Partial rotation of the isopropyl group in the solid state: single-crystal-to-single-crystal phase transformation in a carvacrol derivative

A hitherto unseen rotation of the isopropyl group in the solid state, predicted to be forbidden based on theoretical investigations, is reported. This C-C rotation observed during the temperature dependent single-crystal-to-single-crystal transformation is attributed to the concomitant changes in molecular structure and intermolecular packing.

Mixed norm estimates for the Riesz transforms on the Heisenberg group

In this paper we prove weighted mixed norm estimates for Riesz transforms on the Heisenberg group and Riesz transforms associated to the special Hermite operator. From these results vector-valued inequalities for sequences of Riesz transforms associated to generalised Grushin operators and Laguerre operators are deduced.

Renormalization group invariants and sum rules in the deflected mirage mediation supersymmetry breaking

We examine the deflected mirage mediation supersymmetry breaking (DMMSB) scenario, which combines three supersymmetry breaking scenarios, namely anomaly mediation, gravity mediation and gauge mediation using the one-loop renormalization group invariants (RGIs). We examine the effects on the RGIs at the threshold where the gauge messengers emerge, and derive the supersymmetry breaking parameters in terms of the RGIs. We further discuss whether the supersymmetry breaking mediation mechanism can be determined using a limited set of invariants, and derive sum rules valid for DMMSB below the gauge messenger scale. In addition we examine the implications of the measured Higgs mass for the DMMSB spectrum.

Binary group III-nitride based heterostructures: band offsets and transport properties

In the last few years, there has been remarkable progress in the development of group III-nitride based materials because of their potential application in fabricating various optoelectronic devices such as light emitting diodes, laser diodes, tandem solar cells and field effect transistors. In order to realize these devices, growth of device quality heterostructures are required. One of the most interesting properties of a semiconductor heterostructure interface is its Schottky barrier height, which is a measure of the mismatch of the energy levels for the majority carriers across the heterojunction interface. Recently, the growth of non-polar III-nitrides has been an important subject due to its potential improvement on the efficiency of III-nitride-based opto-electronic devices. It is well known that the c-axis oriented optoelectronic devices are strongly affected by the intrinsic spontaneous and piezoelectric polarization fields, which results in the low electron-hole recombination efficiency. One of the useful approaches for eliminating the piezoelectric polarization effects is to fabricate nitride-based devices along non-polar and semi-polar directions. Heterostructures grown on these orientations are receiving a lot of focus due to enhanced behaviour. In the present review article discussion has been carried out on the growth of III-nitride binary alloys and properties of GaN/Si, InN/Si, polar InN/GaN, and nonpolar InN/GaN heterostructures followed by studies on band offsets of III-nitride semiconductor heterostructures using the x-ray photoelectron spectroscopy technique. Current transport mechanisms of these heterostructures are also discussed.

A mean-reverting stochastic model for the political business cycle

In this article, we look at the political business cycle problem through the lens of uncertainty. The feedback control used by us is the famous NKPC with stochasticity and wage rigidities. We extend the New Keynesian Phillips Curve model to the continuous time stochastic set up with an Ornstein-Uhlenbeck process. We minimize relevant expected quadratic cost by solving the corresponding Hamilton-Jacobi-Bellman equation. The basic intuition of the classical model is qualitatively carried forward in our set up but uncertainty also plays an important role in determining the optimal trajectory of the voter support function. The internal variability of the system acts as a base shifter for the support function in the risk neutral case. The role of uncertainty is even more prominent in the risk averse case where all the shape parameters are directly dependent on variability. Thus, in this case variability controls both the rates of change as well as the base shift parameters. To gain more insight we have also studied the model when the coefficients are time invariant and studied numerical solutions. The close relationship between the unemployment rate and the support function for the incumbent party is highlighted. The role of uncertainty in creating sampling fluctuation in this set up, possibly towards apparently anomalous results, is also explored.

Continuum in the X-Z-Y Weak Bonds: Z= Main Group Elements

The Continuum in the variation of the X-Z bond length change from blue-shifting to red-shifting through zero-shifting in the X-Z---Y complex is inevitable. This has been analyzed by ab-initio molecular orbital calculations using Z= Hydrogen, Halogens, Chalcogens, and Pnicogens as prototypical examples. Our analysis revealed that, the competition between negative hyperconjugation within the donor (X-Z) molecule and Charge Transfer (CT) from the acceptor (Y) molecule is the primary reason for the X-Z bond length change. Here, we report that, the proper tuning of X-and Y-group for a particular Z-can change the blue-shifting nature of X-Z bond to zero-shifting and further to red-shifting. This observation led to the proposal of a continuum in the variation of the X-Z bond length during the formation of X-Z---Y complex. The varying number of orbitals and electrons available around the Z-atom differentiates various classes of weak interactions and leads to interactions dramatically different from the H-Bond. Our explanations based on the model of anti-bonding orbitals can be transferred from one class of weak interactions to another. We further take the idea of continuum to the nature of chemical bonding in general. (C) 2015 Wiley Periodicals, Inc.

