Novel tetranuclear distorted open-cubane copper complex containing oximate bridges: Synthesis, crystal structure, DNA binding and cleavage activity

The synthesis, molecular structure, DNA binding and nuclease activity of Cu4O4 open-cubane tetranuclear copper(II) complex with 3-2-(ethyl amino)ethyl]imino]-2-butanoneoxime (HL) are reported for the first time. The neutral tetranuclear Cu4L4(ClO4)(4)] complex crystallizes in tetragonal space group P (4) over bar2(1)c with the unit cell parameters; a = 13.798(4) angstrom, b = 13.798(4) angstrom, c = 14.119(6) angstrom, V = 2688(16) angstrom(3), Z = 8, R = 0.0636. Symmetrically equivalent copper atoms exhibit a CuN3O3 elongated distorted octahedral coordination environment, with three nitrogen atoms of the L ligand and one oxime-oxygen atom of second L ligand at equatorial positions, one oxime-oxygen atom of the third L ligand and perchlorate oxygen at axial positions. The complex shows quasireversible cyclic voltammetric response at 0.805 V (Delta E-p = 277 mV) at 100 mV s (1) in DMF for the Cu(II)/Cu(I) redox couple. The binding study of the complex with calf-thymus DNA has been investigated using absorption spectrophotometry. The complex shows strong nuclease activity on stranded pBR 322 plasmid DNA in the presence of hydrogen peroxide and marginal nuclease activity in the presence of reducing agent (dithiothreitol). (C) 2012 Elsevier B. V. All rights reserved.

Quantum heat engines: A thermodynamic analysis of power and efficiency

We show that the operation and the output power of a quantum heat engine that converts incoherent thermal energy into coherent cavity photons can be optimized by manipulating quantum coherences. The gain or loss in the efficiency at maximum power depends on the details of the output power optimization. Quantum effects tend to enhance the output power and the efficiency as the photon occupation in the cavity is decreased.

Growth and photovoltaic performance of SnS quantum dots

Tin sulphide (SnS) quantum dots of size ranging from 2.4 to 14.4 nm are prepared by chemical precipitation method in aqueous media. Growth of the SnS particles is monitored by controlling the deposition time. Both XRD and SAED patterns confirm that the particles possess orthorhombic structure. The uncapped SnS particles showed secondary phases like Sn2S3 and SnS2 which is visible in the SAED pattern. From the electrochemical characterization. HOMO-LUMO levels of both TiO2 and SnS are determined and the band alignment is found to be favorable for electron transfer from SnS to TiO2. Moreover, the HOMO-LUMO levels varied for different particle sizes. Solar cell is fabricated by sensitizing porous TiO2 thin film with SnS QDs. Cell structure is characterized with and without buffer layer between FTO and TiO2. Without the buffer layer, cell showed an open circuit voltage (V-oc) of 504 mV and short circuit current density (J(sc)) of 2.3 mA/cm(2) under AM1.5 condition. The low fill factor of this structure (15%) is seen to be increased drastically to 51%, on the incorporation of the buffer layer. The cell characteristics are analyzed using two different size quantum dots. (C) 2012 Elsevier B.V. All rights reserved.

Asymptotic expansions for the coupled wavenumbers in an infinite orthotropic flexible fluid-filled cylindrical shell

Analytical expressions are found for the coupled wavenumbers in flexible, fluid-filled, circular cylindrical orthotropic shells using the asymptotic methods. These expressions are valid for arbitrary circumferential orders. The Donnell-Mushtari shell theory is used to model the shell and the effect of the fluid is introduced through the fluid-loading parameter mu. The orthotropic problem is posed as a perturbation on the corresponding isotropic problem by defining a suitable orthotropy parameter epsilon, which is a measure of the degree of orthotropy. For the first study, an isotropic shell is considered (by setting epsilon = 0) and expansions are found for the coupled wavenumbers using a regular perturbation approach. In the second study, asymptotic expansions are found for the coupled wavenumbers in the limit of small orthotropy (epsilon << 1). For each study, isotropy and orthotropy, expansions are found for small and large values of the fluid-loading parameter mu. All the asymptotic solutions are compared with numerical solutions to the coupled dispersion relation and the match is seen to be good. The differences between the isotropic and orthotropic solutions are discussed. The main contribution of this work lies in extending the existing literature beyond in vacuo studies to the case of fluid-filled shells (isotropic and orthotropic).

A novel gas flow sensing application using piezoelectric ZnO thin films deposited on Phynox alloy

We report on the novel flow sensing application of piezoelectric ZnO thin film deposited on Phynox alloy sensing element. Characterization of piezoelectric ZnO films deposited on Phynox (Elgiloy) substrate at different RF powers is discussed. ZnO films deposited at RF power of 100W were found to have fine c-axis orientation, possesses excellent surface morphology with lower rms surface roughness of 1.87 nm and maximum d(31) coefficient value 4.7 pm V-1. The thin cantilever strip of Phynox alloy with ZnO film as a sensing layer for flow sensing has been tested for flow rates ranging from 2 to 18 L min(-1). A detailed theoretical analysis of the experimental set-up showing the relationship between output voltage and force at a particular flow rate has been discussed. The sensitivity of now sensing element is similar to 18 mV/(L min(-1)) and typical response time is of the order of 20 m s. The sensing element is calibrated using in-house developed testing set-up. (C) 2012 Elsevier B.V. All rights reserved.

