Green synthesis of the 1-substituted 1H-1, 2, 3, 4-tetrazoles over bifunctional catalyst based on copper intercalated into Mg/Al hydrotalcite modified magnetite nanoparticles

An effective one-pot, convenient process for the synthesis of 1- substituted 1H-tetrazoles from triethyl orthoformate, amines, and sodium azide is described using copper (II) doped and immobilized on functionalized magnetic hydrotalcite (Fe₃O₄/HT-NH₂ Cu^II) as a novel recyclable catalyst. The application of this catalyst allows the synthesis of a variety of tetrazoles in good to excellent yields in water. The new catalyst was characterized using Fourier transform infrared (FT-IR) spectroscopy, X-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), thermogravimetric analysis (TGA), vibration sample magnetometry (VSM) and inductively coupled plasma analysis (ICP-OES). This new procedure offers several advantages such as short operational simplicity, practicability, and applicability to various substrates and the absence of any tedious workup or purification. The loading amount of Cu^II (doped and immobilized) on functionalized magnetic hydrotalcite was indicated to be 4.66 mmol g⁻¹, obtained from the ICP-OES analysis. Also, the excellent catalytic performance, thermal stability, and separation of the catalyst make it an excellent heterogeneous system and a useful alternative to other heterogeneous catalysts. Also, the catalyst could be magnetically separated and reused six times without significant loss of catalytic activity.     

Distinguishing and quantification of the human visual pathways using high-spatial-resolution diffusion tensor tractography

Quantification of the living human visual system using MRI methods has been challenging, but several applications demand a reliable and time-efficient data acquisition protocol. In this study, we demonstrate the utility of high-spatial-resolution diffusion tensor fiber tractography (DTT) in reconstructing and quantifying the human visual pathways. Five healthy males, age range 24–37 years, were studied after approval of the institutional review board (IRB) at The University of Texas Health Science Center at Houston. We acquired diffusion tensor imaging (DTI) data with 1-mm slice thickness on a 3.0-Tesla clinical MRI scanner and analyzed the data using DTT with the fiber assignment by continuous tractography (FACT) algorithm. By utilizing the high-spatial-resolution DTI protocol with FACT algorithm, we were able to reconstruct and quantify bilateral optic pathways including the optic chiasm, optic tract, optic radiations free of contamination from neighboring white matter tracts.     

A comparison of the inclusion behavior of human serum albumin and holo transferrin with fluoxymesterone in the presence of three different cyclodextrins

This article describes the interaction of fluoxymesterone (Flu) with HSA and HTF in the absence and presence of cyclodextrins (CDs) (α, β and γ). According to fluorescence data, the binding of Flu to the proteins caused strong static quenching in the binary and ternary systems. The fluorescence quenching results demonstrated that HSA and HTF had two and one class of apparent binding sites with a distinct binding constant in the presence of the CDs, respectively. The effects of Flu on the structure of HSA and HTF were analyzed using synchronous fluorescence spectroscopy, which showed that the interaction of Flu with both proteins in the binary and ternary systems altered the microenvironment around the Trp and Tyr residues. The distance, r, between Flu and the proteins was obtained according to FRET which pointed at a successful formation of a drug-protein complex. Far-UV CD spectra indicated that the binding of the drug to both proteins induced changes in the secondary structure of HSA and HTF in the binary and ternary systems. Finally, molecular modeling provided possible binding sites of Flu within the proteins for the binary and ternary systems and also confirmed the experimental results. The obtained data can be useful for determining usage drug doses in drug delivery.     

HMDS/KI a simple,a cheap and efficient catalyst for the one-pot synthesis of N-functionalized pyrimidines

The syntheses of N-Alkylpyrimidine derivatives by reacting pyrimidin-2,4-diones with appropriate alkyl halide under microwave irradiation at 400?W were compared to the conventional synthesis route. These methodologies are regioselective and compatible with numerous substrates and furnish the corresponding N-alkylpyrimidines in good yields using a cheap catalyst HMDS/KI in MeCN. A comparison study between these two different modes of heating was investigated.     

Relationship of nanostructure and thermo-chemical response/thermal ablation of carbon aerogels

In this work, the interfacial mass balance relations combined with the non-parametric kinetic (NPK) analysis results were used for evaluating the thermo-chemical ablation process and oxidation mechanism of carbon aerogels with various porous structure. It was found that the two-parameter model of Nomen–Sempereis was able to describe the kinetics of the oxidation reaction and to reveal the structure-dependent contribution of two main processes with chemical and physical nature. The porosity of the carbon aerogel, rather than the other microstructural features, was realized more effective on the rate of ablation.     

Silver,iron, and nickel immobilized on hydroxyapatite‐core‐shell γ‐Fe2O3 MNPs catalyzed one‐pot five‐component reactions for the synthesis of tetrahydropyridines by tandem condensation of amines,aldehydes, and methyl acetoacetate

In this study, Ag, Ni²⁺, and Fe²⁺ immobilized on hydroxyapatite‐core‐shell γ‐Fe₂O₃ nanoparticles (γ‐Fe₂O₃@HAp‐Ag, γ‐Fe₂O₃@HAp‐Ni²⁺, and γ‐Fe₂O₃@HAp‐Fe²⁺) as a new and reusable Lewis acid magnetic nanocatalyst was successfully synthesized and reported for an atom economic, extremely facile, and environmentally benign procedure for the synthesis of highly functionalized tetrahydropyridines derivatives 4a‐t is described by one‐pot five‐component reaction of 2 equiv of aldehydes 1 , 2 equiv of amines 2 , and 1 equiv of methyl acetoacetate 3 in EtOH at room temperature in good to high yields and short reaction time. The presented methodology offers several advantages such as easy work‐up procedure, reusability of the magnetic nanocatalyst, operational simplicity, green synthesis avoiding toxic reagents and solvent, mild reaction conditions, and no tedious column chromatographic separation.     

Do we know the mass of a black hole? Mass of some cosmological black hole models

Using a cosmological black hole model proposed recently, we have calculated the quasi-local mass of a collapsing structure within a cosmological setting due to different definitions put forward in the last decades to see how similar or different they are. It has been shown that the mass within the horizon follows the familiar Brown–York behavior. It increases, however, outside the horizon again after a short decrease, in contrast to the Schwarzschild case. Further away, near the void, outside the collapsed region, and where the density reaches the background minimum, all the mass definitions roughly coincide. They differ, however, substantially far from it. Generically, we are faced with three different Brown–York mass maxima: near the horizon, around the void between the overdensity region and the background, and another at cosmological distances corresponding to the cosmological horizon. While the latter two maxima are always present, the horizon mass maxima is absent before the onset of the central singularity.     

Simulation of viscoelastic fluids in a 2D abrupt contraction by spectral element method

This study presents the vortex structure and numerical instability increase occurring when the level of elasticity is enhanced in inertial flows in planar contraction configuration for finitely extensible nonlinear elastic model by Peterlin (FENE‐P) fluid 1 . The re‐entrant corner effect on corner vortices is also considered. The calculations are performed using extended matrix logarithm formulation described in a previous paper: A. Jafari et al. A new extended matrix logarithm formulation for the simulation of viscoelastic fluids by spectral elements. Computer & Fluids 2010; 39 (9):1425–1438. In that reference, the proposed algorithm has been tested for simple geometry such as Poiseuille flow. In this study, we are interested in the capability of this algorithm for more complex geometry. This formulation helps to reach higher values of the Weissenberg number when compared with the classical one. Copyright © 2015 John Wiley & Sons, Ltd.