Composite Pd/Pr4O7/C catalysts: Synthesis, dispersity and properties

The catalysts prepared sequentiallyvia the interaction of C₃H₅PdC₅H₅ with the surface of evacuated Pr₄O₇/C and reduction with H₂ at 573 K, contain 20–30 Pd particles and Pr₄O₇ particles<20 . The catalysts obtained have two-order of magnitude higher specific activity in the CH₃OH synthesis than Pd/C.     

Metastable ion study of substituted cyclopentadienylmanganese cations in the gas phase

The behavior of some substituted cyclopentadienylmanganese ions has been studied by tandem mass spectrometry. This metastable ion study showed that only C₅H₅Mn⁺ and (C₅H₄CN)Mn⁺ ions retain their nido-cluster structure (1), which is characterized by a simple metal-ligand bond cleavage. Other substituted ions, RXC₅H₄Mn⁺, rearrange to a different extent, depending on the nature of the substituent. The first rearrangement step is R radical migration to the central metal atom, leading to RMnC₅H₄X⁺-type ions (2). These ions decompose by elimination of X (for X=CO) or with formation of RMnX⁺, but further rearrangements can also occur. These are the reverse migration of R from the metal atom to the π-ligand (for R=H, Ph) and cyclopentadienyl ring expansion (for X=CH₂). Collisional activation mass spectra contained an Mn⁺ ion peak, which can indicate the existence of stable type 1 structures for most cyclopentadienylmanganese ions. Carboxyl and hydroxymethyl derivatives exist, presumably as ions of type 2. The neutralization-reionization mass spectra of RXC₅H₄Mn⁺ ions are also discussed.     

Coadjoint orbits of the group UT(7, <Emphasis Type="Italic">K</Emphasis>)

We classify the irreducible representations and the coadjoint orbits of a unitriangular group of size less than or equal to seven. We classify the subregular orbits of a unitriangular group of arbitrary size. Translated from Fundamentalnaya i Prikladnaya Matematika, Vol. 13, No. 5, pp. 127–159, 2007.     

Ultra-parabolic equations with rough coefficients. Entropy solutions and strong precompactness property

Under some nondegeneracy condition, we show that sequences of entropy and approximate solutions of a semilinear ultra-parabolic equation are strongly precompact in the general case of a Caratheodory flux vector and a diffusion matrix. The proofs are based on localization principles for the parabolic H-measures corresponding to sequences of measure-valued functions. Bibliography: 21 titles. Dedicated to Nina Nikolaevna Uraltseva Translated from Problemy Matematicheskogo Analiza, 41, May 2009, pp. 49–92.     

Density functional and spectroscopic studies of nitrogen inversion in substituted dizocilpines

While developing a synthesis towards tagged dizocilpine (MK‐801) analogues, we observed highly restricted inversion of a nitrogen centre in a number hydroxylamines obtained as key intermediates. These compounds are shown to possess some of the structural elements which are expected to significantly hinder the nitrogen inversion, potentially leading to hydroxylamines with a chiral nitrogen centre. Free energy barriers (ΔG^≠) of the nitrogen inversion were estimated to be ca. 22 kcal mol^?1 at temperatures near 420 K using variable temperature NMR measurements in DMSO‐d₆. Further density functional studies of a number model systems were undertaken in order to better rationalize the measured inversion barriers and follow the role of various structural factors in raising the barrier height of the nitrogen inversion process. Copyright © 2008 John Wiley & Sons, Ltd.     

Area Spaces: First Steps

We show that a Riemannian manifold of dimension at least 3 can be recovered from the space of boundaries of rectifiable integral 2-currents (the “lcycles”) equipped with the filling area distance, and discuss possible approaches to “spaces with area structures”.     

Planarization of a surface of nanoporous silica–titania composition by atomic-molecular chemical assembly

The processes involved in the planarization of the surface of nanoporous SiO₂ by the atomicmolecular deposition of nanoscale TiO₂ films were studied in regimes with different degrees of penetration of TiO₂ into SiO₂ nanopores. The technological process parameters that correspond to different regimes of surface planarization were examined. The degree of penetration of TiO₂ into SiO₂ nanopores was monitored using reflection ellipsometry by measuring the depth distribution of the refraction index within the two-layer model.     

Relation between the coefficients of simple and multiple regression models

We consider the problem of finding the dependence of the coefficients of a multiple regression model and the coefficients of the simple correlation models that describe the predictor variables. We show that the dependence is described by a matrix equality.     

Optimal control for reinitialization in finite element level set methods

A new optimal control problem that incorporates the residual of the Eikonal equation into its objective is presented. The formulation of the state equation is based on the level set transport equation but extended by an additional source term, correcting the solution so as to minimize the objective functional. The method enforces the constraint so that the interface cannot be displaced at least in the continuous setting. The system of first‐order optimality conditions is derived, linearized, and solved numerically. The control also prevents numerical instabilities, so that no additional stabilization techniques are required. This approach offers the flexibility to include other desired design criteria into the objective functional. The methodology is evaluated numerically in three different examples and compared with other PDE‐based reinitialization techniques. Copyright © 2016 John Wiley & Sons, Ltd.     

Pseudoinstantons in Metric-Affine Field Theory

In abstract Yang–Mills theory the standard instanton construction relies on the Hodge star having real eigenvalues which makes it inapplicable in the Lorentzian case. We show that for the affine connection an instanton-type construction can be carried out in the Lorentzian setting. The Lorentzian analogue of an instanton is a spacetime whose connection is metric compatible and Riemann curvature irreducible (pseudoinstanton). We suggest a metric-affine action which is a natural generalization of the Yang–Mills action and for which pseudoinstantons are stationary points. We show that a spacetime with a Ricci flat Levi-Civita connection is a pseudoinstanton, so the vacuum Einstein equation is a special case of our theory. We also find another pseudoinstanton which is a wave of torsion in Minkowski space. Analysis of the latter solution indicates the possibility of using it as a model for the neutrino.