mu-Oxamido binuclear copper (II) complexes: Synthesis, crystal structure, DNA interaction and antibacterial studies

Four binuclear copper (II) complexes Cu(oxpn)Cu(B)](2+) (2-5) bridged by N, N'-bis3-(methylamino) propyl] oxamide (oxpn), where, B is N, N-donor heterocyclic bases (viz. 2,2'-bipyridine (bpy, 2), 1,10-phenathroline (phen, 3), dipyrido3,2-d:2',3'-f]quinoxaline (dpq, 4) and dipyrido3,2-a:2',3'-c]phenazine (dppz, 5) are synthesized, characterized by different spectroscopic and single crystal X-ray data technique. The phen (3) and dpq (4) complexes were structurally characterized by X-ray data analysis. Their DNA binding, oxidative cleavage and antibactirial activities were studied. The dpq (4) and dppz (5) complexes are avid binders to the Calf thymus DNA (CT-DNA). The phen (3), dpq (4) and dppz (5) complexes show efficient oxidative cleavage of supercoiled DNA (SC DNA) through hydroxyl radical ((OH)-O-center dot) pathway in the presence of Mercaptopropionic acid (MPA). (C) 2013 Elsevier Ltd. All rights reserved.

Ligational behaviour of (E)-2-amino-N ` -1-(2-hydroxyphenyl) ethylidene]benzohydrazide towards later 3d metal ions: X-ray crystal structure of nickel(IV) complex

Ligational behaviour of (E)-2-amino-N'-1-(2-hydroxyphenyl)ethylidene]benzohydrazide (Aheb) towards later 3d metal ionscopper(II), cobalt(II), manganese(II), zinc(II), cadmium(II) and nickel(IV)] has been studied. Their structures have been elucidated on the basis of spectral (IR, H-1 NMR, UV-Vis, EPR and FAB-mass), elemental analyses, conductance measurements, magnetic moments, and thermal studies. During complexation Ni(II) ion has got oxidized to Ni(IV). The changes in the bond parameters of the ligand on complexation has been discussed by comparing the crystal structure of the ligand with that of its Ni(IV) complex. The X-ray single crystal analysis of Ni(aheb)(2)]Cl-2 center dot 4H(2)O has confirmed an octahedral geometry around the metal ion. EPR spectra of the Cu(II) complex in polycrystalline state at room (300 K) and liquid nitrogen temperature (77 K) were recorded and their salient features are reported. (C) 2014 Elsevier B.V. All rights reserved.

Orientation, Size, and Temperature Dependent Ductile Brittle Transition in NiAl Nanowire under Tensile Loading - A Molecular Dynamics Study

In the present paper, thermo-mechanical response of B2-NiAl nanowire along the < 100 >, < 110 >, and < 111 > orientations has been studied using molecular dynamics simulations. Nanowire with cross-sectional dimensions of similar to 20x20 angstrom(2), similar to 25x25 angstrom(2), and similar to 30x30 angstrom(2) and temperature range of 10 K-900 K has been considered. A Combined effect of size, orientation, and temperature on the stress-strain behavior under uniaxial tensile loading has been presented. It has been observed that < 111 > oriented NiAl nanowire that is energetically most stable gives highest yield stress which further reduces with < 110 > and < 100 > orientations. A remarkable ductile brittle transition (DBT) with an increase in temperature has also been reported for all the orientations considered in the present study. The DBT observed for the nanowire has also been compared with the reported DBT of bulk B2-NiAl obtained from experiments. Alternate technique has also been proposed to increase the toughness of a given material especially at lower temperature regions, i.e. below DBT.

