Synthesis and Stereochemistry of Novel Dibrominated 1,5-Dioxaspiro[5.5]undecane Derivatives

 The synthesis and stereochemistry of new dibrominated spiro-1,3-dioxane derivatives are reported. Investigations by means of NMR methods and single crystal X-ray diffraction for two compounds revealed the high regio- and diastereoselectivity of the bromination reaction of some new spiro-1,3-dioxanes and the asymmetric induction of the chiral carbon atom located in the spiro skeleton.     

Positive-Part Moments via the Fourier–Laplace Transform

Integral expressions for positive-part moments E X₊^p\mathsf{E}\,X_{+}^{p} (p>0) of random variables X are presented, in terms of the Fourier–Laplace or Fourier transforms of the distribution of X. A necessary and sufficient condition for the validity of such an expression is given. This study was motivated by extremal problems in probability and statistics, where one needs to evaluate such positive-part moments.     

Integrable structure of the field theory of open superstrings

We find asymptotic expansions in the “string mass” μ for μ-deformed Γ-functions and Neumann coefficients characterizing the three-string vertex in the light-cone gauge of the field theory of open superstrings on a maximally supersymmetric pp-wave background. Dedicated to the 80th birthday of Academician Anatolii Alekseevich Logunov __________ Translated from Teoreticheskaya i Matematicheskaya Fizika, Vol. 149, No. 3, pp. 381–385, December, 2006.     

Thermal properties of quantum electrodynamics in 2 + 1 dimensions and confinement

Conclusions Thus, we have shown that in QED₃ systematic allowance for screening makes it possible to eliminate infrared divergences and in this respect advance further than in QCD₄, in which the question of the mechanism of their elimination remains open. The comparative simplicity of the model also makes it possible to study systematically the more important question of the general structure of the series of skeleton perturbation theory and the excitation spectrum. We are currently working on this question.All-Union Scientific-Research Center for the Study of Surface and Vacuum Properties. Translated from Teoreticheskaya i Matematicheskaya Fizika, Vol. 69, No. 1, pp. 25–39, October, 1986.     

High-frequency diffraction corrections to backscattering cross sections from a rough three-dimensional surface

Diffraction corrections to scalar wave fields at perfectly free and rigid rough surfaces were derived by two iterations of the corresponding integral equations. These diffraction corrections to the pressure or normal velocity (which, in the geometrical optics limit, are doubled at perfectly rigid and free surfaces, respectively) were obtained with an accuracy of approximately 1k(2), where k is the wave number of incidence radiation. Based on these corrections to the surface fields, the backscattering cross sections at normal incidence from the statistically rough Gaussian surfaces were derived. It was found that for the gentle roughness, diffraction results in effective "smoothing" of roughness for rigid and free surfaces and increasing of the backscattering cross sections, but for a rigid surface with steep roughness, the "fictitious" surface can be more rough than the real one, and the diffraction corrections become negative.     

Model equations for the Eiffel Tower profile: historical perspective and new results

Model equations for the shape of the Eiffel Tower are investigated. One model purported to be based on Eiffel's writing does not give a tower with the correct curvature. A second popular model not connected with Eiffel's writings provides a fair approximation to the tower's skyline profile of 29 contiguous panels. Reported here is a third model derived from Eiffel's concern about wind loads on the tower, as documented in his communication to the French Civil Engineering Society on 30 March 1885. The result is a nonlinear, integro-differential equation which is solved to yield an exponential tower profile. It is further verified that, as Eiffel wrote, “in reality the curve exterior of the tower reproduces, at a determined scale, the same curve of the moments produced by the wind”. An analysis of the actual tower profile shows that it is composed of two piecewise continuous exponentials with different growth rates. This is explained by specific safety factors for wind loading that Eiffel & Company incorporated in the design of the free-standing tower. To cite this article: P. Weidman, I. Pinelis, C. R. Mecanique 332 (2004).     

Parameterization of electrostatic interactions for molecular dynamics simulations of heterocyclic polymers

The paper focuses on the problem of electrostatic interactions in molecular dynamics simulations of thermal properties of heterocyclic polymers. The study focuses on three thermoplastic polyimides synthesized on the basis of 1,3‐bis‐(3′,4‐dicarboxyphenoxy)benzene (dianhydride R) and three diamines: 4,4′‐bis‐(4″‐aminophenoxy) diphenylsulfone (diamine BAPS), 4,4′‐bis‐(4″‐aminophenoxy) biphenyl (diamine BAPB), and 4,4′‐bis‐(4''‐aminophenoxy) diphenyloxide (diamine BAPO). In the molecular dynamics simulations these polyimides were described by the Gromos53a5 force field. To parameterize the electrostatic interactions four methods of calculating the partial atomic charges were chosen: B3LYP/6–31G*(Mulliken), AM1(Mulliken), HF/6–31G*(Mulliken), and HF/6–31G*(ChelpG). As our parameterization is targeted to reproduce thermal properties of the thermoplastic polyimides, the choice of proper partial charges was finalized on a basis of the closest match between computational and experimental data for the thermal expansion coefficients of the polyimides below glass transition temperatures. Our finding clearly show that the best agreement with experimental data is achieved with the Mulliken partial atomic charges calculated by the Hartree‐Fock method with 6–31G* basis set. Furthermore, in addition to the thermal expansion coefficients this set of partial atomic charges predicts an experimentally observed relationship between glass transition temperatures of the three polyimides under study: . A mechanism behind the change in thermal properties upon the change in the chemical structure in considered polyimides may be related to an additional spatial ordering of sulfone groups due to dipole‐dipole interactions. Overall, the modified force‐field is proved to be suitable for accurate prediction of thermal properties of thermoplastic polyimides and can serve as a basis for building up atomistic theoretical models for describing other heterocyclic polymers in bulk. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2015 , 53, 912–923     

Gravitational Field Equations on Fefferman Space–Times

The total space \({\mathfrak M} \approx {\mathbb H}_1 \times S^1\) of the canonical circle bundle over the 3-dimensional Heisenberg group \({\mathbb H}_1\) is a space–time with the Lorentzian metric \(F_{\theta _0}\) (Fefferman’s metric) associated to the canonical Tanaka–Webster flat contact form \(\theta _0\) on \({\mathbb H}_1\). The matter and energy content of \(\mathfrak M\) is described by the energy-momentum tensor \({T}_{\mu \nu }\) (the trace-less Ricci tensor of \(F_{\theta _0}\)) as an effect of the non flat nature of Feferman’s metric \(F_{\theta _0}\). We study the gravitational field equations \(R_{\mu \nu } - (1/2) \, R \, g_{\mu \nu } = {T}_{\mu \nu }\) on \({\mathfrak M}\). We consider the first order perturbation \(g = F_{\theta _0} + \epsilon \, h\), \(\epsilon<< 1\), and linearize the field equations about \(F_{\theta _0}\). We determine a Lorentzian metric g on \({\mathfrak M}\) which solves the linearized field equations corresponding to a diagonal perturbation h.     

Recovery of Immersions from Their Metric Tensors and Nonlinear Korn Inequalities: A Brief Survey

The authors discuss the existence and uniqueness up to isometries of Enof immersions φ : Ω  R~n→ E~n with prescribed metric tensor field(g ij) : Ω→ S~n, and discuss the continuity of the mapping(gij) →φ defined in this fashion with respect to various topologies. In particular, the case where the function spaces have little regularity is considered. How, in some cases, the continuity of the mapping(gij) →φ can be obtained by means of nonlinear Korn inequalities is shown.