Role of Vertex Index in Substructure Identification and Activity Prediction: A Study on Antitubercular Activity of a Series of Acid Alkyl Ester Derivatives

Tuberculosis (TB) is a life threatening disease caused due to infection from Mycobacterium tuberculosis (Mtb). That most of the TB strains have become resistant to various existing drugs, development of effective novel drug candidates to combat this disease is a need of the day. In spite of intensive research world-wide, the success rate of discovering a new anti-TB drug is very poor. Therefore, novel drug discovery methods have to be tried. We have used a rule based computational method that utilizes a vertex index, named `distance exponent index (D-x)' (taken x = -4 here) for predicting anti-TB activity of a series of acid alkyl ester derivatives. The method is meant to identify activity related substructures from a series a compounds and predict activity of a compound on that basis. The high degree of successful prediction in the present study suggests that the said method may be useful in discovering effective anti-TB compound. It is also apparent that substructural approaches may be leveraged for wide purposes in computer-aided drug design.

Highly efficient WO3-ZnO mixed oxides for photocatalysis

Monoclinic nanocuboid WO3 enhanced the photocatalyst efficiency of quasi nanobelt zinc oxide for dye degradation in the presence of visible light radiation. Combustion synthesized ZnO resulted in a belt-like morphology through in situ cluster formation of near spherical particles but homogenously disperses and strongly adheres to nanocuboid WO3 during physical mixing. Cationic methylene blue (MB) and anionic orange G (OG) undergo degradation through a charge transfer mechanism in the presence of WO3-ZnO (1 : 9 weight percentage ratio) mixture. The photocatalytic reaction was enhanced due to the reduction in the recombination of photogenerated electron-holes. The high degree of 90% degradation of both dyes is due to the activity of the mixed oxides, which is much higher than that obtained either with WO3 or ZnO individually.

Highly efficient WO3-ZnO mixed oxides for photocatalysis

Monoclinic nanocuboid WO3 enhanced the photocatalyst efficiency of quasi nanobelt zinc oxide for dye degradation in the presence of visible light radiation. Combustion synthesized ZnO resulted in a belt-like morphology through in situ cluster formation of near spherical particles but homogenously disperses and strongly adheres to nanocuboid WO3 during physical mixing. Cationic methylene blue (MB) and anionic orange G (OG) undergo degradation through a charge transfer mechanism in the presence of WO3-ZnO (1 : 9 weight percentage ratio) mixture. The photocatalytic reaction was enhanced due to the reduction in the recombination of photogenerated electron-holes. The high degree of 90% degradation of both dyes is due to the activity of the mixed oxides, which is much higher than that obtained either with WO3 or ZnO individually.

Room-temperature bandlike transport and Hall effect in a high-mobility ambipolar polymer

The advent of a new class of high-mobility semiconducting polymers opens up a window to address fundamental issues in electrical transport mechanism such as transport between localized states versus extended state conduction. Here, we investigate the origin of the ultralow degree of disorder (E-a similar to 16 meV) and the ``bandlike'' negative temperature (T) coefficient of the field effect electron mobility: mu(e)(FET) (T) in a high performance (mu(e)(FET) > 2.5 cm(2) V-1 s(-1)) diketopyrrolopyrrole based semiconducting polymer. Models based on the framework of mobility edge with exponential density of states are invoked to explain the trends in transport. The temperature window over which the system demonstrates delocalized transport was tuned by a systematic introduction of disorder at the transport interface. Additionally, the Hall mobility (mu(e)(Hall)) extracted from Hall voltage measurements in these devices was found to be comparable to field effect mobility (mu(e)(FET)) in the high T bandlike regime. Comprehensive studies with different combinations of dielectrics and semiconductors demonstrate the effectiveness of rationale molecular design, which emphasizes uniform-energetic landscape and low reorganization energy.

A Distributed TDMA Slot Scheduling Algorithm for Spatially Correlated Contention in WSNs

In WSNs the communication traffic is often time and space correlated, where multiple nodes in a proximity start transmitting simultaneously. Such a situation is known as spatially correlated contention. The random access method to resolve such contention suffers from high collision rate, whereas the traditional distributed TDMA scheduling techniques primarily try to improve the network capacity by reducing the schedule length. Usually, the situation of spatially correlated contention persists only for a short duration, and therefore generating an optimal or suboptimal schedule is not very useful. Additionally, if an algorithm takes very long time to schedule, it will not only introduce additional delay in the data transfer but also consume more energy. In this paper, we present a distributed TDMA slot scheduling (DTSS) algorithm, which considerably reduces the time required to perform scheduling, while restricting the schedule length to the maximum degree of interference graph. The DTSS algorithm supports unicast, multicast, and broadcast scheduling, simultaneously without any modification in the protocol. We have analyzed the protocol for average case performance and also simulated it using Castalia simulator to evaluate its runtime performance. Both analytical and simulation results show that our protocol is able to considerably reduce the time required for scheduling.

