Nuclear-Electron Overhauser Effect in MC800 Liquid Asphalt Solutions

Experimental results on the extrapolated ultimate enhancement factors of o-, m-, and p-xylene protons at 1.53 mT are obtained for MC800 asphalt solutions. The ultimate enhancement factors are found such as ?26.9, ?25.7, and ?11.7 for o-, m-, and p-xylene, respectively. These results show that the solvent proton Overhauser effect cannot reach the extrapolated enhancement of ?330 in the extreme narrowing case because of occurrence of small scalar interactions in addition to the dipole–dipole interactions between solvent protons and asphalt electrons. The ortho, meta, and para positions of the –CH₃ group change the nature of the interactions. The nuclear magnetic resonance (NMR) signal enhancements exhibit a sensitive behavior depending on the chemical environment differing from isomer to isomer. The solvation or association of asphalt in xylene isomers at room temperature is revealed. Quantum chemical calculations for the xylene isomers with the electronic and optical properties; absorption wavelengths, excitation energy, atomic charges, dipole moment and frontier molecular orbital energies, molecular electrostatic potential; are carried out using the density functional theory (DFT) method (B3LYP) with the 6-311G(d,p) basis set by the standard Gaussian 09 software package program. The relative importance of scalar and translational dipolar interaction parameters determined in dynamic nuclear polarization experiments is explained by the electronic structure of HOMO–LUMO of the xylene isomers.     

Photopyroelectric spectroscopy of Sb<Subscript>2</Subscript>O<Subscript>3</Subscript> - ZnO ceramics

Photopyroelectric spectroscopy is used to study the band-gap energy of the ceramic (ZnO + xSb₂O₃), x = 0.1 - 1.5 mol% and the ceramic (ZnO + 0.4 mol%  Bi₂O₃ + xSb₂O₃), x = 0 - 1.5 mol% sintered at isothermal temperature, 1280 °C, for 1 and 2 hours. The wavelength of incident light, modulated at 9 Hz, is kept in the visible range and the photopyroelectric spectrum with reference to doping level is discussed. The band-gap energy is reduced from 3.2 eV, for pure ZnO, to 2.86, 2.83 eV for the samples without Bi₂O₃at 0.1 mol% of Sb₂O₃ for 1 and 2 hours of sintering time, respectively. It is reduced to 2.83, 2.80 eV for the samples with Bi₂O₃ at 0 mol% of Sb₂O₃ for 1 and 2 hours of sintering time, respectively. The steepness factor σ_A which characterizes the slop of exponential optical absorption is discussed with reference to the doping level. The phase constitution is determined by XRD analysis; microstructure and compositional analysis of the selected areas are analyzed using SEM and EDX.     

Copper(II) complexes with pyridine-2,6-dicarboxylic acid from the oxidation of copper(I) iodide

Via an oxidation reaction of Cu(I) iodide with pyridine-2,6-dicarboxylic acid (H₂L) in DMF three copper(II) complexes, [(CH₃)₂NH₂]₂[CuL₂] (1), K₂[CuL₂]?H₂L?H₂O (2) and [Cu(L)(H₂O)]_n (3), were synthesized and characterized. The structures of 1–3 were determined by single crystal X-ray diffraction studies. In-situ DMF decomposition produces dimethylamine base under solvothermal conditions and a proton transfer reaction takes place for the complex formation of 1. 3-D networks are stabilized in 1 and 2 via hydrogen bonds. Complex 3 is a 1-D coordination polymer with Cu-O semi-coordination bonds. Thermal decomposition of the complexes results in the corresponding metal oxides. Also, the electrochemical behavior of 1 was determined to be a metal-centered and diffusion-controlled, one-electron reduction process.     

Novel and Stereospecific Synthesis of (2S)‐3‐(2,4,5‐Trifluorophenyl)propane‐1,2‐diol from D‐Mannitol

A stereospecific synthesis of (2S)‐3‐(2,4,5‐trifluorophenyl)propane‐1,2‐diol from D ‐mannitol has been developed. The reaction of 2,3‐O‐isopropylidene‐D ‐glyceraldehyde with 2,4,5‐trifluorophenylmagnesium bromide gave [(4R)‐2,2‐dimethyl‐1,3‐dioxolan‐4‐yl](2,4,5‐trifluorophenyl)methanol in 65% yield as a mixture of diastereoisomers (1 : 1). The Ph₃P catalyzed reaction of the latter with C₂Cl₆ followed by reduction with Pd/C‐catalyzed hydrogenation gave (2S)‐3‐(2,4,5‐trifluorophenyl)propane‐1,2‐diol with >99% ee and 65% yield.     

