Stabilizing effect of electrostatic vs. aromatic interactions in diproline nucleated peptide beta-hairpins

The contribution of Tyr-His vs. Cys-His interacting pairs to the scaffold stability of (D)Pro-(L)Pro nucleated peptide beta-hairpins has been examined. We present direct evidence for the superiority of the Cys-His pairs, mediated by sulphur-imidazole interactions, as added stabilizing agents of the beta-hairpin scaffold.

Synthesis of pure iron magnetic nanoparticles in large quantity

Free nanoparticles of iron (Fe) and their colloids with high saturation magnetization are in demand for medical and microfluidic applications. However, the oxide layer that forms during processing has made such synthesis a formidable challenge. Lowering the synthesis temperature decreases rate of oxidation and hence provides a new way of producing pure metallic nanoparticles prone to oxidation in bulk amount (large quantity). In this paper we have proposed a methodology that is designed with the knowledge of thermodynamic imperatives of oxidation to obtain almost oxygen-free iron nanoparticles, with or without any organic capping by controlled milling at low temperatures in a specially designed high-energy ball mill with the possibility of bulk production. The particles can be ultrasonicated to produce colloids and can be bio-capped to produce transparent solution. The magnetic properties of these nanoparticles confirm their superiority for possible biomedical and other applications.

Differential evolution based 3-D guidance law for a realistic interceptor model

This paper presents a novel, soft computing based solution to a complex optimal control or dynamic optimization problem that requires the solution to be available in real-time. The complexities in this problem of optimal guidance of interceptors launched with high initial heading errors include the more involved physics of a three dimensional missile-target engagement, and those posed by the assumption of a realistic dynamic model such as time-varying missile speed, thrust, drag and mass, besides gravity, and upper bound on the lateral acceleration. The classic, pure proportional navigation law is augmented with a polynomial function of the heading error, and the values of the coefficients of the polynomial are determined using differential evolution (DE). The performance of the proposed DE enhanced guidance law is compared against the existing conventional laws in the literature, on the criteria of time and energy optimality, peak lateral acceleration demanded, terminal speed and robustness to unanticipated target maneuvers, to illustrate the superiority of the proposed law. (C) 2013 Elsevier B. V. All rights reserved.

The relationship between classification of multi-domain proteins using an alignment-free approach and their functions: a case study with immunoglobulins

Establishing functional relationships between multi-domain protein sequences is a non-trivial task. Traditionally, delineating functional assignment and relationships of proteins requires domain assignments as a prerequisite. This process is sensitive to alignment quality and domain definitions. In multi-domain proteins due to multiple reasons, the quality of alignments is poor. We report the correspondence between the classification of proteins represented as full-length gene products and their functions. Our approach differs fundamentally from traditional methods in not performing the classification at the level of domains. Our method is based on an alignment free local matching scores (LMS) computation at the amino-acid sequence level followed by hierarchical clustering. As there are no gold standards for full-length protein sequence classification, we resorted to Gene Ontology and domain-architecture based similarity measures to assess our classification. The final clusters obtained using LMS show high functional and domain architectural similarities. Comparison of the current method with alignment based approaches at both domain and full-length protein showed superiority of the LMS scores. Using this method we have recreated objective relationships among different protein kinase sub-families and also classified immunoglobulin containing proteins where sub-family definitions do not exist currently. This method can be applied to any set of protein sequences and hence will be instrumental in analysis of large numbers of full-length protein sequences.

Diffraction tomography from intensity measurements: an evolutionary stochastic search to invert experimental data

We develop iterative diffraction tomography algorithms, which are similar to the distorted Born algorithms, for inverting scattered intensity data. Within the Born approximation, the unknown scattered field is expressed as a multiplicative perturbation to the incident field. With this, the forward equation becomes stable, which helps us compute nearly oscillation-free solutions that have immediate bearing on the accuracy of the Jacobian computed for use in a deterministic Gauss-Newton (GN) reconstruction. However, since the data are inherently noisy and the sensitivity of measurement to refractive index away from the detectors is poor, we report a derivative-free evolutionary stochastic scheme, providing strictly additive updates in order to bridge the measurement-prediction misfit, to arrive at the refractive index distribution from intensity transport data. The superiority of the stochastic algorithm over the GN scheme for similar settings is demonstrated by the reconstruction of the refractive index profile from simulated and experimentally acquired intensity data. (C) 2014 Optical Society of America

B-Spline potential function for maximum a-posteriori image reconstruction in fluorescence microscopy

An iterative image reconstruction technique employing B-Spline potential function in a Bayesian framework is proposed for fluorescence microscopy images. B-splines are piecewise polynomials with smooth transition, compact support and are the shortest polynomial splines. Incorporation of the B-spline potential function in the maximum-a-posteriori reconstruction technique resulted in improved contrast, enhanced resolution and substantial background reduction. The proposed technique is validated on simulated data as well as on the images acquired from fluorescence microscopes (widefield, confocal laser scanning fluorescence and super-resolution 4Pi microscopy). A comparative study of the proposed technique with the state-of-art maximum likelihood (ML) and maximum-a-posteriori (MAP) with quadratic potential function shows its superiority over the others. B-Spline MAP technique can find applications in several imaging modalities of fluorescence microscopy like selective plane illumination microscopy, localization microscopy and STED. (C) 2015 Author(s).

