Structural and dielectric properties of Bi2NbxVi−xO5.5 ceramics

Bi2Nbx V1−xO5.5 ceramics with x ranging from 0.01 to 0.5 have been prepared. The crystal system transforms from an orthorhombic to tetragonal at x 3= 0.1 and it persists until x = 0.5. Scanning electron microscopic (SEM) investigations carried out on thermally etched Bi2NbxV1−xO5.5 ceramics confirm that the grain size decreases markedly (18 μm to 4 μm) with increasing x. The shift in the Curie temperature (725 K) toward lower temperatures, with increasing x, is established by Differential Scanning Calorimetry (DSC). The dielectric constants as well as the loss tangent (tan δ) decrease with increasing x at room temperature.

On synthesis of easily testable (k, K) circuits

A (k-, K) circuit is one which can be decomposed into nonintersecting blocks of gates where each block has no more than K external inputs, such that the graph formed by letting each block be a node and inserting edges between blocks if they share a signal line, is a partial k-tree. (k, K) circuits are special in that they have been shown to be testable in time polynomial in the number of gates in the circuit, and are useful if the constants k and K are small. We demonstrate a procedure to synthesise (k, K) circuits from a special class of Boolean expressions.

Structural characterization of DC magnetron-sputtered TiO2 thin films using XRD and Raman scattering studies

Titanium dioxide films have been deposited using DC magnetron sputtering technique onto well-cleaned p-silicon substrates at an oxygen partial pressure of 7 x 10(-5) mbar and at a sputtering pressure (Ar + O-2) Of I X 10(-3) mbar. The deposited films were calcinated at 673 and 773 K. The composition of the films as analyzed using Auger electron spectroscopy reveals the stoichiometry with an 0 and Ti ratio 2.08. The influence of post-deposition annealing at 673 and 773 K on the structural properties of the titanium dioxide thin films have been studied using XRD and Raman scattering. The structure of the films deposited at the ambient was found to be amorphous and the films annealed at temperature 673 K and above were crystalline with anatase structure. The lattice constants, grain size, microstrain and the dislocation density of the film are calculated and correlated with annealing temperature. The Raman scattering study was performed on the as-deposited and annealed samples and the existence of Raman active modes A(1g), B-1g and E-g corresponding to the Raman shifts are studied and reported. The improvement of crystallinity of the TiO2 films was also studied using Raman scattering studies. (C) 2003 Elsevier Ltd. All rights reserved.

Synthesis, biological studies of linear and branched arabinofuranoside-containing glycolipids and their interaction with surfactant protein A

Oligoarabinofuranoside-containing glycolipids relevant to mycobacterial cell wall components were synthesized in order to understand the functional roles of such glycolipids. A series of linear tetra-, hexa-, octa-and a branched heptasaccharide oligoarabinofuranosides, with 1 -> 2 and 1 -> 5 a-linkages between the furanoside residues, were synthesized by chemical methods from readily available monomer building blocks. Upon the synthesis of glycolipids, constituted with a double alkyl chain-substituted sn-glycerol core and oligosaccharide fragments, biological studies were performed to identify the effect of synthetic glycolipids on the biofilm formation and sliding motilities of Mycobacterium smegmatis. Synthetic glycolipids and arabinofuranosides displayed an inhibitory effect on the growth profile, but mostly on the biofilm formation and maturation. Similarly, synthetic compounds also influenced the sliding motility of the bacteria. Further, biophysical studies were undertaken, so as to identify the interactions of the glycolipids with a pulmonary surfactant protein, namely surfactant protein A (SP-A), with the aid of the surface plasmon resonance technique. Specificities of each glycolipid interacting with SP-A were thus evaluated. From this study, glycolipids were found to exhibit higher apparent association constants than the corresponding oligosaccharide portion alone, without the double alkyl group-substituted glycerol core.

