An Alternative Approach to the Extraction of Structure Functions in Deep Inelastic e-p Scattering at 5 to 20 GeV

Two structure functions W1(x,Q2) and W2(x,Q2) are determined by using the cross sections measured in the deep inelastic electron-proton scattering experiments at Stanford Linac in the energy range of 5 to 20 GeV. In this paper an alternative mathematical approach have been used in such determination, resulting in a larger number of points in the graphs of the structure functions.     

Temperature dependence of pressure broadening of NH3 perturbed by H2 and N2

The temperature dependence of pressure broadening of 134 rovibrational transitions of several branches in the ν₄ and 2ν₂ bands of ammonia perturbed by H₂ and N₂ has been measured using a high-resolution Fourier transform spectrometer. The temperature range covered during the experiments was between 235 and 296 K. The pressure-broadening linewidths were obtained using the method of multipressure fitting to the measured shapes of the lines. These broadenings were also calculated using a semiclassical model leading to a reasonable agreement with the observations and reproduces well the strong systematic experimental J and K quantum number dependencies. The retrieved values of the linewidths, along with those previously determined from the spectra at room temperature, were used to derive the temperature dependence of both H₂ and N₂ broadening of NH₃ lines. The broadening coefficients were shown to fit closely the well-known exponential law. For both experimental and theoretical results, the temperature exponent n has been obtained. Careful inspection of the experimental values shows that, contrary to the linewidths, the coefficient n is nearly K independent within each J multiplet. Also for a given J it does not seem to exhibit any noticeable variation with the type of rotational transition. On the other hand, the calculated n values exhibit a strong J and K systematic dependencies. n increases with K for a given J, decreases with J for a given K and are independent of the type of rotational transition.     

Synthesis,characterization, X-ray structural analysis and study of oxidative properties of propyltriphenylphosphonium bromochromate

The complex of propyltriphenylphosphonium bromochromate(VI), PrPh₃P[CrO₃Br] is easily synthesized in nearly quantitative yield using a direct reaction of chromium(VI) oxide and propyltriphenylphosphonium bromide. This compound is a versatile reagent for the efficient and selective oxidation of organic substrates, in particular for alcohols to their corresponding aldehydes or ketones, under mild conditions. This compound was characterized by IR, UV/Visible, ¹³C-n.m.r. and ¹H-n.m.r. techniques. It crystallized in the monoclinic form and its crystal and molecular structure have been determined by X-ray crystallography.     

Multigrid solution of the Poisson—Boltzmann equation

A multigrid method is presented for the numerical solution of the linearized Poisson–Boltzmann equation arising in molecular biophysics. The equation is discretized with the finite volume method, and the numerical solution of the discrete equations is accomplished with multiple grid techniques originally developed for twodimensional interface problems occurring in reactor physics. A detailed analysis of the resulting method is presented for several computer architectures, including comparisons to diagonally scaled CG, ICCG, vectorized ICCG and MICCG, and to SOR provided with an optimal relaxation parameter. Our results indicate that the multigrid method is superior to the preconditioned CG methods and SOR and that the advantage of multigrid grows with the problem size. © 1993 John Wiley & Sons, Inc.     

Structural investigation of 3,5‐disubstituted isoxazoles by 1H‐nuclear magnetic resonance

HIV‐1 integrase (IN) is a very promising and validated target for the development of therapeutic agents against AIDS. In an effort to design and synthesize biological isosteric analogs of β‐diketoacid‐containing inhibitors of IN, we prepared a series of substituted isoxazole carboxylic acids. Several of these compounds inhibited catalytic activities of purified IN at micromolar concentration range. With an aim to prepare a large number of analogues based on the isoxazole pharmacophore we focused our study on a series of 3,5‐disubstituted isoxazole isomers. For a rapid structural analysis we discovered a convenient ¹H‐nmr method for distinguishing between isomeric structures based on their H‐4 assignments. This “finger print” approach to isomer identification will be useful in combinatorial chemistry settings where a mixture can be further derivatized.     