Elastic and viscoelastic properties of sugarcane bagasse-filled poly(vinyl chloride) composites

Elastic and viscoelastic properties of sugarcane bagasse-filled poly(vinyl chloride) were determined by means of three-point bending flexural tests and dynamic mechanical and thermal analysis. The elastic modulus, storage modulus, loss modulus, and damping parameter of the composites at fibre contents of 10, 20, 30, and 40% in mass were determined, as well as those of the unfilled matrix. There was a correlation between the elastic modulus and storage modulus of the composites. Moreover, the elastic and viscoelastic properties of the composites were highly influenced by fibre content.     

The Binomial-Discrete Poisson-Lindley Model:Modeling and Applications to Count Regression

On the basis of a well-established binomial structure and the so-called Poisson-Lindley distribution,a new two-parameter discrete distribution is introduced.Its...     

Applications of Quantitative Techniques in Large and Small Organizations in the United States: An Empirical Analysis

Data was gathered from Fortune 500 companies (manufacturing and service organizations) and 500 small firms pertaining to the use of several quantitative techniques. Analysis was also done to see if differences existed within different classes of service companies. Also, respondents were asked for their opinion pertaining to specific barriers that may inhibit the use of these techniques. Results show little progress has been made in the applications of quantitative techniques in the last decade. The barriers cited by respondents are mostly related to management's lack of knowledge of quantitative techniques. Findings agree with previous studies conducted.     

Effect of concentration and particle size on nonlinearity of Au nano-fluid prepared by γ (Co) radiation

Nonlinear properties of Au nano-fluid prepared by γ-radiation method at different concentrations were investigated. Measurements of nonlinear refractive index and nonlinear absorption coefficient were carried out using a single beam Z-scan technique. A green CW laser beam operated at 532 nm was used as excitation source. The Au nano-fluid shows a good third order nonlinear response. The sign of the nonlinear refractive index is found to be negative and the magnitude is in the order of 10⁻⁷ cm²/W. This nonlinear effect increases as the concentration increases from 3.119 × 10⁻⁴ to 2.354 × 10⁻³ M which correspond to particle sizes of 4.0-30.5 nm, respectively. A good linear relationship was obtained between nonlinear refractive index and concentration. However the relationship between nonlinear refractive index and particle size was nonlinear behavior.     

Drug–DNA interaction: A theoretical study on the binding of thionine with DNAs of varying base composition

The recent studies carried out on the binding of small molecule to deoxyribonucleic acids suggested that the intercalation of a tricyclic heteroaromatic molecule, thionine, with natural DNAs provided thermal stabilization to the DNA complex. In the present study, we reported theoretical analysis of thionine binding with natural DNAs of varying base composition by using an amended Zimm and Bragg theory, to explain the melting behaviour and heat capacity of DNAs with and without thionine binding. We used experimental models of Paul et al. for implementing this study (Paul et al., 2010). The sharpness of transition has been examined in terms of half width and sensitivity parameter (ΔH/σ). The results of theoretical analysis concluded that the various parameters such as heat capacity curve, transition profile, half widths and sharpness of the transition are in good agreement with the experimental measurements for binding of thionine determined through DSC. The theoretical analysis proposed in this study, therefore, may be useful to understand interaction of small molecules with deoxyribonucleic acids. This approach may also be applied to design DNA binding therapeutic molecules and in the process of drug formulation and development.     

Dynamic magnetic properties of the kinetic cylindrical Ising nanotube

The nature (time variation) of response magnetizations m(wt) of the kinetic cylindrical Ising nanotube in the presence of a periodically varying external magnetic field h(wt) is studied by employing the effective-field theory (EFT) with correlations as well as the Glauber-type stochastic dynamics. We have determined the time variations of m(wt) and h(wt) for various temperatures, and investigated the dynamic magnetic hysteresis behavior. Temperature dependence of the dynamic magnetizations, hysteresis loop areas and correlations are investigated in order to characterize the nature (first- or second-order) of the dynamic transitions as well as to obtain the dynamic phase transition temperatures. We also present the dynamic phase diagrams in the three different planes and compare the results of the equilibrium and nonequilibrium states. The phase diagrams exhibit dynamic tricritical, isolated critical, multicritical and triple points. The results are in good agreement with some experimental and theoretical results.