Dark Matter Halo Properties as Deduced from the Observed H I Scale Height Data, in The Low-Frequency Radio Universe

We use the HΙ scale height data along with the HΙ rotation curve as constraints to probe the shape and density profile of the dark matter halos of M31 (Andromeda) and the superthin, low surface brightness (LSB) galaxy UGC 07321. We model the galaxy as a two component system of gravitationally-coupled stars and gas subjected to the force field of a dark matter halo. For M31, we get a flattened halo which is required to match the outer galactic HΙ scale height data, with our best-fit axis ratio (0.4) lying at the most oblate end of the distributions obtained from cosmological simulations. For UGC 07321, our best-fit halo core radius is only slightly larger than the stellar disc scale length, indicating that the halo is important even at small radii in this LSB galaxy. The high value of the gas velocity dispersion required to match the scale height data can explain the low star-formation rate of this galaxy.

Search on a Hypercubic Lattice using Quantum Random Walk

We investigate the spatial search problem on the two-dimensional square lattice, using the Dirac evolution operator discretized according to the staggered lattice fermion formalism. d=2 is the critical dimension for the spatial search problem, where infrared divergence of the evolution operator leads to logarithmic factors in the scaling behavior. As a result, the construction used in our accompanying article [ A. Patel and M. A. Rahaman Phys. Rev. A 82 032330 (2010)] provides an O(√NlnN) algorithm, which is not optimal. The scaling behavior can be improved to O(√NlnN) by cleverly controlling the massless Dirac evolution operator by an ancilla qubit, as proposed by Tulsi Phys. Rev. A 78 012310 (2008). We reinterpret the ancilla control as introduction of an effective mass at the marked vertex, and optimize the proportionality constants of the scaling behavior of the algorithm by numerically tuning the parameters.

Optical and structural properties of TiO2 films deposited by Sol-Gel technique

TiO2 thin films were prepared by sol gel method. The structural investigations performed by means of X- ray diffraction (XRD) technique, Scanning electronic microscopy (SEM) showed the shape structure at T=600°C. The optical constants of the deposited film were obtained from the analysis of the experimental recorded transmittance spectral data over the wavelengths range 200-3000 nm. The values of some important parameters (refractive index n, dielectric constant ε ∞ and thickness d), and the third order optical nonlinear susceptibility χ(3) of TiO2 film are determined from these spectra. It has been found that the dispersion data obey the single oscillator relation of the Wemple-DiDomenico model, from which the dispersion parameters and high – frequency dielectric constant were determined. The estimation of the corresponding band gap Eg , χ (3) and ε ∞ are 2.57 eV, 0.021 × 10-10 esu and 5.20,respectively.

A family of Runge-Kutta based explicit methods for rotational dynamics

The present paper develops a family of explicit algorithms for rotational dynamics and presents their comparison with several existing methods. For rotational motion the configuration space is a non-linear manifold, not a Euclidean vector space. As a consequence the rotation vector and its time derivatives correspond to different tangent spaces of rotation manifold at different time instants. This renders the usual integration algorithms for Euclidean space inapplicable for rotation. In the present algorithms this problem is circumvented by relating the equation of motion to a particular tangent space. It has been accomplished with the help of already existing relation between rotation increments which belongs to two different tangent spaces. The suggested method could in principle make any integration algorithm on Euclidean space, applicable to rotation. However, the present paper is restricted only within explicit Runge-Kutta enabled to handle rotation. The algorithms developed here are explicit and hence computationally cheaper than implicit methods. Moreover, they appear to have much higher local accuracy and hence accurate in predicting any constants of motion for reasonably longer time. The numerical results for solutions as well as constants of motion, indicate superior performance by most of our algorithms, when compared to some of the currently known algorithms, namely ALGO-C1, STW, LIEMID[EA], MCG, SUBCYC-M.

