Exploration of the reactivity of N2O5 with two Si(OH)4 monomers using electronic structure methods

The heterogeneous uptake of N₂O₅ on mineral dust particles may play an important role in the removal of nitrogen oxides from the atmosphere. However, the reaction of N₂O₅ with the mineral particles is not well understood. The reaction of N₂O₅ with two Si(OH)₄ monomers is explored using theoretical methods. This study represents a first step towards understanding the interaction of N₂O₅ with the hydroxyl groups of silica particles. Energies are calculated using MP2 single point calculations on the B3LYP optimized geometries and including B3LYP thermodynamic corrections. Four mechanisms are considered for the formation of two HNO₃ and one H₆Si₂O₇. The rate limiting activation barrier of the most favorable path is found to be 12.5 kcal mol^?1. This reaction appears to be more favorable than the hydrolysis of N₂O₅ with one water molecule. These results are in agreement with experimental observations, which show that N₂O₅ reacts with OH groups of Saharan dust to form nitrate. © 2012 Wiley Periodicals, Inc.     

Complexation in two-component chlortetracycline-melanin solutions

The spectra and kinetics of fluorescence of two-component solutions of the chlortetracycline (CHTC)-DOPA-melanin (melanin or ME) system in water have been investigated. The data obtained have been compared to similar data for solutions of CHTC-melanosome from bull eye (MB), which contains natural melanin, in K-phosphate buffer at pH 7.4. The overall results indicate the occurrence of complexation between molecules of CHTC and ME as they are being excited. The studies of complexation in the solution of CHTC-MB in the buffer are complicated by the formation of a CHTC-buffer complex. The effect of optical radiation in the range 330–750 nm on the CHTC-ME complex shows selectivity: the greatest change in the spectrum occurs when the wavelength of the exciting radiation coincides with the long-wavelength band maximum of the fluorescence excitation spectrum of the CHTC-ME complex in aqueous solution. In this range, CHTC and especially ME show high photochemical stability. The nature of the radiation effect on the studied compounds in the hard UV range (λ < 330 nm) differs greatly from that in the range 330–750 nm. It is apparently accompanied by significant photochemical transmutations of all system components. By comparing the characteristics of the CHTC-ME systems with those of the related drug doxycycline (DC-ME), the conclusion has been made that the chlorine atom plays a vital role in formation of the short-wavelength band in the fluorescence spectrum of the CHTC-ME complex. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 75, No. 1, pp. 52–62, January–February, 2008.     

Search for Higgs bosons decaying to tau pairs in pp over collisions with the D0 detector

We present a search for the production of neutral Higgs bosons varphi decaying into tau+tau - final states in pp over collisions at a center-of-mass energy of 1.96 TeV. The data, corresponding to an integrated luminosity of approximately 1 fb(-1), were collected by the D0 experiment at the Fermilab Tevatron Collider. Limits on the production cross section times branching ratio are set. The results are interpreted in the minimal supersymmetric standard model yielding limits that are the most stringent to date at hadron colliders.     

Measurement of the polarization of the upsilon(1S) and upsilon(2S) states in pp collisions at square root[s]=1.96 TeV

We present a study of the polarization of the Upsilon(1S) and Upsilon(2S) states using a 1.3 fb;{-1} data sample collected by the D0 experiment in 2002-2006 during run II of the Fermilab Tevatron Collider. We measure the polarization parameter alpha=(sigma_{T}-2sigma_{L})/(sigma_{T}+2sigma_{L}), where sigma_{T} and sigma_{L} are the transversely and longitudinally polarized components of the production cross section, as a function of the transverse momentum (p_{T};{Upsilon}) for the Upsilon(1S) and Upsilon(2S). Significant p_{T};{Upsilon}-dependent longitudinal polarization is observed for the Upsilon(1S). A comparison with theoretical models is presented.     

Influence of the Asynchronous Multibeam Irradiation of a Spherical Fusion Target by Megajoule Laser Beams on the Efficiency of Thermonuclear Burning

We have studied the dependence of the compression and burning of a spherical direct-drive fusion target on the nonuniformity of its heating caused by the asynchronous arrival of laser beams under conditions of irradiation by a modern laser system with a total energy of 2 MJ intended for the fuel ignition and fusion energy evolution equal to the absorbed laser energy. The investigation is performed by numerical simulation based on 2D hydrodynamic codes. It is established that the limiting permissible spread of the moments of laser pulse action on the target for ignition significantly exceeds the level that can be ensured using modern methods of controlled temporal synchronization of laser beams.     

Specific Features of the Structure and the Dielectric Properties of Sodium–Bismuth Titanate-Based Ceramics

The phase formation, specific features, and the dielectric properties of the ceramics of compositions from the region of morphotropic interface in the (Na_0.5Bi_0.5)TiO₃–BaTiO₃ system modified by Bi(Mg_0.5Ti_0.5)O₃ and also low-melting additions KCl, NaCl–LiF, CuO, and MnO₂ that favor the control of the stoichiometry and the properties of the ceramics have been studied. The ceramics are characterized by ferroelectric phase transitions that are observed as jumps at temperatures near 400 K and maxima at T_m ~ 600 K in the temperature dependences of the dielectric permittivity. The phase transitions at ~400 K demonstrate the relaxor behavior indicating the existence of polar domains in the nonpolar matrix. An increase in the content of Bi(Mg_0.5Ti_0.5)O₃ favor a decrease in the electrical conductivity and dielectric losses of the samples, and the relative dielectric permittivity at room temperature ε_rt is retained quite high, achieving the highest values ε_rt = 1080–1350 in the ceramics modified with KCl.