An Exponential Lower Bound for Homogeneous Depth Four Arithmetic Formulas

We show here a 2(Omega(root d.log N)) size lower bound for homogeneous depth four arithmetic formulas. That is, we give an explicit family of polynomials of degree d on N variables (with N = d(3) in our case) with 0, 1-coefficients such that for any representation of a polynomial f in this family of the form f = Sigma(i) Pi(j) Q(ij), where the Q(ij)'s are homogeneous polynomials (recall that a polynomial is said to be homogeneous if all its monomials have the same degree), it must hold that Sigma(i,j) (Number of monomials of Q(ij)) >= 2(Omega(root d.log N)). The above mentioned family, which we refer to as the Nisan-Wigderson design-based family of polynomials, is in the complexity class VNP. Our work builds on the recent lower bound results 1], 2], 3], 4], 5] and yields an improved quantitative bound as compared to the quasi-polynomial lower bound of 6] and the N-Omega(log log (N)) lower bound in the independent work of 7].

Tensile properties of thermally exposed aluminium borate whisker reinforced 6061 aluminium alloy composite

The effect of thermal exposure on the tensile properties of aluminium borate whisker reinforced 6061 aluminium alloy composite was studied. The interfacial reaction was investigated by TEM and the mechanical properties were studied using tensile tests. The results indicated that the interfacial reaction had an influence on the mechanical properties of the composite, so that the maxima of Young’s modulus and ultimate tensile strength of the composite after exposure at 500?C for 10 h were obtained for the optimum degree of interfacial reaction. The yield strength,however, was not only affected by the interfacial state but also by many other factors.

Vocación de poder : los abogados porteños a través de las colaciones de grado. 1884-1919

Resumen: El artículo trata sobre la formación de una fracción de la elite dirigente porteña en el paso del siglo xix al xx. La carrera de derecho siempre estuvo ligada al poder político y a la formación de la clase dirigente porteña. A través de los discursos de colación de grados de los doctores en jurisprudencia se busca indagar en los aspectos que los propios actores rescataban de su formación académica y su función social. Esta mirada tiene como objetivo destacar el rol de la Facultad de Derecho y Ciencias Sociales de la Universidad de Buenos Aires como canal de acceso privilegiado a la clase dirigente. Al tiempo se intenta observar como la preparación brindada en sus aulas no buscaba necesariamente la formación para el desempeño de la profesión de abogados sino que estaba orientada a la formación de dirigentes políticos.

Evaluación perceptivo auditiva de voces degradas y su correlación con medidas acústicas

Resumen: El objetivo es determinar utilizando las mediciones acústicas, qué información es más relevante para el oyente al momento de categorizar el grado general de disfonía. Se eligieron 8 (4 voces femeninas y 4 voces masculinas. Cada emisión fue evaluada auditivo perceptualmente a través del item G de la escala GRBAS por 10 oyentes experimentados y acústicamente mediante medidas de aperiodicidad, ruido y caos. El estudio estadístico de análisis discriminante señala la importancia de GNE, Jit y Jitter_cc y Lyapunov como parámetros predictores del grado general de disfonía. La aplicación del método k-means evidencia que existen rasgos en los parámetros acústicos empleados que permiten agrupar objetivamente las voces estudiadas con 100% de precisión para la clase 0, 96% a la clase 2 y 79% a la clase 3. Un mayor número y variabilidad de casos se necesita a fin de verificar los resultados preliminares.

Designing Of Partial Similarity Models And Evaluation Method In Polymer Flooding Experiment

Based on the scaling criteria of polymer flooding reservoir obtained in our previous work in which the gravity and capillary forces, compressibility, non-Newtonian behavior, absorption, dispersion, and diffusion are considered, eight partial similarity models are designed. A new numerical approach of sensitivity analysis is suggested to quantify the dominance degree of relaxed dimensionless parameters for partial similarity model. The sensitivity factor quantifying the dominance degree of relaxed dimensionless parameter is defined. By solving the dimensionless governing equations including all dimensionless parameters, the sensitivity factor of each relaxed dimensionless parameter is calculated for each partial similarity model; thus, the dominance degree of the relaxed one is quantitatively determined. Based on the sensitivity analysis, the effect coefficient of partial similarity model is defined as the summation of product of sensitivity factor of relaxed dimensionless parameter and its relative relaxation quantity. The effect coefficient is used as a criterion to evaluate each partial similarity model. Then the partial similarity model with the smallest effect coefficient can be singled out to approximate to the prototype. Results show that the precision of partial similarity model is not only determined by the number of satisfied dimensionless parameters but also the relative relaxation quantity of the relaxed ones.