Reactivities of Modified and Unmodified Exfoliated Graphite Electrodes in Selected Redox Systems

The electrochemical profiles of exfoliated graphite electrodes (EG) and glassy carbon electrodes (GCE) were recorded using cyclic voltammetry and square wave voltammetry in the presence of various supporting electrolytes and Fe(CN)(6)](3-/4-), Ru(NH3)(6)](2+/3+), ferrocene redox probes. In the supporting electrolytes (KCl, H2SO4, NaOH, tetrabutylammoniumtetraflouroborate, phosphate buffers), the potential windows of EG were found in some cases to be about 200 mV larger than that of GCE. The electroactive surface area of EG was estimated to be 19.5 % larger than the GCE which resulted in higher peak currents on the EG electrode. Furthermore, EG was modified with various nanomaterials such as poly (propylene imine) dendrimer, gold nanoparticles, and dendrimer-gold nanoparticles composite. The morphologies of the modified electrodes were studied using scanning electron microscopy and their electrochemical reactivities in the three redox probes were investigated. The current and the reversibility of redox probes were enhanced with the presence of modifiers in different degrees with dendrimer and gold nanoparticles having a favorable edge.

Optical Properties of 1P State Electron Bubbles in Liquid Helium-4

When an electron is injected into liquid helium, it forces open a cavity that is free of helium atoms (an electron bubble). If the electron is in the ground 1S state, this bubble is spherical. By optical pumping it is possible to excite a significant fraction of the electron bubbles to the 1P state; the bubbles then lose spherical symmetry. We present calculations of the energies of photons that are needed to excite these 1P bubbles to higher energy states (1D and 2S) and the matrix elements for these transitions. Measurement of these transition energies would provide detailed information about the shape of the 1P bubbles.

Identification of mycobacterial lectins from genomic data

Sixty-four sequences containing lectin domains with homologs of known three-dimensional structure were identified through a search of mycobacterial genomes. They appear to belong to the -prism II, the C-type, the Microcystis virdis (MV), and the -trefoil lectin folds. The first three always occur in conjunction with the LysM, the PI-PLC, and the -grasp domains, respectively while mycobacterial -trefoil lectins are unaccompanied by any other domain. Thirty heparin binding hemagglutinins (HBHA), already annotated, have also been included in the study although they have no homologs of known three-dimensional structure. The biological role of HBHA has been well characterized. A comparison between the sequences of the lectin from pathogenic and nonpathogenic mycobacteria provides insights into the carbohydrate binding region of the molecule, but the structure of the molecule is yet to be determined. A reasonable picture of the structural features of other mycobacterial proteins containing one or the other of the four lectin domains can be gleaned through the examination of homologs proteins, although the structure of none of them is available. Their biological role is also yet to be elucidated. The work presented here is among the first steps towards exploring the almost unexplored area of the structural biology of mycobacterial lectins. Proteins 2013. (c) 2012 Wiley Periodicals, Inc.

Synthesis, crystal structure, DNA binding and cleavage activities of oximato bridged cationic dinuclear copper(II) complex having labile ligands

Oximato bridged dinuclear copper(II) complex Cu(L)(CH3OH)](2)(ClO4)(2) with an oxime-Schiff base ligand, viz. 3-2-(dimethylamino)ethyl]imino]-2-butanoneoxime (HL), has been synthesized and structurally characterized. The dinuclear copper(II) complex crystallizes in monoclinic space group P2(1)/n with the unit cell parameters, a = 13.3564(9) angstrom, b = 12.0821(8) angstrom, c = 17.5045(11) angstrom, beta = 90.097, V = 2824.8(3) angstrom(3), Z = 4, R = 0.0769. The complex shows quasi-reversible cyclic voltammetric response at 0.844V (Delta E-p = 276 mV) at 100 mVs(-1). The binding studies of the complex with calf thymus DNA has been investigated using absorption spectrophotometry. Cleavage activity of the complex has been carried out on double stranded pBR 322 plasmid DNA by using gel electrophoresis experiments in the absence and in the presence of the oxidant, viz., H2O2.

Physical ageing in Se-Te-Sb glasses

Bulk Se60-xTe40Sbx glasses in the composition range 0 <= x <= 14 were prepared by the melt quenching method. Differential Scanning Calorimetric (DSC) and thermal crystallization studies were performed to understand the thermodynamic property like glass transition and structural transformations. These glasses exhibit sharp endothermic peak at the glass transition (T-g). Disappearance of the endothermic peak at T-g in the rejuvenated samples clearly indicates the ageing effect in these glasses. Addition of Sb to Se-Te increases the connectivity of the structural network which is evidenced from the increase in T-g. A distinct change in the slope of the T-g at x=6, indicates a major change in the way the network is connected. The glass forming ability and the thermal stability also exhibit a maximum at x=6. T-g increases with the ageing time and the corresponding fictive temperature (T-f) calculated from the specific heat curves shows a decreasing trend. The molecular movements along the polymeric Se chains might cause the structural relaxation and the physical ageing. The physical ageing effect has been understood on the basis of the Bond Free Solid Angle (BFSA) model proposed by Kastner. Thermally crystallized samples show the formation of rhombohedral Sb2Te3, rhombohedral Sb2Se3 and hexagonal Te phases.

