Preparation of zinc oxide coatings by using newly designed metal-organic complexes of Zn: Effect of molecular structure of the precursor and surfactant over the crystallization, growth and luminescence

We report large scale deposition of tapered zinc oxide (ZnO) nanorods on Si(100) substrate by using newly designed metal-organic complex of zinc (Zn) as the precursor, and microwave irradiation assisted chemical synthesis as a process. The coatings are uniform and high density ZnO nanorods (similar to 1.5 mu m length) grow over the entire area (625 mm(2)) of the substrate within 1-5 min of microwave irradiation. ZnO coatings obtained by solution phase deposition yield strong UV emission. Variation of the molecular structure/molecular weight of the precursors and surfactants influence the crystallinity, morphology, and optical properties of ZnO coatings. The precursors in addition with the surfactant and the solvent are widely used to obtain desired coating on any substrate. The growth mechanism and the schematics of the growth process of ZnO coatings on Si(100) are discussed. (c) 2013 Elsevier B.V. All rights reserved.

Studies on thin film based flexible gold electrode arrays for resistivity imaging in electrical impedance tomography

Practical phantoms are essential to assess the electrical impedance tomography (EIT) systems for their validation, calibration and comparison purposes. Metal surface electrodes are generally used in practical phantoms which reduce the SNR of the boundary data due to their design and development errors. Novel flexible and biocompatible gold electrode arrays of high geometric precision are proposed to improve the boundary data quality in EIT. The flexible gold electrode arrays are developed on flexible FR4 sheets using thin film technology and practical gold electrode phantoms are developed with different configurations. Injecting a constant current to the phantom boundary the surface potentials are measured by a LabVIEW based data acquisition system and the resistivity images are reconstructed in EIDORS. Boundary data profile and the resistivity images obtained from the gold electrode phantoms are compared with identical phantoms developed with stainless steel electrodes. Surface profilometry, microscopy and the impedance spectroscopy show that the gold electrode arrays are smooth, geometrically precised and less resistive. Results show that the boundary data accuracy and image quality are improved with gold electrode arrays. Results show that the diametric resistivity plot (DRP), contrast to noise ratio (CNR), percentage of contrast recovery (PCR) and coefficient of contrast (COC) of reconstructed images are improved in gold electrode phantoms. (C) 2013 Elsevier Ltd. All rights reserved.

Anthracene-Containing Conjugated Polymer Showing Four Optical Transitions Upon Doping: A Spectroscopic Study

An anthracene-containing poly(arylene-ethynylene)-alt-poly(arylene-vinylene) (PAE-PAV) of general constitutional unit (PhCCAnthrCCPhCHCHAnthrCHCH)(n) bearing two 2-ethylhexyloxy solubilizing side chains on each phenylene (Ph) unit has been synthesized and characterized. The basic electrochemical characterization was done, showing the existence of two non-reversible oxidation and one reversible reduction peaks. The optical properties, the real and imaginary part of the dielectric function, were probed using spectroscopic ellipsometry (SE). The vibrational structure of the undoped/doped polymer was investigated using Fourier transformed infrared spectroscopy. A strong change in the polaronic absorption was observed during the doping, which after modeling revealed the existence of two separated transitions. The optical changes upon doping were additionally recorded using the SE technique. Similar to the results from FT-IR spectroscopy, two new in-the-gap absorptions were found. Moreover, the electrical conductivity as well as the mobility of positive carriers were measured. In the undoped state, the conductivity of the polymer was found to be below the detection limit (

Estimation of the 2.0(5) helix type i -> i hydrogen bond energy at Aib*-Oxa motif: an isodesmic approach

Bending at the valence angle N-C-alpha-C' (tau) is a known control feature for attenuating the stability of the rare intramolecular hydrogen bonded pseudo five-membered ring C-5 structures, the so called 2.0(5) helices, at Aib. The competitive 3(10)-helical structures still predominate over the C5 structures at Aib for most values of tau. However at Aib*, a mimic of Aib where the carbonyl 0 of Aib is replaced with an imidate N (in 5,6-dihydro-4H-1,3-oxazine = Oxa), in the peptidomimic Piv-Pro-Aib*-Oxa (1), the C(5)i structure is persistent in both crystals and in solution. Here we show that the i -> i hydrogen bond energy is a more determinant control for the relative stability of the C5 structure and estimate its value to be 18.5 +/- 0.7 kJ/mol at Aib* in 1, through the computational isodesmic reaction approach, using two independent sets of theoretical isodesmic reactions. (C) 2014 Elsevier Ltd. All rights reserved.

