Synthesis of Novel 4-Fluoro-2H-pyrazol-3-ylamines

A new and efficient synthesis for the preparation of novel 4-fluoro-2H-pyrazol-3-ylamines is described. It involves the reaction of an acyl chloride with fluoroacetonitrile and sequential ring closure of the α-fluoro-β-ketonitrile with hydrazine. Utilizing this synthetic protocol, we have synthesized a variety of 4-fluoro-2H-pyrazol-3-ylamines with different steric and electronic demands.     

Synthesis of highly N-substituted indole library via conjugate additions of indoline and their synthetic tool potentials

A comprehensive library of N- or 1-substituted indoles was formed by conjugate additions of indoline with Michael acceptors followed by an oxidation step. Using N-substituted indoles as key Michael donors, the synthesis of 1,3-disubstituted indoles was also accomplished.     

Effect of monomer-treated inorganic fillers on mechanical,rheological, and thermal properties of LLDPE nanocomposites

This article discusses the role of nanoscale calcium carbonate (nCC) surface treatment in affecting the mechanical, rheological, and thermal properties of linear low-density polyethylene (LLDPE). The mechanical tests indicated that nCC could simultaneously reinforce and toughen LLDPE. In addition, the composite sample with methacrylic acid (MA)-treated nanoparticles shows further increased mechanical properties as compared to unmodified nanoparticles. In the presence of dicumyl peroxide (DCP), a small amount of MA could increase markedly the mechanical properties of LLDPE/nCC composites. The results of rheological property analysis indicated that the viscosity increased with increasing amount of the filler, especially at low shear rates, but showed a substantial reduction with increasing concentration of the reactive monomer. The thermal behavior of these materials is evaluated by differential scanning calorimetry and thermogravimetric analysis. The addition of a small amount of MA and DCP enhances the stabilization of the blends.     

Bose-Einstein condensate in a harmonic trap with an eccentric dimple potential

We investigate Bose-Einstein condensation of noninteracting gases in a harmonic trap with an offcenter dimple potential. We specifically consider the case of a tight and deep dimple potential, which is modeled by a point interaction. This point interaction is represented by a Dirac delta function. The atomic density, chemical potential, critical temperature and condensate fraction, and the role of the relative depth and the position of the dimple potential are analyzed by performing numerical calculations.     

Rotation barriers in N-substituted 2,4,6-trimethylpyridinium cations

The α-methyl and β-protons in ¹H-NMR spectra, the α-methyl, α-ring, and β-ring carbons in ¹³C-NMR spectra of N-substituted 2,4,6-trimethylpyridinium salts III are anisochronous. Dynamic NMR spectroscopy affords appreciably higher activation enthalpies ΔG≠ for rotation around the N(sp²)C(sp³) bond than ΔG≠ for the analogously substituted mesityl derivatives, in agreement with the shorter $\text{N}\text{+}$C than the CC bond.     

Vibrational assignment of aluminum(III) tris-acetylacetone

The geometry, frequency and intensity of the vibrational bands of aluminum(III) Tris-acetylacetone Al(AA)3 and its 1,3,5-(13)C derivative were obtained by the Hartree-Fock (HF) and Density Functional Theory (DFT) with the B3LYP, B1LYP, and G96LYP functionals and using the 6-31G* basis set. The calculated frequencies are compared with the solid IR and Raman spectra. All of the measured IR and Raman bands were interpreted in terms of the calculated vibrational modes. Most computed bands are predicted to be at higher wavenumbers than the experimental bands. The calculated bond lengths and bond angles are in good agreement with the experimental results. Analysis of the vibrational spectra indicates a strong coupling between the chelated ring modes. Four bands in the 500-390 cm(-1) frequency range are assigned to the vibrations of metal-ligand bonds.     

Heat transfer due to impinging co-axial jets and the jets’ fluid flow characteristics

This investigation had multiple goals. One goal was to obtain definitive information about the heat transfer characteristics of co-axial impinging jets, and this was achieved by measurements of the stagnation-point, surface-distribution and average heat transfer coefficients. These results are parameterized by the Reynolds number Re which ranged from 5000 to 25,000, the dimensionless separation distance between the jet exit and the impingement plate H/D (4–12), and the ratio of the inner diameters of the inner and outer pipes d/D (0–0.55). The d/D = 0 case corresponds to a single circular jet. The other major goal of this work was to quantify the velocity field of co-axial free jets (impingement plate removed). The velocity-field study included both measurements of the mean velocity and the turbulence intensity.It was found that the variation of the stagnation-point heat transfer coefficient with d/D attained a maximum at d/D = 0.55. Furthermore, the variation of the local heat transfer coefficient across the impingement surface was more peaked for d/D = 0 and became flatter with decreasing d/D. This suggests that for cooling a broad expanse of surface, co-axial jets of high d/D are preferable. On the other hand, for localized cooling, the single jet (d/D = 0) performed the best. In general, for a given Reynolds number, a co-axial jet yields higher heat transfer coefficients than a single jet. Off-axis velocity peaks were encountered for the jets with d/D = 0.105. The measurements of turbulence intensity yielded values as high as 18%.     

Asymptotic Iteration Method for Energies of Inversely Linear Potential with Spatially Dependent Mass

The bound-state solution of the position dependent mass Klein-Gordon equation including inversely linear potential is obtained within the framework of the asymptotic iteration method. The relation between the scalar and vector potentials is considered to S（x） = V（x）（β - 1）. In particular, it is shown that the corresponding method exactly reproduces the spectrum of linearly inversely potentials with spatially dependent mass.