was prepared by cobalt immobilization on the surface of functionalized silica-coated magnetic NPs (Fe₃O₄@SiO₂-CT-Co) as a magnetically core–shell nanocatalyst and characterized by FT-IR, TGA, XRD, VSM, SEM, TEM, EDX, EDX mapping, and ICP techniques and appraised in the Suzuki–Miyaura cross-coupling reaction under mild reaction conditions. The results displayed the superparamagnetic behavior of the Fe₃O₄ NPs core encapsulated by SiO₂ shell, and the size of the particles was estimated about 30 nm. Compared with the previously reported catalysts, the engineered Fe₃O₄@SiO₂-CT-Co catalyst provided perfect catalytic performance for the Suzuki–Miyaura cross-coupling reaction in water as a green solvent and it was much cheaper in the comparison with the traditional Pd-based catalysts. Importantly, the durability of magnetic nanocatalyst was studied and observed that it is stable under the reaction conditions and could be easily reused for at least six successive cycles without any significant decrease in its catalytic activity.

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A Novel Scheme for Calculating Pressure Fluctuations Used in Lagrangian-Eulerian Particulate Dispersion Codes

A novel scheme for pressure fluctuations in turbulent flows is developed. The pressure fluctuations are sensitive parameter in some of the fluid phenomena. In the computational methods and modeling turbulence flow, the pressure fluctuations are eliminated after averaging of the Navier-Stokes equations, and only average pressure could be calculated. In this research, the Reynolds-averaged Navier-Stokes equations are computed using SIMPLE method. The Reynolds stress transport model (RSTM) is used to determine the Reynolds stresses and the flow details. The velocity fluctuations are simulated using the Kraichnan model. The Poisson equation for the pressure fluctuations is obtained by taking the divergence of the incompressible momentum equation and algebraic operations, and this equation is numerically solved by finite difference method. The effects of Reynolds number on the pressure fluctuations are studied.     

Mechanism of 1,3-dipolar cycloaddition reactions of indan-1-one enamines with aryl nitrile oxide: a DFT analysis

The mechanism (regioselectivity) of [3+2] cycloaddition reaction of indan-1-one enamines (1ad–1ce) with aryl nitrile oxide (2) has been investigated by density functional theory-based reactivity indices and activation energy calculations at B3LYP/6-31G(d) level of theory in the gas phase. Thermodynamic and kinetic parameters of the possible 3-regio/4-regio regioisomeric pathways have been determined. In all cases, the 3-regio pathways are more favorable compared to the 4-regio alternatives. Our results show that these cycloadditions follow an asynchronous one-step mechanism with a nonpolar character. Theoretical data are in good agreement with the experimental results.     

Wavelet–fractal approach to surface characterization of nanocrystalline ITO thin films

In this study, indium tin oxide (ITO) thin films were prepared by electron beam deposition method on glass substrates at room temperature (RT). Surface morphology characterization of ITO thin films, before and after annealing at 500 °C, were investigated by analyzing the surface profile of atomic force microscopy (AFM) images using wavelet transform formalism. The wavelet coefficients related to the thin film surface profiles have been calculated, and then roughness exponent (α) of the films has been estimated using the scalegram method. The results reveal that the surface profiles of the films before and after annealing process have self-affine nature.     

Preconcentration and Separation of Trace Amounts of Strontium Ions from Alkali and Alkaline Earth Metal Ions Using Octadecyl Silica Membrane Disks Modified with Decyl-18-Crown-6 and Its Determination by Flame Atomic Absorption Spectrometry

 A simple and reliable method for rapid and selective separation of trace amounts of Sr²⁺ ions from alkali and alkaline earth metal ions by using octadecyl silica membrane disks modified with decyl- 18-crown-6 in the presence of 1.0 × 10⁻³ M picric acid is presented. The influence of picric acid concentration, flow rates and nature and amount of the stripping acid have been investigated. Maximum capacity of the membrane disks modified with 10 mg of the macrocycle was found to be 484 μg of Sr²⁺ ions. The proposed method permitted enrichment factors of about 80 and higher. The limit of detection of the proposed method is 1.5 μg per 1000 ml. The method was successfully applied to the recovery of Sr²⁺ ions from different synthetic and water samples. Received August 10, 2000. Revision April 17, 2001.     