Asymptotic wavenumber expansions of a strongly orthotropic fluid-filled circular cylindrical shell

In this paper, a suitable nondimensional `orthotropy parameter' is defined and asymptotic expansions are found for the wavenumbers in in vacuo and fluid-filled orthotropic circular cylindrical shells modeled by the Donnell-Mushtari theory. Here, the elastic moduli in the two directions are greatly different; the particular case of E-x >> E-theta is studied in detail, i.e., the elastic modulus in the longitudinal direction is much larger than the elastic modulus in the circumferential direction. These results are compared with the corresponding results for a `slightly orthotropic' shell (E-x approximate to E-theta) and an isotropic shell. The novelty of this presentation lies in obtaining closed-form expansions for the in vacuo and coupled wavenumbers in an orthotropic shell using perturbation methods aiding in a better physical understanding of the problem.

Performance limits of transition metal dichalcogenide (MX2) nanotube surround gate ballistic field effect transistors

We theoretically analyze the performance of transition metal dichalcogenide (MX2) single wall nanotube (SWNT) surround gate MOSFET, in the 10 nm technology node. We consider semiconducting armchair (n, n) SWNT of MoS2, MoSe2, WS2, and WSe2 for our study. The material properties of the nanotubes are evaluated from the density functional theory, and the ballistic device characteristics are obtained by self-consistently solving the Poisson-Schrodinger equation under the non-equilibrium Green's function formalism. Simulated ON currents are in the range of 61-76 mu A for 4.5 nm diameter MX2 tubes, with peak transconductance similar to 175-218 mu S and ON/OFF ratio similar to 0.6 x 10(5)-0.8 x 10(5). The subthreshold slope is similar to 62.22 mV/decade and a nominal drain induced barrier lowering of similar to 12-15 mV/V is observed for the devices. The tungsten dichalcogenide nanotubes offer superior device output characteristics compared to the molybdenum dichalcogenide nanotubes, with WSe2 showing the best performance. Studying SWNT diameters of 2.5-5 nm, it is found that increase in diameter provides smaller carrier effective mass and 4%-6% higher ON currents. Using mean free path calculation to project the quasi-ballistic currents, 62%-75% reduction from ballistic values in drain current in long channel lengths of 100, 200 nm is observed.

Monte Carlo simulation of light transport in tissue for optimizing light delivery in photoacoustic imaging of the sentinel lymph node

Noninvasive or minimally invasive identification of sentinel lymph node (SLN) is essential to reduce the surgical effects of SLN biopsy. Photoacoustic (PA) imaging of SLN in animal models has shown its promise for clinical use in the future. Here, we present a Monte Carlo simulation for light transport in the SLN for various light delivery configurations with a clinical ultrasound probe. Our simulation assumes a realistic tissue layer model and also can handle the transmission/reflectance at SLN-tissue boundary due to the mismatch of refractive index. Various light incidence angles show that for deeply situated SLNs the maximum absorption of light in the SLN is for normal incidence. We also show that if a part of the diffused reflected photons is reflected back into the skin using a reflector, the absorption of light in the SLN can be increased significantly to enhance the PA signal. (C) 2013 Society of Photo-Optical Instrumentation Engineers (SPIE)

Improved magneto-electric response in Na0.5Bi0.5TiO3-MnFe2O4 composites

Magneto-electric composites comprising Na0.5Bi0.5TiO3 (NBT) and MnFe2O4 (MFO) were fabricated using their fine powders obtained via sol-gel method. X-ray diffraction and scanning electron microscopy results confirmed the single-phase formation of NBT and MFO and the composite nature when these were mixed and sintered at appropriate temperatures. The dielectric constant (epsilon(r)) and dielectric loss (D) decreased with increase in frequency (40-110 MHz). Room temperature magnetization measurements established these composites to be soft magnetic. Further, the nature of these composites were established to be magneto-electric at 300 K. The highest ME response of 0.19 % was observed in 30NBT-70MFO composite. The ME coefficient (alpha) was 240 mV/cm Oe for the same composition. The present study demonstrated the effectiveness of NBT/MFO as a lead-free multiferroic composite and provides an alternative for environment-friendly ME device applications.

A model for probing large distance behaviour in high energy collisions

We apply to total cross-sections our model for soft gluon resummation in the infrared region. The model aims to probe large distance interactions in QCD. Our ansatz for an effective coupling for gluons and quarks in the infrared region follows an inverse power law which is singular but integrable. In the context of an eikonal formalism with QCD mini-jets, we study total hadronic cross-sections for protons, pions, photons. We estimate the total inelastic cross-section at LHC comparing with recent measurements and update previous results for survival probability.