Effect of methylene group insertions on the structural rigidity of Aib containing helices

Nonprotein amino acids are being extensively used in the design of synthetic peptides to create new structure mimics. In this study we report the effect of methylene group insertions in a heptapeptide Boc-Ala(1)-Leu(2)-Aib(3)-Xxx(4)-Ala(5)-Leu(6)-Aib(7)-OMe which nicely folds into a mixed 3(10)-/-helical structure when Xxx= Ala. Analogs of this peptide have been made and studied by replacing central Xxx(4) residue with Glycine (-residue), -Alanine (-la), -aminobutyric acid (Gaba), and epsilon-aminocaproic acid (epsilon-Aca). NMR and circular dichroism were used to study the solution structure of these peptides. Crystals of the peptides containing alanine, -la, and Gaba reveal that increasing the number of central methylene (-CH2-) groups introduces local perturbations even as the helical structure is retained. (c) 2015 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 104: 720-732, 2015.

Efficient density matrix renormalization group algorithm to study Y junctions with integer and half-integer spin

An efficient density matrix renormalization group (DMRG) algorithm is presented and applied to Y junctions, systems with three arms of n sites that meet at a central site. The accuracy is comparable to DMRG of chains. As in chains, new sites are always bonded to the most recently added sites and the superblock Hamiltonian contains only new or once renormalized operators. Junctions of up to N = 3n + 1 approximate to 500 sites are studied with antiferromagnetic (AF) Heisenberg exchange J between nearest-neighbor spins S or electron transfer t between nearest neighbors in half-filled Hubbard models. Exchange or electron transfer is exclusively between sites in two sublattices with N-A not equal N-B. The ground state (GS) and spin densities rho(r) = < S-r(z)> at site r are quite different for junctions with S = 1/2, 1, 3/2, and 2. The GS has finite total spin S-G = 2S(S) for even (odd) N and for M-G = S-G in the S-G spin manifold, rho(r) > 0(< 0) at sites of the larger (smaller) sublattice. S = 1/2 junctions have delocalized states and decreasing spin densities with increasing N. S = 1 junctions have four localized S-z = 1/2 states at the end of each arm and centered on the junction, consistent with localized states in S = 1 chains with finite Haldane gap. The GS of S = 3/2 or 2 junctions of up to 500 spins is a spin density wave with increased amplitude at the ends of arms or near the junction. Quantum fluctuations completely suppress AF order in S = 1/2 or 1 junctions, as well as in half-filled Hubbard junctions, but reduce rather than suppress AF order in S = 3/2 or 2 junctions.

Fourth order accurate compact scheme with group velocity control (GVC)

For solving complex flow field with multi-scale structure higher order accurate schemes are preferred. Among high order schemes the compact schemes have higher resolving efficiency. When the compact and upwind compact schemes are used to solve aerodynamic problems there are numerical oscillations near the shocks. The reason of oscillation production is because of non-uniform group velocity of wave packets in numerical solutions. For improvement of resolution of the shock a parameter function is introduced in compact scheme to control the group velocity. The newly developed method is simple. It has higher accuracy and less stencil of grid points.

Scheme Construction with Numerical Flux Residual Correction (NFRC) and Group Velocity Control (GVC)

For simulating multi-scale complex flow fields like turbulent flows, the high order accurate schemes are preferred. In this paper, a scheme construction with numerical flux residual correction (NFRC) is presented. Any order accurate difference approximation can be obtained with the NFRC. To improve the resolution of the shock, the constructed schemes are modified with group velocity control (GVC) and weighted group velocity control (WGVC). The method of scheme construction is simple, and it is used to solve practical problems.

Optimized Group Velocity Control Scheme and DNS of Decaying Compressible Turbulence of Relative High Turbulent Mach Number

To overcome the difficulty in the DNS of compressible turbulence at high turbulent Mach number, a new difference scheme called GVC8 is developed. We have succeeded in the direct numerical simulation of decaying compressible turbulence up to turbulent Mach number 0.95. The statistical quantities thus obtained at lower turbulent Mach number agree well with those from previous authors with the same initial conditions, but they are limited to simulate at lower turbulent Mach numbers due to the so-called start-up problem. The energy spectrum and coherent structure of compressible turbulent flow are analysed. The scaling law of compressible turbulence is studied. The computed results indicate that the extended self-similarity holds in decaying compressible turbulence despite the occurrence of shocklets, and compressibility has little effects on relative scaling exponents when turbulent Mach number is not very high.