An endor and ESR study of the radical cation of N,N′-bis-(4-fluorophenyl)-4,4′-bipyridylium dichloride

The ESR and ENDOR spectra of the radical cation of N,N′-bis-(4-fluoro-phenyl)-4-4′-bipyridylium dichloride (fluorophenylquat FPQ) in methanol was studied over a temperature range from +_40° to ?90°. The ENDOR technique was used to obtain accurately the splitting constans for a highly complicated ESR spectrum and computer simulation showed excellent agreement. Fluorine ENDOR resonance was clearly observed with a line width similar to that of the protons. On decreasing the temperature the concentration of the radical cation decreases until at ?90° the ESR intensity was very small. This process is reversible and concentration studies indicate that the radical cation is in equilibrium with a diamagnetic dimer species. The thermodynamic parameters ΔH°, ΔG° and ΔS° for the process are reported.     

Adsorption of p-Nitrophenol in Untreated and Treated Activated Carbon

The adsorption of p-nitrophenol in one untreated activated carbon (F100) and three treated activated carbons (H₂, H₂SO₄ and Urea treated F100) was carried out at undissociated and dissociated conditions.To characterize the carbon, N₂ and CO₂ adsorption were used. X-ray Photoelectron Spectroscopy (XPS) was used to analyze the surface of the activated carbon.The experimental isotherms are fitted via the Langmuir homogenous model and Langmuir binary model. Variation of the model parameters with the solution pH is studied. Both Q _max and the adsorption affinity coefficient (K ₁) were dependent on the PZC of the carbons and solution pH. The Effect of pH must be considered due to its combined effects on the carbon surface and on the solute molecules. Adsorption of p-nitrophenol at higher pH was found to be dependent on the concentration of the anionic form of the solute.     

Solvent selection in ultrasonic-assisted emulsification microextraction: Comparison between high- and low-density solvents by means of novel type of extraction vessel

There are numerous published reports about dispersive liquid phase microextraction of the wide range of substances, however, till now no broadly accepted systematic and purpose oriented selection of extraction solvent has been proposed. Most works deal with the optimization of available solvents without adequate pre-consideration of properness. In this study, it is tried to compare the performances of low- and high-density solvents at the same conditions by means of novel type of extraction vessel with head and bottom conical shape. Extraction efficiencies of seven basic pharmaceutical compounds using eighteen common organic solvents were studied in this work. It was much easier to work with high-density solvents and they mostly showed better performances. This work shows that although exact predicting the performance of the solvents is multifaceted case but the pre-consideration of initial selection of solvents with attention to the physiochemical properties of the desired analytes is feasible and promising. Finally, the practicality of the method for extraction from urine and plasma samples was investigated.     

Surface modified SPIONs‐Cr(VI) ions‐immobilized organic‐inorganic hybrid as a magnetically recyclable nanocatalyst for rapid synthesis of polyhydroquinolines under solvent‐free conditions at room temperature

In this work, a magnetic hybrid dichromate nanocomposite with triphenylphosphine surface modified superparamagnetic iron oxide nanoparticles (SPIONs) as a recyclable nanocatalyst was designed, prepared and characterized by Fourier transform infrared spectroscopy (FT‐IR) spectra, X‐ray diffraction (XRD) pattern analysis, vibrating sample magnetometer (VSM) curves, X‐ray fluorescence (XRF) analysis, thermogravimetric analysis (TGA), scanning electron microscopy (SEM) and transmission electron microscopy (TEM) images and dynamic light scattering (DLS) analysis. Then, it was used in a green and efficient procedure for one‐pot multicomponent synthesis of polyhydroquinoline derivatives by the condensation of aldehydes, dimedone or 1,3‐cyclohexadione, ethyl acetoacetate and ammonium acetate. This protocol includes some new and exceptional advantages such as short reaction times, low catalyst loading, high yields, solvent‐free and room temperature conditions, easy separation and reusability of the catalyst.     

A Simple Synthesis of Stable Phosphoranes Derived from Imidazole Derivatives

Stable crystalline phosphorus ylides were obtained in excellent yields from the 1:1:1 addition reaction between triphenylphosphine and dialkyl acetylenedicarboxylates, in the presence of strong NH-acids, such as imidazole, 2-methylimidazole, 4-methylimidazole, 2-ethylimidazole, benzimidazole, and 5,6-dimethylbezimidazole. These stable ylides exist in solution as a mixture of two geometrical isomers as a result of restricted rotation around the carbon–carbon partial double bond resulting from the conjugation of the ylide moiety with the adjacent carbonyl group.