Novel Biobjective Clustering (BiGC) Based on Cooperative Game Theory

We propose a new approach to clustering. Our idea is to map cluster formation to coalition formation in cooperative games, and to use the Shapley value of the patterns to identify clusters and cluster representatives. We show that the underlying game is convex and this leads to an efficient biobjective clustering algorithm that we call BiGC. The algorithm yields high-quality clustering with respect to average point-to-center distance (potential) as well as average intracluster point-to-point distance (scatter). We demonstrate the superiority of BiGC over state-of-the-art clustering algorithms (including the center based and the multiobjective techniques) through a detailed experimentation using standard cluster validity criteria on several benchmark data sets. We also show that BiGC satisfies key clustering properties such as order independence, scale invariance, and richness.

Theoretical and Experimental Evaluation of Pulsating Torque Produced by Induction Motor Drives Controlled With Advanced Bus-Clamping Pulsewidth Modulation

This paper investigates possible reduction of pulsating torque in open-loop and vector-controlled induction motor drives through deployment of certain advanced bus-clamping pulsewidth modulation (ABCPWM) method. Toward this goal, a simple and machine-independent method is proposed to analyze the torque harmonic spectrum of a voltage source inverter fed induction motor, operated with any real-time pulsewidth modulation (PWM) method. The analytically evaluated torque harmonic spectra, pertaining to conventional space vector PWM (CSVPWM), bus-clamping PWM (BCPWM), and ABCPWM, are validated through simulation and experimental results. Theoretical and experimental studies bring out the superiority of the ABCPWM in terms of torque harmonics over CSVPWM and BCPWM. The magnitude of the dominant torque harmonic with the ABCPWM scheme is shown to be significantly lower than that with CSVPWM, over a wide range of speed. The rms torque ripple (i.e., total rms value of all harmonic torques) is lower with ABCPWM than with BCPWM over the entire range of speed.

Three-Dimensional Network Model And Its Parameter Calibration

A material model, whose framework is parallel spring-bundles oriented in 3-D space, is proposed. Based on a discussion of the discrete schemes and optimum discretization of the solid angles, a 3-D network cell consisted of one-dimensional components is developed with its geometrical and physical parameters calibrated. It is proved that the 3-D network model is able to exactly simulate materials with arbitrary Poisson ratio from 0 to 1/2, breaking through the limit that the previous models in the literature are only suitable for materials with Poisson ratio from 0 to 1/3. A simplified model is also proposed to realize high computation accuracy within low computation cost. Examples demonstrate that the 3-D network model has particular superiority in the simulation of short-fiber reinforced composites.

Familia romana e identidad femenina en época de Augusto

Resumen: Hacia el 167 a.C., un joven Polibio, se sorprendía de que Roma hubiera podido afi rmar su poderío en la península, resistir los ataques cartagineses y acabar imponiendo sus leyes en Oriente. Probablemente –explica P. Grimal– en ello también haya infl uido que las costumbres y tradiciones romanas contribuían a asegurar una superioridad sobre el resto de las culturas y hacían de Roma una ciudad única entre todas. La familia y la mujer constituyeron parte fundamental dentro de la consolidación de esa estructura socio política y de ello heredaríamos, especialmente a nivel normativo, una sólida tradición jurídico-romana. Sin embargo, la época imperial representó un grave período de crisis en el cual, tomar esposa, dar hijos a la patria y controlar los patrimonios, se convirtió en una importante reafi rmación moral, jurídica y política para la sociedad de su tiempo. En esta forma, se analizarán brevemente algunos conceptos y leyes relevantes –cuyos ecos volveremos a encontrar refl ejados a lo largo y ancho de la España cristiana medieval– los cuales nos ayudarán a adentrarnos en la cotidianidad de este singular período, sus emancipadas mujeres aristocráticas y el derecho privado.

La falta de fortaleza y los síntomas neuróticos

Resumen: La virtud de la fortaleza se ocupa principalmente del temor de las cosas difíciles que pueden impedir que la voluntad obedezca a la razón. Pero no solo conteniendo el temor, sino también atacando con moderación. Estudiando los vicios contrarios a la virtud de la fortaleza podemos ver su similitud con los síntomas neuróticos. El temor es muy importante en los mismos, pues se evidencia una huída de la realidad, la cual es temida por no poder imponer su voluntad de dominio, y el miedo al fracaso. La vanagloria, es en la neurosis esa manifestación de la superioridad que A. Adler llama afán de sentimiento de personalidad, e indica la compensación que se hace con el sentimiento de inferioridad. La ambición es el rasgo principal de la neurosis según A. Adler y otros psiquiatras estudiosos del tema. También aparecen con frecuencia en la estructuración de la personalidad patológica: los vicios contrarios a la magnanimidad, la presunción, la pusilanimidad, la falta de paciencia y perseverancia en el bien, etc. La vida virtuosa, y especialmente la virtud de la fortaleza, es el fundamento de la salud mental.