Solid phase extraction and determination of lead in soil and water samples using octadecyl silica membrane disks modified by bis[1-hydroxy-9,10-anthraquinone-2-methyl]sulfide and flame atomic absorption spectrometry

A simple, reliable and relatively fast method has been developed to selectively separate and concentrate trace amounts of lead from aqueous samples for the measurement by flame atomic absorption spectrometry. By the passage of aqueous samples through an octadecyl-bonded silica membrane disk modified by a recently synthesized bis(anthraquinone)sulfide, Pb(2+) ions adsorb quantitatively and almost all matrix elements will pass through the disk to drain. The retained lead ions are then stripped from the disk by minimal amount of acetic acid as eluent. The proposed method permitted large enrichment factors of about 300 and higher. The limit of detection of the proposed method is 50 ng Pb(2+) per 1000 ml. The effects of various cationic interferences on the recovery of lead in binary mixtures were studied. The method was successfully applied to the determination of lead in soil and water samples.     

Multimodal freight transportation planning: A literature review

Multimodal transportation offers an advanced platform for more efficient, reliable, flexible, and sustainable freight transportation. Planning such a complicated system provides interesting areas in Operations Research. This paper presents a structured overview of the multimodal transportation literature from 2005 onward. We focus on the traditional strategic, tactical, and operational levels of planning, where we present the relevant models and their developed solution techniques. We conclude our review paper with an outlook to future research directions.     

Multifractal analysis of ITO thin films prepared by electron beam deposition method

In this work, we developed the multifractality and its formalism to investigate the surface topographies of ITO thin films prepared by electron beam deposition method for various annealing temperatures from their atomic force microscopy (AFM) images. Multifractal analysis shows that the spectrum width, Δα (Δα = α_max − α_min), of the multifractal spectra, f(α), can be used to characterize the surface roughness of the ITO films quantitatively. Also, it is found that the f(α) shapes of the as-deposited and annealed films remained left hooked (that is Δf = f(α_min) − f(α_max) > 0), and falls within the range 0.149-0.677 depending upon the annealing temperatures.     

Effect of active screen plasma nitriding pretreatment on wear behavior of TiN coating deposited by PACVD technique

Titanium based alloys are used extensively for improving wear properties of different parts due to their high hardness contents. Titanium nitride (TiN) is among these coatings which can be deposited on surface using various techniques such as CVD, PVD and PACVD. Their weak interface with substrate is one major drawback which can increase the total wear in spite of favorite wear behavior of TiN. Disc shaped samples from AISI H13 (DIN 1.2344) steel were prepared in this study. Single TiN coating was deposited on some of them while others have experienced a TiN deposition by active screen plasma nitriding (ASPN). Hardness at the surface and depth of samples was measured through Vickers micro hardness test which revealed 1810 Hv hardness as the maximum values for a dual-layered ASPN–TiN. Pin-on-disc wear test was done in order to study the wear mechanism. In this regard, the wear behavior of samples was investigated against pins from 100Cr6 (Din 1.3505) bearing steel and tungsten carbide–cobalt (WC–Co) steel. It was evidenced that the dual-layer ASPN–TiN coating has shown the least weight loss with the best wearing behavior because of its high hardness values, stable interface and acceptable resistance against peeling during wearing period.     

Solid phase extraction of ultra-trace amounts of Ag+ by using octadecyl silica membrane disks modified with a new fulvalen derivative.

A simple method for the rapid extraction and determination of ultra-trace amounts of Ag+ ions using octadecyl-bonded silica membrane disks modified with a recently synthesized fulvalen (tetramethyltetrathiafulvalen) (TMTTF) and graphite furnace atomic absorption spectrometry is presented. The extraction efficiency and influence of the flow rate, pH, nature of the counter ion and type and the least amount of eluent for the stripping of Ag+ from disks and breakthrough volume were evaluated. The maximum capacity of the membrane disks modified by 5 mg of TMTTF used was found to be 482 +/- 6 micrograms Ag+. The detection limit of the proposed method is 1.0 ng/dm3. The method was applied to the recovery of Ag+ ions from different synthetic and water samples.