(E)-3-(2-Alkyl-10H-phenothiazin-3-yl)-1-arylprop-2-en-1-ones: Preparative, IR, NMR and DFT study on their substituent-dependent reactivity in hydrazinolysis and sonication-assisted oxidation with copper(II)nitrate

A series of novel 3(5)-aryl/ferrocenyl-5(3)-phenothiazinylpyrazoles and pyrazolines were obtained by substituent-dependent regioselective condensation of the corresponding (E)-3-(2-alkyl-10H-phenothiazin-3-yl)-1-aryl/ferrocenylprop-2-en-1-one with hydrazine or methylhydrazine in acetic acid. The different propensity of the primary formed beta-hydrazino adducts to undergo competitive retro-Mannich reaction was interpreted in terms of tautomerisation equilibrium constants calculated by DFT using a solvent model. The regioselectivity of the cyclisation reactions with methylhydrazine and the substituent-dependent redox properties of pyrazolines were also rationalized by comparative DFT calculations performed for simplified model molecules. On the effect of ultrasound-promoted oxidation with copper(II)nitrate phenothiazine-containing pyrazolines, enones and oxo-compounds were selectively transformed into sulfoxides. Only one sulfoxide enone was partially converted into an oxirane derivative. The structure of the novel products was determined by IR and NMR spectroscopy including COSY, HSQC, HMBC and DNOE measurements.     

Stability of Blowup for a 1D Model of Axisymmetric 3D Euler Equation

The question of the global regularity versus finite- time blowup in solutions of the 3D incompressible Euler equation is a major open problem of modern applied analysis. In this paper, we study a class of one-dimensional models of the axisymmetric hyperbolic boundary blow-up scenario for the 3D Euler equation proposed by Hou and Luo (Multiscale Model Simul 12:1722–1776, 2014) based on extensive numerical simulations. These models generalize the 1D Hou–Luo model suggested in Hou and Luo Luo and Hou (2014), for which finite-time blowup has been established in Choi et al. (arXiv preprint. arXiv:1407.4776, 2014). The main new aspects of this work are twofold. First, we establish finite-time blowup for a model that is a closer approximation of the three-dimensional case than the original Hou–Luo model, in the sense that it contains relevant lower-order terms in the Biot–Savart law that have been discarded in Hou and Luo Choi et al. (2014). Secondly, we show that the blow-up mechanism is quite robust, by considering a broader family of models with the same main term as in the Hou–Luo model. Such blow-up stability result may be useful in further work on understanding the 3D hyperbolic blow-up scenario.     

Symbolic Computation with Monotone Operators

We consider a class of monotone operators which are appropriate for symbolic representation and manipulation within a computer algebra system. Various structural properties of the class (e.g., closure under taking inverses, resolvents) are investigated as well as the role played by maximal monotonicity within the class. In particular, we show that there is a natural correspondence between our class of monotone operators and the subdifferentials of convex functions belonging to a class of convex functions deemed suitable for symbolic computation of Fenchel conjugates which were previously studied by Bauschke & von Mohrenschildt and by Borwein & Hamilton. A number of illustrative examples utilizing the introduced class of operators are provided including computation of proximity operators, recovery of a convex penalty function associated with the hard thresholding operator, and computation of superexpectations, superdistributions and superquantiles with specialization to risk measures.     

A Markov-Nikolskii type inequality for absolutely monotone polynomials of order <Emphasis Type="Italic">K</Emphasis>

A function Q is called absolutely monotone of order k on an interval I if Q(x) ≥ 0, Q′(x) ≥ 0, …, Q(k)(x) ≥ 0, for all x ε I. An essentially sharp (up to a multiplicative absolute constant) Markov inequality for absolutely monotone polynomials of order k in L _p [−1, 1], p > 0, is established. One may guess that the right Markov factor is cn ²/k, and this indeed turns out to be the case. Similarly sharp results hold in the case of higher derivatives and Markov-Nikolskii type inequalities. There is also a remarkable connection between the right Markov inequality for absolutely monotone polynomials of order k in the supremum norm and essentially sharp bounds for the largest and smallest zeros of Jacobi polynomials. This is discussed in the last section of the paper.     

A polynomial path-following interior point algorithm for general linear complementarity problems

Linear Complementarity Problems (LCPs) belong to the class of \mathbbNP{\mathbb{NP}} -complete problems. Therefore we cannot expect a polynomial time solution method for LCPs without requiring some special property of the coefficient matrix. Our aim is to construct interior point algorithms which, according to the duality theorem in EP (Existentially Polynomial-time) form, in polynomial time either give a solution of the original problem or detects the lack of property P_*([(k)\tilde]){\mathcal{P}_*(\tilde\kappa)} , with arbitrary large, but apriori fixed [(k)\tilde]{\tilde\kappa}). In the latter case, the algorithms give a polynomial size certificate depending on parameter [(k)\tilde]{\tilde{\kappa}} , the initial interior point and the input size of the LCP). We give the general idea of an EP-modification of interior point algorithms and adapt this modification to long-step path-following interior point algorithms.     

Defects in ZnO nanorods prepared by a hydrothermal method

ZnO nanorod arrays were fabricated using a hydrothermal method. The nanorods were studied by scanning electron microscopy, photoluminescence (PL), time-resolved PL, X-ray photoelectron spectroscopy, and positron annihilation spectroscopy before and after annealing in different environments and at different temperatures. Annealing atmosphere and temperature had significant effects on the PL spectrum, while in all cases the positron diffusion length and PL decay times were increased. We found that, while the defect emission can be significantly reduced by annealing at 200 degrees C, the rods still have large defect concentrations as confirmed by their low positron diffusion length and short PL decay time constants.