Efficient and stereoselective synthesis of (S)-α-propargylglycine derivatives from allenylboronic acid

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Structure and quantum chemical study of crystalline platinum(II) acetate

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On percolation and ‐hardness

The edge‐percolation and vertex‐percolation random graph models start with an arbitrary graph G, and randomly delete edges or vertices of G with some fixed probability. We study the computational complexity of problems whose inputs are obtained by applying percolation to worst‐case instances. Specifically, we show that a number of classical ‐hard problems on graphs remain essentially as hard on percolated instances as they are in the worst‐case (assuming ). We also prove hardness results for other ‐hard problems such as Constraint Satisfaction Problems and Subset‐Sum, with suitable definitions of random deletions. Along the way, we establish that for any given graph G the independence number and the chromatic number are robust to percolation in the following sense. Given a graph G, let be the graph obtained by randomly deleting edges of G with some probability . We show that if is small, then remains small with probability at least 0.99. Similarly, we show that if is large, then remains large with probability at least 0.99. We believe these results are of independent interest.     

Synthesis and Spatial Structure of the Derivatives of 2,5-Dioxo-3,3-Bis(Trifluoromethyl)-6,7-Benzo-1,4,2-and 2,5-Dioxo-4,4-Bis(Trifluoromethyl)-6,7-Benzo-1,3,2-Oxazaphosphepines

Abstract

Hexafluoroacetone imine easily interacts with compounds (I, R = OMe, OCH₂CF₂CHF₂, NEt₂, Ph) in two directions unlike hexafluoroacttone and gives 1,4,2-oxazaphosphepines (II) (pathway I) or 1,3,2-oxszaphosphepines (III) (pathway 2). The compound (II) (R = NEt₂) lightly hydrolyzes to yield the salt (IV). The structure of heterocycles II-IV) has been confirmed by X-ray analysis (see fig. I, II, R = OMe; fig. 2, IV). The detail structural peculiarities of the compounds am discussed.     

Enumeration of non-labile oxygen atoms in dissolved organic matter by use of 16O/18O exchange and Fourier transform ion-cyclotron resonance mass spectrometry

We report a simple approach for enumeration of non-labile oxygen atoms in individual molecules of dissolved organic matter (DOM), using acid-catalyzed ¹⁶O/¹⁸O exchange and ultrahigh-resolution Fourier-transform ion-cyclotron-resonance mass spectrometry (FTICR-MS). We found that by dissolving DOM in H₂ ¹⁸O at 95 °C for 20 days it is possible to replace all oxygen atoms of DOM molecules (excluding oxygen from ether groups) with ¹⁸O. The number of exchanges in each molecule can be determined using high-resolution FTICR. Using the proposed method we identified the number of non-labile oxygen atoms in 231 molecules composing DOM. Also, using a previously developed hydrogen–deuterium (H/D)-exchange approach we identified the number of labile hydrogen atoms in 450 individual molecular formulas. In addition, we observed that several backbone hydrogen atoms can be exchanged for deuterium under acidic conditions. The method can be used for structural and chemical characterization of individual DOM molecules, comparing different DOM samples, and investigation of biological pathways of DOM in the environment.     

Intrinsic symmetries in constitutive modeling of magneto–elastic materials

We consider a class of non-dissipative materials whose constitutive equations are derived from a suitably constructed thermodynamic potential function. The Gibbs energy relation is introduced as a function of stress, strain, magnetic field, magnetization, and temperature. By minimization with respect to the chosen subset of independent variables we derive the corresponding set of constitutive equations. The chosen form of the free energy function leads to the linear elastic and nonlinear ferromagnetic coupling where non-linearity emerges in terms associated with the strength of magnetization. (© 2015 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Multi-criteria optimisation of the vibro-isolation properties

The paper deals with a methodology of shaping the vibro-isolation properties of suspensions applied in automotive systems. The developed optimisation procedure allows to find the Pareto-optimal system configuration for the conflicted vibro-isolating criteria. The correctness of proposed methodology is evaluated using the semi active and active systems with optimal controller settings. (© 2015 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Turbulent boundary layer on a plate. Reynolds analogy and new formulations of the temperature defect law

A consistent asymptotic theory describing hydrodynamic and thermal turbulent boundary layers on a flat plate in zero pressure gradient is developed. The fact that the flow depends on a limited number of governing parameters allows us to formulate algebraic closure conditions that relate the turbulent shear stress and turbulent heat flux to mean velocity and temperature gradients. As a result of an exact asymptotic solution of the boundary-layer equations, the known laws of the wall for the velocity and temperature and the velocity and temperature defect laws as well as the expressions for the skin-friction coefficient, Stanton number, and Reynolds-analogy factor are obtained. The latter implies two new formulations for the temperature defect law one of which is completely similar to the velocity defect law and does not contain the Stanton number and the turbulent Prandtl number, and the other does not contain the skin-friction coefficient. A heat-transfer law is obtained that relates only thermal quantities. The theoretical conclusions agree well with experimental data. (© 2015 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)