Low-energy interplanetary charged particles: Solar south pole to solar north pole and high heliolatitudes

Summary Low-energy (≳50 keV) charged particles measured by the HI-SCALE instrument on the Ulysses spacecraft provided unique information on the particle composition and intensity in both polar regions of the Sun. Further, the rapid 160° South-to-North solar transit of Ulysses in early 1995 yielded new information on heliospheric structure. This paper reviews several of the key HI-SCALE results, including the latitude dependence of particle acceleration by corotating interaction regions, particle propagation from equatorial regions of the Sun to high heliolatitudes, and the appearance of numerous periodic components in the power spectra of the particle variations, the frequencies of which are consistent with those estimated (but not as yet confirmed) for gravity-mode oscillations of the Sun. Paper presented at the Special Session on the Ulysses mission of the XXIV International Cosmic-Ray Conference, Rome, August 28–September 8, 1995.     

Dta study of the reactions of V2O5 with metal (II) oxides

The “Ignition” criteria taken from the theory of combustion are suggested for the determination of various kinetic characteristics with the thermophysical parameters depending upon the temperature. The result of application of the “Ignition” criteria to determine the activation energy of magnesite are presented. It is shown that on taking into account a linear relationship between the temperature and the heat capacity and the heat conductions of magnesite and the reference materialE proves to be much lower than the value of activation energy obtained with the assumption that the thermophysical parameters do not depend on it.     

Electrothermal atomic absorption spectrometric determination of cobalt in steel after chloroform extraction of its 1-nitroso-2-naphthol complex

Direct determination of μg g^-1 levels of cobalt in steels and corrosion products by electrothermal atomic absorption is difficult because of suppression of the cobalt signal by mineral acids and other metals. Extraction or cobalt with 1-nitroso-2-naphthol into chloroform in the presence of citrate overcomes this problem. Samples (0.4–10 mg) may be dissolved in a variety of acids, and a detection limit of 0.005 μg g^-1 in the chloroform extract is obtained.     

Efficient quantum monte carlo energies for molecular dynamics simulations

A method is presented to treat electrons within the many-body quantum Monte Carlo (QMC) approach "on-the-fly" throughout a molecular dynamics (MD) simulation. Our approach leverages the large (10-100) ratio of the QMC electron to MD ion motion to couple the stochastic, imaginary-time electronic and real-time ionic trajectories. This continuous evolution of the QMC electrons results in highly accurate total energies for the full dynamical trajectory at a fraction of the cost of conventional, discrete sampling. We show that this can be achieved efficiently for both ground and excited states with only a modest overhead to an ab initio MD method. The accuracy of this dynamical QMC approach is demonstrated for a variety of systems, phases, and properties, including optical gaps of hot silicon quantum dots, dissociation energy of a single water molecule, and heat of vaporization of liquid water.     

Directed evolution of O6-alkylguanine-DNA alkyltransferase for efficient labeling of fusion proteins with small molecules in vivo

We report here the generation of mutants of the human O(6)-alkylguanine-DNA alkyltransferase (hAGT) for the efficient in vivo labeling of fusion proteins with synthetic reporter molecules. Libraries of hAGT were displayed on phage, and mutants capable of efficiently reacting with the inhibitor O(6)-benzylguanine were selected based on their ability to irreversibly transfer the benzyl group to a reactive cysteine residue. Using synthetic O(6)-benzylguanine derivatives, the selected mutant proteins allow for a highly efficient covalent labeling of hAGT fusion proteins in vivo and in vitro with small molecules and therefore should become important tools for studying protein function in living cells. In addition to various applications in proteomics, the selected mutants also yield insight into the interaction of the DNA repair protein hAGT with its inhibitor O(6)-benzylguanine.     

Unique photoactive nanocomposites based on rhodamine 6G/polymer/montmorillonite hybrid systems

An organo‐montmorillonite (MMT) complex [poly‐diallyldimethyl(PDDA)‐Kunipia F] with various loadings of polycation was modified with a laser dye Rhodamine 6G (R6G) to obtain a photofunctional hybrid materials for monitoring of dye‐polymer‐MMT nanocomposite interactions. The polymer‐MMTs were prepared in a colloidal state via ion‐exchange reaction. The content of polycation (PDDA) in suspensions varied from 20 mg to 1000 mg per 1 g of Kunipia F (KF) MMT. Dramatic changes was observed in the structure of PPDA‐MMT containing 200–300 mg of polymer per 1 g of KF, which was the saturation point of the polycation for this system. The PDDA molecules were able to suppress the formation of nonluminescent H‐aggregates and to enhance the overall luminescence properties. The PDDA/MMT nanocomposite systems are the novel ones that have not been studied before in order to prepare highly fluorescence hybrid systems. © 2013 Wiley Periodicals, Inc. J. Polym. Sci. Part B: Polym. Phys. 2013 , 51, 1672–1679     

Structure of fermion nodes and nodal cells

We study nodes of fermionic ground state wave functions. For two dimensions and higher we prove that spin-polarized, noninteracting fermions in a harmonic well have two nodal cells for arbitrary system size. The result extends to noninteracting or mean-field models in other geometries and to Hartree-Fock atomic states. Spin-unpolarized noninteracting states have multiple nodal cells; however, interactions and many-body correlations generally relax the multiple cells to the minimal number of two. With some conditions, this is proved for interacting two and higher dimensions harmonic fermion systems of arbitrary size using the Bardeen-Cooper-Schrieffer variational wave function.     

Homogeneous freezing of water starts in the subsurface

Molecular dynamics simulations of homogeneous ice nucleation in extended aqueous slabs show that freezing preferentially starts in the subsurface. The top surface layer remains disordered during the freezing process. The subsurface accommodates better than the bulk the increase of volume connected with freezing. It also experiences strong electric fields caused by oriented surface water molecules, which can enhance ice nucleation. Our computational results shed new light on the experimental controversy concerning the bulk vs surface origin of homogeneous ice nucleation in water droplets. This has important atmospheric implications for the microphysics of formation of high altitude clouds.     

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