Role of Cu2+ ions substitution in magnetic and conductivity behavior of nano-CoFe2O4

Cobalt copper ferrite nanopowders with composition Co1-xCu5Fe2O4 (0.0 <= x <= 0.5) was synthesized by solution combustion method. The powder X-ray diffraction studies reveal the formation of single ferrite phase with particle size of similar to 11-35 nm. Due to increase in electron density with in a material, X-ray density increase with increase of Cu2+ ions concentration. As Cu2+ ions concentration increases, saturation magnetization decreases from 38.5 to 26.7 emu g(-1). Further, the squareness ratio was found to be similar to 0.31-0.46 which was well below the typical value 1, which indicates the existence of single domain isolated ferrimagnetic samples. The dielectric and electrical modulus was studied over a frequency range of 1 Hz to 1 MHz at room temperature using the complex impedance spectroscopy technique. Impedance plots showed only one semi-circle which corresponds to the contributions of grain boundaries. The lower values of dielectric loss at higher frequency region may be quite useful for high frequency applications such as microwave devices. (C) 2014 Elsevier B.V. All rights reserved.

Electron microscopy of Ag-(Ni-O) core-shell nanowires

This report provides information about an electrodeposition based two-step synthesis methodology for producing core-shell Ag-(Ni-O) nanowires and their detailed structural and compositional characterization using electron microscopy technique. Nanowires were produced by employing anodic alumina templates with a pore diameter of 200 nm. In the first step of the synthesis process, nanocrystalline Ni-O was electrodeposited in a controlled manner such that it heterogeneously nucleated and grew only on the template pore walls without filling the pores from bottom upwards. This alumina template with pore walls coated with Ni-O was then utilized as a template during the electrodeposition of Ag in the second step. Electrodeposited Ag filled the template pores to finally produce Ag-(Ni-O) core-shell nanowires with an overall diameter of 200 nm.

Vertex Cover Gets Faster and Harder on Low Degree Graphs

The problem of finding an optimal vertex cover in a graph is a classic NP-complete problem, and is a special case of the hitting set question. On the other hand, the hitting set problem, when asked in the context of induced geometric objects, often turns out to be exactly the vertex cover problem on restricted classes of graphs. In this work we explore a particular instance of such a phenomenon. We consider the problem of hitting all axis-parallel slabs induced by a point set P, and show that it is equivalent to the problem of finding a vertex cover on a graph whose edge set is the union of two Hamiltonian Paths. We show the latter problem to be NP-complete, and also give an algorithm to find a vertex cover of size at most k, on graphs of maximum degree four, whose running time is 1.2637(k) n(O(1)).

Precipitation response of the magnesium alloy WE43 in strained and unstrained conditions

The precipitation behavior of the magnesium alloy WE43 (Mg-4%Y-2.3%Nd-0.5%Zr) has been studied in strained and unstrained conditions using Transmission Electron Microscopy (TEM). Ageing treatments were carried out at three temperatures, namely 210 degrees C, 230 degrees C and 260 degrees C. The precipitation sequence during static aging of solution treated (ST) samples has been identified as ST —> beta'' —> beta' followed by the formation of beta(1) and equilibrium beta precipitates form after very long ageing periods. Dynamic precipitation was observed during high temperature deformation, leading to the formation of beta' and intermediate beta(1) precipitates. The strained samples, when further heat treated, resulted in the transformation of beta(1) into beta equilibrium precipitates. The sequence of dynamic precipitation is ST —> beta(1) —> beta and ST —> beta'. (C) 2014 Elsevier B.V. All rights reserved.

Calcium binding properties of calcium dependent protein kinase 1 (CaCDPK1) from Cicer arietinum

Calcium plays a crucial role as a secondary messenger in all aspects of plant growth, development and survival. Calcium dependent protein kinases (CDPKs) are the major calcium decoders, which couple the changes in calcium level to an appropriate physiological response. The mechanism by which calcium regulates CDPK protein is not well understood. In this study, we investigated the interactions of Ca2+ ions with the CDPK1 isoform of Cicer arietinum (CaCDPK1) using a combination of biophysical tools. CaCDPK1 has four different EF hands as predicted by protein sequence analysis. The fluorescence emission spectrum of CaCDPK1 showed quenching with a 5 nm red shift upon addition of calcium, indicating conformational changes in the tertiary structure. The plot of changes in intensity against calcium concentrations showed a biphasic curve with binding constants of 1.29 mu M and 120 mu M indicating two kinds of binding sites. Isothermal calorimetric (ITC) titration with CaCl2 also showed a biphasic curve with two binding constants of 0.027 mu M and 1.7 mu M. Circular dichroism (CD) spectra showed two prominent peaks at 208 and 222 nm indicating that CaCDPK1 is a alpha-helical rich protein. Calcium binding further increased the alpha-helical content of CaCDPK1 from 75 to 81%. Addition of calcium to CaCDPK1 also increased fluorescence of 8-anilinonaphthalene-1-sulfonic acid (ANS) indicating exposure of hydrophobic surfaces. Thus, on the whole this study provides evidence for calcium induced conformational changes, exposure of hydrophobic surfaces and heterogeneity of EF hands in CaCDPK1. (C) 2015 Elsevier GmbH. All rights reserved.