Parentesco, prestigio y poder en la alta edad media : la antroponimia aristocrática en el Reino de León (siglos X y XI)

Resumen: El presente trabajo analiza la antroponimia de la aristocracia leonesa en los siglos X y XI, a fi n de contribuir a la comprensión de las estructuras de parentesco de los grupos aristocráticos, las manifestaciones de la memoria familiar y el papel del parentesco en la construcción del poder y el prestigio social. Se plantea que la aristocracia desarrolló una antroponimia específi ca basada en la reiteración de determinados nombres propios a lo largo de las generaciones, que constituyó un importante elemento de identifi cación de la parentela y que expresó en el plano simbólico la organización de los grupos de parentesco en función de la transmisión del poder y la afi rmación del prestigio familiar.

La participación política de los intelectuales durante la transición democrática : el Grupo Esmeralda y el prresidente Alfonsín

Resumen: El presente artículo tiene por objeto analizar las relaciones que se establecieron entre un grupo de intelectuales de izquierda y el presidente radical Raúl Alfonsín durante la transición democrática en la Argentina. Se describirán en primer lugar los desplazamientos teóricos de la izquierda intelectual marcados por el exilio mexicano; en segundo lugar, las características del campo cultural en la transición democrática en los ochenta, centrándose en la producción de los intelectuales vinculados con la revista Punto de Vista y el Club de Cultura Socialista y, por último, los vínculos que se establecieron entre el presidente Alfonsín y los intelectuales de la izquierda renovada, analizando los dilemas ético-políticos que debieron enfrentar. La construcción de sentido en torno a un personaje político, en el que los intelectuales veían la posibilidad de que se convirtiera en un moderno líder socialdemócrata, es la hipótesis a partir de la cual intenta explicarse la vinculación, siguiendo las teorías de Pierre Bourdieu.

El debate “nacionalismo sano” versus “patriotismo republicano”

Teniendo en cuenta la grave crisis política, económica y social que persiste en gran parte de los países de Latinoamérica, la discusión acerca de qué proyecto de Nación queremos continúa vigente y debería seguir discutiéndose. El artículo se propone contribuir a profundizar y enriquecer esta discusión a partir de una recuperación y abordaje crítico del debate iniciado por un grupo de intelectuales argentinos entre la perspectiva del “patriotismo republicano” y los defensores del “nacionalismo sano”. Según se sostiene, ambos enfoques no son necesariamente incompatibles, pudiendo complementarse entre sí a partir de un orden prioritario.

Los universitarios y sus concepciones políticas a la luz del neotomismo argentino al filo de los siglos XIX y XX

Resumen: Los avances del liberalismo conmovieron, en buena medida, a la filosofía cristiana. Efectivamente él consagró el valor de la libertad como aspiración máxima y, en su nombre, se intentó sacudir el yugo de la autoridad y la Iglesia no quedó al margen, por lo que los católicos se replantearon muchas de sus posiciones, a fin de poder brindar las respuestas sociales que la sociedad estaba reclamando. Fue así que apareció la tercera escolástica, concebida como un movimiento de renovación contra el liberalismo que lo había invadido todo. Los propulsores de esta corriente decidieron restaurar en las escuelas y universidades la filosofía de Santo Tomás. La Argentina sufrió también las embestidas del liberalismo, lo que impulsó a los católicos a prepararse para plasmar soluciones en las más diversas áreas, con la idea de fondo de imponer el catolicismo como el principio organizador del medio social, argumentando que esa había sido la tendencia histórica en el país. Así fue como la tercera renovación escolástica, o neotomismo, penetró en la Argentina a fines del siglo XIX y en el XX, y se impuso tanto entre los seminaristas como en la Universidad de Córdoba y particularmente en su Facultad de Derecho y Ciencias Sociales. Durante los últimos años del otoño decimonónico la neoescolástica estuvo presente en muchas de las tesis presentadas en la Facultad de Derecho, siguiendo, en este aspecto, una tradición de la universidad cordobesa, la que predominaba también entre ciertos profesores. En este trabajo rastreamos los fundamentos del poder político que se encuentran en esos trabajos, refiriéndonos, por un lado, a la visión del grupo sobre el orden, a la igualdad y el progreso y, por otro, a los derechos del hombre.