Tryptophan-water interaction in Monellin:Hydration patterns from molecular dynamics simulations

Femtosecond spectroscopy carried out earlier on Monellin and some other systems has given insights into the hydration dynamics of the proteins. In the present work, molecular dynamics simulations have been performed on Monellin to study the hydration dynamics. A method has been described to follow up the molecular events of the protein–water interactions in detail. The time constants of the survival correlation function match well with the reported experimental values. This validates the procedure, adapted here for Monellin, to investigate the hydration dynamics in general.

Effect of Te addition on the optical properties of As(2)S(3) thin film

Bilayer thin films of Te/As(2)S(3) were prepared from Te and As(2)S(3) by thermal technique under high vacuum. Optical constants were calculated by analysing the transmission spectrum in the spectral range 400-1100 nm. The optical band gap decreases with the addition of Te to As(2)S(3). The decrease of optical band gap has been explained on the basis of density of states and the increase in disorder in the system. We have irradiated the as-deposited films using a diode pumped solid state laser of 532 nm wavelength to study photo-diffusion of Te into As(2)S(3). The changes were characterised by Fourier Transform Infrared and X-ray Photoelectron Spectroscopy (XPS). The optical band gap is found to be decreased with the light irradiation which is proposed due to homopolar bond formation. The core level peaks in XPS spectra give information about different bond formation. (C) 2011 Elsevier B.V. All rights reserved.

Combustion synthesis, characterization and Raman studies of ZnO nanopowders

Spherical shaped ZnO nanopowders (14-50 nm) were synthesized by a low temperature solution combustion method in a short time <5 min. Rietveld analysis show that ZnO has hexagonal wurtzite structure with lattice constants a = 3.2511(1) angstrom, c = 5.2076(2) angstrom, unit cell volume (V) = 47.66(5) (angstrom)(3) and belongs to space group P63mc. SEM micrographs reveal that the particles are spherical in shape and the powders contained several voids and pores. TEM results also confirm spherical shape, with average particle size of 14-50 nm. The values are consistent with the grain sizes measured from Scherrer's method and Williamson-Hall (W-H) plots. A broad UV-vis absorption spectrum was observed at similar to 375 nm which is a characteristic band for the wurtzite hexagonal pure ZnO. The optical energy band gap of 3.24 eV was observed for nanopowder which is slightly lower than that of the bulk ZnO (3.37 eV). The observed Raman peaks at 438 and 588 cm(-1) were attributed to the E(2) (high) and E(1) (LO) modes respectively. The broad band at 564 cm(-1) is due to disorder-activated Raman scattering for the A(1) mode. These bands are associated with the first-order Raman active modes of the ZnO phase. The weak bands observed in the range 750-1000 cm(-1) are due to small defects. (C) 2011 Elsevier B.V. All rights reserved.

Impact of metal on the DNA photocleavage activity and cytotoxicity of ferrocenyl terpyridine 3d metal complexes

Ferrocenyl terpyridine 3d metal complexes and their analogues, viz. [M(Fc-tpy)(2)](ClO(4))(2) (1-4), [Zn(Ph-tpy)(2)](ClO(4))(2) (5) and [Zn(Fc-dpa)(2)]X(2) (X = ClO(4), 6; PF6, 6a), where M = Fe(II) in 1, Co(II) in 2, Cu(II) in 3 and Zn(II) in 4, Fc-tpy is 4'-ferrocenyl-2,2': 6', 2 `'-terpyridine, Ph-tpy is 4'-phenyl-2,2': 6', 2 `'-terpyridine and Fc-dpa is ferrocenyl-N,N-dipicolylmethanamine, are prepared and their DNA binding and photocleavage activity in visible light studied. Complexes 2, 4, 5 and 6a that are structurally characterized by X-ray crystallography show distorted octahedral geometry with the terpyridyl ligands binding to the metal in a meridional fashion, with Fc-dpa in 6a showing a facial binding mode. The Fc-tpy complexes display a charge transfer band in the visible region. The ferrocenyl (Fc) complexes show a quasi-reversible Fc(+)-Fc redox couple within 0.48 to 0.66 V vs. SCE in DMF-0.1 M TBAP. The DNA binding constants of the complexes are similar to 10(4) M(-1). Thermal denaturation and viscometric data suggest DNA surface binding through electrostatic interaction by the positively charged complexes. Barring the Cu(II) complex 3, the complexes do not show any chemical nuclease activity in the presence of glutathione. Complexes 1-4 exhibit significant plasmid DNA photocleavage activity in visible light via a photoredox pathway. Complex 5, without the Fc moiety, does not show any DNA photocleavage activity. The Zn(II) complex 4 shows a significant PDT effect in HeLa cancer cells giving an IC(50) value of 7.5 mu M in visible light, while being less toxic in the dark (IC(50) = 49 mu M).