Prediction of Land Surface Temperature under Cloudy Conditions using Microwave Remote Sensing and ANN

Land surface temperature (LST) is an important variable in climate, hydrologic, ecological, biophysical and biochemical studies (Mildrexler et al., 2011). The most effective way to obtain LST measurements is through satellites. Presently, LST from moderate resolution imaging spectroradiometer (MODIS) sensor is applied in various fields due to its high spatial and temporal availability over the globe, but quite difficult to provide observations in cloudy conditions. This study evolves of prediction of LST under clear and cloudy conditions using microwave vegetation indices (MVIs), elevation, latitude, longitude and Julian day as inputs employing an artificial neural network (ANN) model. MVIs can be obtained even under cloudy condition, since microwave radiation has an ability to penetrate through clouds. In this study LST and MVIs data of the year 2010 for the Cauvery basin on a daily basis were obtained from MODIS and advanced microwave scanning radiometer (AMSR-E) sensors of aqua satellite respectively. Separate ANN models were trained and tested for the grid cells for which both LST and MVI were available. The performance of the models was evaluated based on standard evaluation measures. The best performing model was used to predict LST where MVIs were available. Results revealed that predictions of LST using ANN are in good agreement with the observed values. The ANN approach presented in this study promises to be useful for predicting LST using satellite observations even in cloudy conditions. (C) 2015 The Authors. Published by Elsevier B.V.

Molecular and Functional Characterization of RecD, a Novel Member of the SF1 Family of Helicases, from Mycobacterium tuberculosis

Background: The heterotrimeric M. tuberculosis RecBCD complex, or each of its individual subunits, remains uncharacterized. Results: MtRecD exists as a homodimer in solution, catalyzes ssDNA-dependent ATP hydrolysis, unwinding of DNA replication/recombination intermediates, and interacts with RecA. Conclusion: MtRecD possesses strong 5 3- and weak 3 5-helicase activities. Significance: These findings provide insights into the mechanism underlying DSB repair and homologous recombination in mycobacteria. The annotated whole-genome sequence of Mycobacterium tuberculosis revealed the presence of a putative recD gene; however, the biochemical characteristics of its encoded protein product (MtRecD) remain largely unknown. Here, we show that MtRecD exists in solution as a stable homodimer. Protein-DNA binding assays revealed that MtRecD binds efficiently to single-stranded DNA and linear duplexes containing 5 overhangs relative to the 3 overhangs but not to blunt-ended duplex. Furthermore, MtRecD bound more robustly to a variety of Y-shaped DNA structures having 18-nucleotide overhangs but not to a similar substrate containing 5-nucleotide overhangs. MtRecD formed more salt-tolerant complexes with Y-shaped structures compared with linear duplex having 3 overhangs. The intrinsic ATPase activity of MtRecD was stimulated by single-stranded DNA. Site-specific mutagenesis of Lys-179 in motif I abolished the ATPase activity of MtRecD. Interestingly, although MtRecD-catalyzed unwinding showed a markedly higher preference for duplex substrates with 5 overhangs, it could also catalyze significant unwinding of substrates containing 3 overhangs. These results support the notion that MtRecD is a bipolar helicase with strong 5 3 and weak 3 5 unwinding activities. The extent of unwinding of Y-shaped DNA structures was approximate to 3-fold lower compared with duplexes with 5 overhangs. Notably, direct interaction between MtRecD and its cognate RecA led to inhibition of DNA strand exchange promoted by RecA. Altogether, these studies provide the first detailed characterization of MtRecD and present important insights into the type of DNA structure the enzyme is likely to act upon during the processes of DNA repair or homologous recombination.

