Theoretical investigation of the weak interactions of rare gas atoms with silver clusters by resonance Raman spectroscopy modeling

The interactions of rare gas atoms (Rg = Ar, Kr, and Xe) with small neutral and cationic silver clusters have been investigated by density functional methods and the effect of these weak interactions on the resonance Raman spectra of the complexes has been evaluated. The resonance Raman technique that depends on the properties of ground and excited state, seems deeply sensitive to the weak rare gas–metal cluster interactions, and the use of inert gases has been proven to be an excellent approach to recognize the ability of this technique to detect extremely weak interactions. In this work, for , and complexes the IR, normal and resonance Raman spectra have been calculated and the effect of rare gas–cluster stretching vibration ( ) on the pattern and the relative intensities of different spectra have been investigated. The resonance Raman spectra for the weakly interacted complexes (with the interaction energies less than ?2.0 kcal/mol) exhibit the vibration with the detectable intensity that its intensity increases by going from Ag₆–Ar to Ag₆–Xe complex. Moreover, the resonance Raman spectra (based on the excited state gradient approximation) for high intensity nearly degenerate excited states, proved the effect of accumulation of the excited state charge density on the relative intensity of vibration.     

Synthesis of 2-arylbenzimidazoles catalyzed by transition metal nitrates

A simple and practical procedure for synthesis of 2-arylbenzimidazoles by a one-pot condensation of o-phenylenediamine with aromatic aldehydes in the presence of a catalytic amount of M(NO₃)₂·6H₂O (M = Mn, Fe, Co, Ni, Cu) in ethanol at room temperature is described. Major advantages of this practical procedure are use of a readily available catalyst, high yields, short reaction times, and simplicity of the reaction and workup.     

Microwave‐Assisted Catalyst Free Three Component Synthesis of Mono and Bis Spiro Pyrazolopyridines in Solvent Free Reaction

Multicomponent synthesis of mono and bis‐spiro pyrazolopyridines from isatin derivatives, indanedione, and 3‐methyl‐5‐aminopyrazole under microwave irradiation in the absence of any catalyst or solvent with high yield and short reaction time is reported.     

Observation and assignment of phonon combination bands in the far infrared dielectric response of GaAs

A determination by dispersive Fourier transform spectroscopy of the frequency dependence of the anharmonic self-energy of the q??O transverse optic phonon in GaAs at 300 and 6 K is presented. The measured self-energy function is compared with the two-phonon density of states function calculated from an 11-parameter rigid ion model, and the model is found to account satisfactorily for all features in the measured spectrum as phonon combination bands.     

Nuclear structure of 47Sc: (I). Gamma-ray correlations and lifetime measurements

Levels of ⁴⁷Sc below an excitation energy of 2.7 MeV have been investigated through the ⁴⁴Ca(α, pγ)⁴⁷Sc reaction. Gamma-ray spectra in coincidence with protons were recorded with a Ge(Li) detector positioned at several angles and at α-energies of 10.15 and 11.00 MeV. Level positions, lifetimes, decay modes and spin values were deduced from these measurements. This study was supplemented by a γ-γ coincidence measurement. The electromagnetic properties for the negative parity states are compared with intermediate coupling predictions. A classification of the positive parity states into several rotational bands is proposed.     

Numerical investigation of the magnetic field effect on the heat transfer and fluid flow of ferrofluid inside helical tube

The effect of a magnetic field on heat and fluid flow of ferrofluid in a helical tube is studied numerically. The helical tube is under constant wall temperature boundary condition. Parametric studies are done to investigate the effects of different factors such as the magnetic field gradient value and Reynolds number on heat transfer rate and pressure drop. Results indicate that the magnetic field increases the Nusselt number by about 40%. At high magnetic gradient value, Nusselt number and friction factor rise slightly, while at low magnetic gradient value, the increment of Nusselt number is considerable. Furthermore, the growth of wall shear stress on tube wall results in lower thermal–hydraulic performance at the high magnetic gradient value. There is an optimum case for thermal–hydraulic performance which results in most top performance of helical tube in the presence of the magnetic field.

     

Using magnetic core‐shell nanoparticles coated with an ionic liquid dispersion assisted by effervescence powder for the micro‐solid‐phase extraction of four beta blockers from human plasma by ultra high performance liquid chromatography with mass spectrometry detection

In this work, a novel, efficient, and green sorbent, SiO₂@Fe₃O₄ has been created and functionalized with 1‐butyl‐3‐methylimidazolium hexafluorophosphate as an ionic liquid. This sorbent was applied for microextraction of four beta blockers, propranolol, metoprolol, atenolol, and alprenolol with bupivacaine as internal standard from human plasma followed by liquid chromatography with mass spectrometric detection. A mixture of sodium bicarbonate and sodium dihydrogen phosphate was used as an extractant dispersive agent (effervescent power) to enhance the interaction between the magnetic sorbent and analytes. Main affecting parameters on microextraction and elution were optimized. Figures of merit for dispersive solid phase extraction with ionic liquid coated magnetic nanoparticles assisted by effervescent powder were calculated under the optimized conditions. The detection limits for propranolol, metoprolol, atenolol, and alprenolol were found at 0.33, 0.62, 0.03, and 0.44 ng/mL, respectively. For all analytes, good linearity was obtained. Intra‐ (n = 5) and interday (n = 10) precision were both under 6.3% while the preconcentration factors were obtained in the range between 15–18. The extraction efficiencies for each analyte ranged from 75 to 91%. The method was successfully applied for determination of trace amounts of the beta blockers in human plasma samples.     

β-Cyclodextrin-grafted magnetic graphene oxide nanocomposites in ultrasound-assisted dispersive magnetic solid-phase extraction for simultaneous preconcentration of lead and cadmium ions

Research on Chemical Intermediates - This article presents an ultrasound-assisted dispersive magnetic solid-phase extraction method (USA-DMSPE) to preconcentration Cd(II) and Pb(II) simultaneously....