Kinetics of Sulphation of Nickel and Cobalt Ferrites with Na$O, Melt Containing F'e3+ Ions

It has been experimentally established that nickel and cobalt can be extracted from their ferrites with sodium sulphate melt containing femc ions. The kinetics of extraction from synthetic ferrites using a melt of sodium and ferric sulphates of eutectic composition has been studied as a function of the particle size of the ferrite and temperature in the range 900 to 1073 K. The divalent ions in the ferrite exchange with the ferric ion in the melt, leaving a residue of hematite.The rate of reaction conforms to the Crank-Ginstling-Brounshtein diffusion model. The reaction rate is governed by the counter-diffusion of ~ e an~d ~+i ' +(or co2+) ions in the hematite lattice. Analytical expressions for the rate constants have been derived from the experimental data as a function of particle size and temperature. The activation energy for the extraction of nickel from nickel ferrite is 154(+10) kJ mol-' and the corresponding value for cobalt is 142(+10)kJ mol;'. In sulphation roasting of minerals containing nickel, the yield of nickel is generally limited to 75% due to the formation of insoluble ferrites. The use of melts based on sodium sulphate provides a possible route for enhancing the recovery of nickel to approximately 98%.

Increased glycosidic bond stabilities in 4-C-hydroxymethyl linked disaccharides

Three new hydroxymethyl-linked non-natural disaccharide analogues, containing an additional methylene group in between the glycosidic linkage, were synthesized by utilizing 4-C-hydroxymethyl-alpha-D-glucopyranoside as the glycosyl donor. A kinetic study was undertaken to assess the hydrolytic stabilities of these new disaccharide analogues toward acid-catalyzed hydrolysis, at 60 degrees C and 70 degrees C. The studies showed that the disaccharide analogues were stable, by an order of magnitude, than naturally-occurring disaccharides, such as, cellobiose, lactose, and maltose. The first order rate constants were lower than that of methyl glycosides and the trend of hydrolysis rate constants followed that of naturally-occurring disaccharides. alpha-Anomer showed faster hydrolysis than the beta-anomer and the presence of axial hydroxyl group also led to faster hydrolysis among the disaccharide analogues. Energy minimized structures, derived through molecular modeling, showed that dihedral angles around the glycosidic bond in disaccharide analogues were nearly similar to that of naturally-occurring disaccharides. (C) 2011 Elsevier Ltd. All rights reserved.

Static balancing of a four-bar linkage and its cognates

Motivated by the need to statically balance the inherent elastic forces in linkages, this paper presents three techniques to statically balance a four-bar linkage loaded by a zero-free-length spring attached between its coupler point and an anchor point on the ground. The number of auxiliary links and balancing springs required for the three techniques is less than or equal to that of the only technique currently in the literature. One of the three techniques does not require auxiliary links. In these techniques, the set of values for the spring constants and the ground-anchor point of the balancing springs can vary over a one-parameter family. Thrice as many balancing choices are available when the cognates are considered. The ensuing numerous options enable a user to choose the most practical solution. To facilitate the evaluation of the balancing choices for all the cognates, Roberts-Chebyshev cognate theorem is extended to statically balanced four-bar linkages. (C) 2011 Elsevier Ltd. All rights reserved.