Plant reproductive traits mediate tritrophic feedback effects within an obligate brood-site pollination mutualism

Plants, herbivores and parasitoids affect each other directly and indirectly; however, feedback effects mediated by host plant traits have rarely been demonstrated in these tritrophic interactions. Brood-site pollination mutualisms (e.g. those involving figs and fig wasps) represent specialised tritrophic communities where the progeny of mutualistic pollinators and of non-mutualistic gallers (both herbivores) together with that of their parasitoids develop within enclosed inflorescences called syconia (hence termed brood-sites or microcosms). Plant reproductive phenology (which affects temporal brood-site availability) and inflorescence size (representing brood-site size) are plant traits that could affect reproductive resources, and hence relationships between trees, pollinators and non-pollinating wasps. Analysing wasp and seed contents of syconia, we examined direct, indirect, trophic and non-trophic relationships within the interaction web of the fig-fig wasp community of Ficus racemosa in the context of brood site size and availability. We demonstrate that in addition to direct resource competition and predator-prey (host-parasitoid) interactions, these communities display exploitative or apparent competition and trait-mediated indirect interactions. Inflorescence size and plant reproductive phenology impacted plant-herbivore and plant-parasitoid associations. These plant traits also influenced herbivore-herbivore and herbivore-parasitoid relationships via indirect effects. Most importantly, we found a reciprocal effect between within-tree reproductive asynchrony and fig wasp progeny abundances per syconium that drives a positive feedback cycle within the system. The impact of a multitrophic feedback cycle within a community built around a mutualistic core highlights the need for a holistic view of plant-herbivore-parasitoid interactions in the community ecology of mutualisms.

A systematic asymptotic approach to determine the dispersion characteristics of structural-acoustic waveguides with arbitrary fluid loading

Structural-acoustic waveguides of two different geometries are considered: a 2-D rectangular and a circular cylindrical geometry. The objective is to obtain asymptotic expansions of the fluid-structure coupled wavenumbers. The required asymptotic parameters are derived in a systematic way, in contrast to the usual intuitive methods used in such problems. The systematic way involves analyzing the phase change of a wave incident on a single boundary of the waveguide. Then, the coupled wavenumber expansions are derived using these asymptotic parameters. The phase change is also used to qualitatively demarcate the dispersion diagram as dominantly structure-originated, fluid originated or fully coupled. In contrast to intuitively obtained asymptotic parameters, this approach does not involve any restriction on the material and geometry of the structure. The derived closed-form solutions are compared with the numerical solutions and a good match is obtained. (C) 2016 Elsevier Ltd. All rights reserved.

Insectos y enemigos naturales asociados que colonizan troncos de pino en el municipio de San Fernando, Nueva Segovia, 2009

Con el objetivo de conocer los insectos que colonizan troncos cortados de pino y sus enemigos naturales asociados, se realizó el presente estudio en tres sitios: la Unión, Las Tapias y San José del municipio de San Fernando en Nueva Segovia durante el periodo comprendido entre Diciembre 06 a Mayo 07. Varios tipos de insectos descortezadores, barrenadores y descomponedores de la madera a ser: Ips sp, Xyleborus sp, Lochmaeocles sp y termites fueron encontrados. Comparativamente Ips sp fue mas abundante en el sitio Las Tapias con un total de 179 emergencias, que representó el 44,58 % de los Ips sp que emergieron de los tres sitios de estudio. Asociados a Ips sp tres tipos de enemigos naturales fueron encontrados: el depredador Medetera sp (Diptera: Dolich opodidae), el parasitoide Heterospilus sp (Hymenoptera: Braconidae) y un parasitoide de identificado (Hymenoptera: Eulophidae). En los tres sitios de estudio el depredador Medetera sp fue el más abundante con 170 individuos que representaron el 88,54 % del total de todos los parasitoides emergidos en los tres sitios. El periodo y patrón de emergencia de Ips sp y los tres enemigos naturales observados fue similar para los tres sitios de estudio. La referencia de los dos parasitoides observados constituye la primera referencia de estos insectos afectando insectos descortezadores en Nicaragua, así también lo constituye la primer referencia del cerambicido Lochmaeocles sp como colonizador de trozas de pino en nuestro país.