Some Thermodynamic Aspects of the Oxides of Chromium

To understand Cr emissions from slag melts to a vapor phase, an assessment of the stabilities of the chromium oxides at high temperatures has been carried out. The objective of the present study is to present a set of consistent data corresponding to the thermodynamic properties of the oxides of chromium, with special reference to the emission of hexavalent chromium from slags. In the current work, critical analysis of the experimental data available and a third analysis in the case of Cr2O3 have been carried out. Commercial databases, Fact Sage and ThermoCalc along with NIST-JANAF Thermochemical Tables, have been used for the analysis and comparisons of the results that are presented. The significant discrepancies in the available data have been pointed out. The data from NIST-JANAF Thermochemical Tables have been found to provide a set of consistent data for the various chromium oxides. An Ellingham diagram and the equations for the Delta G degrees (standard Gibbs free energy change) of formation of CrOx have been proposed. The present analysis shows that CrO3(g) is likely to be emitted from slag melts at high oxygen partial pressures. (C) The Minerals, Metals & Materials Society and ASM International 2014

Magnetism and superconductivity in Sb-doped binary and ternary iron chalcogenide single crystals

We report the single crystal growth of antimony doped Fe1+yTe and Fe1+yTe0.5Se0.5 (Fe1+ySbxTe1-x (x=0, 2%, 5%) and Fe1+yTe0.49Se0.49Sb0.02) by a modified horizontal Bridgman method. Growth parameters are optimized to obtain high quality single crystals. The antiferromagnetic (AFM) transition at T-N = 62.2 K which is a first order transition, shifts to lower temperature on doping in Fe1+yTe. Alternately when the chalcogen site of the ternary compound Fe1+yTe0.5Se0.5 is doped with Sb, superconductivity is preserved albeit the superconducting transition temperature (T-C) falls slightly and a concomitant reduction occurs in superconducting volume fraction. (C) 2013 Elsevier B.V. All rights reserved,

Luminescence studies and EPR investigation of derived Eu doped ZnO

ZnO:Eu (0.1 mol%) nanopowders have been synthesized by auto ignition based low temperature solution combustion method. Powder X-ray diffraction (PXRD) patterns confirm the nanosized particles which exhibit hexagonal wurtzite structure. The crystallite size estimated from Scherrer's formula was found to be in the range 35-39 nm. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) studies reveal particles are agglomerated with quasi-hexagonal morphology. A blue shift of absorption edge with increase in band gap is observed for Eu doped ZnO samples. Upon 254 nm excitation, ZnO:Eu nanopowders show peaks in regions blue (420-484 nm), green (528 nm) and red (600 nm) which corresponds to both Eu2+ and Eu3+ ions. The electron paramagnetic resonance (EPR) spectrum exhibits a broad resonance signal at g= 4.195 which is attributed to Eu2+ ions. Further, EPR and thermo-luminescence (TL) studies reveal presence of native defects in this phosphor. Using TL glow peaks the trap parameters have been evaluated and discussed. (C) 2014 Elsevier B.V. All rights reserved.

Structural, thermal and quantum chemical studies of p-coumaric and caffeic acids

Two hydroxycinnamic acids viz., p-coumaric, and caffeic acids have been extracted and purified from Parthenium hysterophorus, subsequently characterized by elemental analysis, FT-IR, NMR, single crystal X-ray crystallography. The optimized structures of these acids were calculated in terms of density functional theory by Gaussian 09. The validation of experimental and theoretically obtained data for structural parameters such as bond lengths and bond angles has have been carried out to analyze the statistical significance by curve fitting analysis and the values of correlation coefficient found to be 0.985, 0.992, and 0.984, 0.975 in p-coumaric, and caffeic acids, respectively. The calculated HOMO and LUMO energies show the eventual charge transfer interaction within the molecule. Thermal studies were also carried out by thermogravimetry (TG), differential thermogravimetric analysis (DTA), and derivative thermogravimetry (DTG). (C) 2014 Elsevier B.V. All rights reserved.

Rainbow matchings in strongly edge-colored graphs

A rainbow matching of an edge-colored graph G is a matching in which no two edges have the same color. There have been several studies regarding the maximum size of a rainbow matching in a properly edge-colored graph G in terms of its minimum degree 3(G). Wang (2011) asked whether there exists a function f such that a properly edge-colored graph G with at least f (delta(G)) vertices is guaranteed to contain a rainbow matching of size delta(G). This was answered in the affirmative later: the best currently known function Lo and Tan (2014) is f(k) = 4k - 4, for k >= 4 and f (k) = 4k - 3, for k <= 3. Afterwards, the research was focused on finding lower bounds for the size of maximum rainbow matchings in properly edge-colored graphs with fewer than 4 delta(G) - 4 vertices. Strong edge-coloring of a graph G is a restriction of proper edge-coloring where every color class is required to be an induced matching, instead of just being a matching. In this paper, we give lower bounds for the size of a maximum rainbow matching in a strongly edge-colored graph Gin terms of delta(G). We show that for a strongly edge-colored graph G, if |V(G)| >= 2 |3 delta(G)/4|, then G has a rainbow matching of size |3 delta(G)/4|, and if |V(G)| < 2 |3 delta(G)/4|, then G has a rainbow matching of size |V(G)|/2] In addition, we prove that if G is a strongly edge-colored graph that is triangle-free, then it contains a rainbow matching of size at least delta(G). (C) 2015 Elsevier B.V. All rights reserved.