Rendimiento y calidad de las interacciones sociocognitivas en díadas que trabajan colaborativamente en forma presencial y por chat

Resumen: En este trabajo se examina el rendimiento de estudiantes universitarios en razonamiento formal con y sin interacción social. La muestra N = 83 estuvo conformada por alumnos provenientes de dos universidades (UNMDP y UAA) quienes fueron asignados a dos condiciones: experimental con interacción (n = 40) y grupo control sin interacción (n = 43). El reactivo empleado consistió en una serie de pruebas del Test de Matrices Progresivas escala general y avanzada. Todos los participantes debieron resolver dichas tareas durante varias semanas: primero en forma individual (pretest), luego en forma colectiva presencial y por chat (díadas, condición experimental) y en forma individual (grupo control), y finalmente en forma individual (postest). Se registraron las interacciones que llevaron a cabo los participantes mediante videofilmación y logs del Chat. El rendimiento fue evaluado según la condición asignada: individual o grupal y en los últimos mediante una evaluación interjueces se estableció la calidad de las interacciones. Los resultados corroboran la superioridad de las díadas por sobre la performance individual; la reiteración en la fase de postest de aquellos ítems incorrectamente resueltos en el pretest más el agregado de nuevos ejercicios pusieron de relieve dos zonas de avance o de internalización de los progresos. En cuanto a la calidad de las interacciones, las mismas son coincidentes. Estos resultados abren nuevos interrogantes acerca del conflicto sociocognitivo y su papel para el avance grupal – individual.

Algunas notas sobre el papel de la mujer en Fontevraud y Santa María de Vega

Resumen: El papel relevante desempeñado por la mujer en la abadía real de Fontevraud y en el monasterio de Vega del Cea –priorato de aquellafue ¿síntoma o consecuencia? de un descubrimiento de la mujer en aquel siglo XII, pletórico de novedades, de raptos místicos, de nuevas formas de acercarse a la divinidad y de consecuentes reformas religiosas. En este trabajo esbozo algunas líneas interpretativas acerca de la hegemonía de la mujer sobre el hombre, superioridad que se hizo palpable en los dos cenobios estudiados, ejemplos de mutaciones que fueron interpretadas de forma desigual por los contemporáneos y por aquellos que más tarde abordaron el tema.

On the computation of space-time correlations by large-eddy simulation

The effect of subgrid-scale (SGS) modeling on velocity (space-) time correlations is investigated in decaying isotropic turbulence. The performance of several SGS models is evaluated, which shows superiority of the dynamic Smagorinsky model used in conjunction with the multiscale large-eddy simulation (LES) procedure. Compared to the results of direct numerical simulation, LES is shown to underpredict the (un-normalized) correlation magnitude and slightly overpredict the decorrelation time scales. This can lead to inaccurate solutions in applications such as aeroacoustics. The underprediction of correlation functions is particularly severe for higher wavenumber modes which are swept by the most energetic modes. The classic sweeping hypothesis for stationary turbulence is generalized for decaying turbulence and used to analyze the observed discrepancies. Based on this analysis, the time correlations are determined by the wavenumber energy spectra and the sweeping velocity, which is the square root of the total energy. Hence, an accurate prediction of the instantaneous energy spectra is most critical to the accurate computation of time correlations. (C) 2004 American Institute of Physics.

Comissão parlamentar de inquérito, representação proporcional e minoria parlamentar : estudo de caso

Verifica, por meio de estudo de caso, se o direito da Minoria de propor a criação de Comissões Parlamentares de Inquérito - CPIs - é usurpado pela composição das Comissões pelo sistema de representação proporcional, que dá à Maioria superioridade de votos nas decisões das CPIs. Analisa dados numéricos e de conteúdo das notas taquigráficas da chamada CPI da Crise do Tráfego Aéreo, para verificar o uso da palavra pelos membros de cada partido representado na Comissão, a votação das propostas oferecidas à CPI e o relatório final. Nos resultados apurados verifica-se que, apesar do contundente uso da palavra pela Minoria e dos requerimentos apresentados, visando responsabilizar órgãos do Governo Federal pela insuficiência na formação dos controladores de vôo e de equipamentos de controle, de irregularidades nos processos licitatórios para construção e manutenção de aeroportos, o resultado da votação é favorável ao Governo Federal pelo voto da Maioria governista.