Efecto de la sombra y fertilización sobre el crecimiento, estructura productiva, rendimiento y calidad del café (Coffea arabica) vr. Costa Rica 95

El ensayo se realizó en la Finca San Francisco, propiedad de Inversiones Generales S. A., ubicada en el km 39 ½ de la carretera San Marcos, Carazo, desde agosto del 2002 hasta junio del 2004, un estudio cuyo objetivo general fue evaluar tres sistemas de manejo del café sobre el crecimiento, estructura productiva, acumulación de biomasa y nitrógeno en la planta; producción y calidad del grano de café. El ensayo se estableció en tres franjas cuyos tratamientos correspondieron a: a) Café bajo sombra de madero negro (Glericidia sepium jacquin kunth ex walpers) y fertilización química, b) Café a plena explosión solar y fertilización química y c) Café bajo sombra sin fertilización. En cada parcela se seleccionaron 48 plantas de las cuales se tomaron 8 plantas en cada una de las 6 fechas para realizar las mediciones correspondientes. Una muestra de café oro por tratamiento de cada una de las cosechas de cada año fue tomada y enviada a laboratorio de CERCAFENIC de UNICAFE en Managua para determinar los aspectos físicos y organolépticos.Empleando el método destructivo se midió la biomasa y cantidad de Nitrógeno acumulado en laraíz, tallo, ramas, hojas y frutos de cada una de las 8 plantas seleccionadas por fecha. Las variables de crecimiento y rendimiento se presentan a través de figuras y la acumulación de biomasa en los diferentes componentes de la planta de café se explica de acuerdo a resultados de la prueba de t-stundent.Para los meses junio 2003, septiembre 2003, diciembre 2003, y junio 2004 el sistema café sombra con fertilizante obtuvo la mayor altura con 166, 170.25, 179.87 y 204 cm respectivamente mientras este mismo tratamiento en el mes de diciembre 2003 obtuvo el mayor diámetro con 4.87 cm, en septiembre y diciembre 2003 obtuvo una mayor proyección de copa con 2.63 y 2.46m, el mayor números de nudos totales lo obtuvo en diciembre 2003 con 42.50 el mayor número de ramas primarias totales se encontraron en diciembre 2003 con 74.87 y las terciarias totales en diciembre 2002 con 11.50, el mayor número de ramas terciarias productivas se encontraron en junio 2003 con 6, estas en el sistema café a pleno sol. En agosto del 2002 las plantas del sistema café sombra sin fertilizante presentaron la mayor biomasa de raíces con 21.75%; mayor contenido de nitrógeno en raíces con 19.73%; en hojas con 52.02% y en tallos con 8.71% el sistema café a pleno sol obtuvo la mayor biomasa del tallo con 18.87%, en septiembre 2003, el sistema a pleno sol obtuvo la mayor biomasa de raíces con 20.49% en cambio para el junio 2004 el mayor contenido de biomasa fue para el tallo en el sistema café sombra sin fertilizante con 27.63% y el mayor cantidad total de nitrógeno fue para las hojas en el sistema café sombra con fertilizante con 38.41%. El sistema de café sombra sin fertilizante obtuvo el mayor rendimiento en el 2002 con 438 kg oro ha–1 y el sistema a pleno sol obtuvo el mayor rendimiento en 2003 con 2952 kg oro ha–1 . La calidad 2003 fue buena en los tres sistemas pero la cosecha seis para los tres tratamientos presento una taza OK, tipo SHG y calidad como café lavado Matagalpa /Jinotega o estrictamente de altura.