Regeneration of Juvenile Woody Plants after Fire in a Seasonally Dry Tropical Forest of Southern India

Woody tree species in seasonally dry tropical forests are known to have traits that help them to recover from recurring disturbances such as fire. Two such traits are resprouting and rapid post-fire growth. We compared survival and growth rates of regenerating small-sized individuals (juveniles) of woody tree species after dry season fire (February-March) at eight adjacent pairs of burnt and unburnt transects in a seasonally dry tropical forest in southern India. Juveniles were monitored at 3-mo intervals between August 2009 and August 2010. High juvenile survivorship (>95%) was observed in both burnt and unburnt areas. Growth rates of juveniles, analyzed at the community level as well as for a few species individually (especially fast-growing ones), were distinctly higher in burnt areas compared to unburnt areas after a fire event, particularly during the pre-monsoon season immediately after a fire. Rapid growth by juveniles soon after a fire may be due to lowered competition from other vegetative forms such as grasses, possibly aided by the availability of resources stored belowground. Such an adaptation would allow a juvenile bank to be retained in the understory of a dry forest, from where individuals can grow to a possible fire-tolerant size during favorable conditions.

New structural forms of a mycobacterial adenylyl cyclase Rv1625c

Rv1625c is one of 16 adenylyl cyclases encoded in the genome of Mycobacterium tuberculosis. In solution Rv1625c exists predominantly as a monomer, with a small amount of dimer. It has been shown previously that the monomer is active and the dimeric fraction is inactive. Both fractions of wild-type Rv1625c crystallized as head-to-head inactive domain-swapped dimers as opposed to the head-to-tail dimer seen in other functional adenylyl cyclases. About half of the molecule is involved in extensive domain swapping. The strain created by a serine residue located on a hinge loop and the crystallization condition might have led to this unusual domain swapping. The inactivity of the dimeric form of Rv1625c could be explained by the absence of the required catalytic site in the swapped dimer. A single mutant of the enzyme was also generated by changing a phenylalanine predicted to occur at the functional dimer interface to an arginine. This single mutant exists as a dimer in solution but crystallized as a monomer. Analysis of the structure showed that a salt bridge formed between a glutamate residue in the N-terminal segment and the mutated arginine residue hinders dimer formation by pulling the N-terminal region towards the dimer interface. Both structures reported here show a change in the dimerization-arm region which is involved in formation of the functional dimer. It is concluded that the dimerization arm along with other structural elements such as the N-terminal region and certain loops are vital for determining the oligomeric nature of the enzyme, which in turn dictates its activity.

A simplified model for dark matter interacting primarily with gluons

We consider a simple renormalizable model providing a UV completion for dark matter whose interactions with the Standard Model are primarily via the gluons. The model consists of scalar dark matter interacting with scalar colored mediator particles. A novel feature is the fact that (in contrast to more typical models containing dark matter whose interactions are mediated via colored scalars) the colored scalars typically decay into multi-quark final states, with no associated missing energy. We construct this class of models and examine associated phenomena related to dark matter annihilation, scattering with nuclei, and production at colliders.

Mycobacteria-responsive sonic hedgehog signaling mediates programmed death-ligand 1-and prostaglandin E-2-induced regulatory T cell expansion

CD4(+)CD25(+)FoxP3(+) regulatory T cells (Tregs) are exploited by mycobacteria to subvert the protective host immune responses. The Treg expansion in the periphery requires signaling by professional antigen presenting cells and in particularly dendritic cells (DC). However, precise molecular mechanisms by which mycobacteria instruct Treg expansion via DCs are not established. Here we demonstrate that mycobacteria-responsive sonic hedgehog (SHH) signaling in human DCs leads to programmed death ligand-1 (PD-L1) expression and cyclooxygenase (COX)-2-catalyzed prostaglandin E-2 (PGE(2)) that orchestrate mycobacterial infection-induced expansion of Tregs. While SHH-responsive transcription factor GLI1 directly arbitrated COX-2 transcription, specific microRNAs, miR-324-5p and miR-338-5p, which target PD-L1 were downregulated by SHH signaling. Further, counter-regulatory roles of SHH and NOTCH1 signaling during mycobacterial-infection of human DCs was also evident. Together, our results establish that Mycobacterium directs a fine-balance of host signaling pathways and molecular regulators in human DCs to expand Tregs that favour immune evasion of the pathogen.