A closure theory of intermittency of turbulence

The variational approach to the closure problem of turbulence theory, proposed in an earlier article [Phys. Fluids 26, 2098 (1983); 27, 2229 (1984)], is extended to evaluate the flatness factor, which indicates the degree of intermittency of turbulence. Since the flatness factor is related to the fourth moment of a turbulent velocity field, the corresponding higher-order terms in the perturbation solution of the Liouville equation have to be considered. Most closure methods discard these higher-order terms and fail to explain the intermittency phenomenon. The computed flatness factor of the idealized model of infinite isotropic turbulence ranges from 9 to 15 and has the same order of magnitude as the experimental data of real turbulent flows. The intermittency phenomenon does not necessarily negate the Kolmogorov k−5/3 inertial range spectrum. The Kolmogorov k−5/3 law and the high degree of intermittency can coexist as two consistent consequences of the closure theory of turbulence. The Kolmogorov 1941 theory [J. Fluid Mech. 62, 305 (1974)] cannot be disqualified merely because the energy dissipation rate fluctuates.

Optimal Correction for Guessing in Multiple-Choice Tests

Building on Item Response Theory we introduce students’ optimal behavior in multiple-choice tests. Our simulations indicate that the optimal penalty is relatively high, because although correction for guessing discriminates against risk-averse subjects, this effect is small compared with the measurement error that the penalty prevents. This result obtains when knowledge is binary or partial, under different normalizations of the score, when risk aversion is related to knowledge and when there is a pass-fail break point. We also find that the mean degree of difficulty should be close to the mean level of knowledge and that the variance of difficulty should be high.

Justicia victimal. Contribuciones y retos

[ES]La pena de cárcel, como única respuesta al delito, no constituye ninguna solución para el hecho delincuencial. No es solución para la víctima porque queda en el más profundo de los desamparos. No es solución para el infractor porque la cárcel no sólo no rehabilita sino que puede generar más delincuencia, como lo acredita el alto índice de reincidencia. Finalmente, no es una solución para la Comunidad por los altos costes, no sólo penitenciarios. Sólo integrada con otras respuestas no carcelarias, la respuesta prisional permite un abordaje sensato de la delincuencia. Se aboga, por ello, por una justicia que reconozca la existencia de otras instancias reparadoras como: la mediación, el arbitraje, el diálogo víctima - agresor, etc.

Age, growth and life history of Klamath River Basin steelhead trout (Onchorhynchus mykiss irideus) as determined from scale analysis

Adult steelhead (Oncorhynchus mykiss irideus) scales were analyzed from eight fall-run, two spring-run, and one winter-run stocks within the Klamath-Trinity River system, from 1981 through 1983, to provide basic information on age, growth, and life history. The higher degree of half-pounder occurrence of upper Klamath River steelhead stocks (86.7 to 100%) compared to Trinity River steelhead stocks (32.0 to 80.0%) was the major life history difference noted in scale analysis. Early life history was similar for all areas sampled with most juveniles (86.4%) remaining in freshwater during the first two years of life before migrating to sea. Repeat spawning ranged from 17.6 to 47.9% for fall-run, 40.0 to 63.6% for spring-run, and 31.1% for winter-run steelhead. Mean length of adults at first spawning was inversely related to percent half-pounder occurrence in each stock. Ages of returning spawners, back calculated lengths at various life stages, and growth information are presented. (PDF contains 22 pages)

Intermediate Macroeconomics : Self-evaluation exercises

This resource can be particularly helpful to students taking the Intermediate Macroeconomics course, which corresponds to the second year of the current Degree in Economics at the University of the Basque Country UPV/ EHU. The precise content of this resource is a collection of eight chapters of multiple-choice questions. For each question the user is asked to guess which the correct answer is. Finally, the tool will return all the correct answers for the whole test, thereby allowing the user to check the validity of his/her answers. A remarkable feature of the tool is that it has been edited in three versions, for the three languages (Spanish, Basque and English) in which the subject is taught at the UPV/EHU.