The Behaviour of Two-Phase Flow of DNAPL and Water through a Fractured Rock under Confining Pressure

This study presents the characterization of DNAPL and water flow in a fracture under confining pressure. A comprehensive mathematical model and the conditions under which DNAPL will enter an initially water-saturated deforming rock fracture are discussed. A numerical model with which to predict the quantity of each phase in terms of their saturations in deforming rock joint is developed. The effect of varying confining stresses on the traverse time of DNAPL across a fractured aquitard is studied. The sensitivity analysis for physical and hydraulic properties like initial fracture apertures, fracture dips, equivalent fracture aperture and confining pressures are performed and discussed.

Structural Rigidity of Paranemic Crossover and Juxtapose DNA Nanostructures

Crossover motifs are integral components for designing DNA-based nanostructures and nanomechanical devices due to their enhanced rigidity compared to the normal B-DNA. Although the structural rigidity of the double helix B-DNA has been investigated extensively using both experimental and theoretical tools, to date there is no quantitative information about structural rigidity and the mechanical strength of parallel crossover DNA motifs. We have used fully atomistic molecular dynamics simulations in explicit solvent to get the force-extension curve of parallel DNA nanostructures to characterize their mechanical rigidity. In the presence of monovalent Na(+) ions, we find that the stretch modulus (gamma(1)) of the paranemic crossover and its topoisomer JX DNA structure is significantly higher (similar to 30%) compared to normal B-DNA of the same sequence and length. However, this is in contrast to the original expectation that these motifs are almost twice as rigid compared to the double-stranded B-DNA. When the DNA motif is surrounded by a solvent with Mg(2+) counterions, we find an enhanced rigidity compared to Na(+) environment due to the electrostatic screening effects arising from the divalent nature of Mg(2+) ions. To our knowledge, this is the first direct determination of the mechanical strength of these crossover motifs, which can be useful for the design of suitable DNA for DNA-based nanostructures and nanomechanical devices with improved structural rigidity.

Optimal association of mobile wireless devices with a WLAN-3G access network

In this paper, we consider the problem of association of wireless stations (STAs) with an access network served by a wireless local area network (WLAN) and a 3G cellular network. There is a set of WLAN Access Points (APs) and a set of 3G Base Stations (BSs) and a number of STAs each of which needs to be associated with one of the APs or one of the BSs. We concentrate on downlink bulk elastic transfers. Each association provides each ST with a certain transfer rate. We evaluate an association on the basis of the sum log utility of the transfer rates and seek the utility maximizing association. We also obtain the optimal time scheduling of service from a 3G BS to the associated STAs. We propose a fast iterative heuristic algorithm to compute an association. Numerical results show that our algorithm converges in a few steps yielding an association that is within 1% (in objective value) of the optimal (obtained through exhaustive search); in most cases the algorithm yields an optimal solution.

Structural and electrical properties of low pressure metalorganic chemical vapor deposition grown Eu2O3 films on Si(100)

Structural and electrical properties of Eu2O3 films grown on Si(100) in 500–600 °C temperature range by low pressure metalorganic chemical vapor deposition are reported. As-grown films also possess the impurity Eu1−xO phase, which has been removed upon annealing in O2 ambient. Film’s morphology comprises uniform spherical mounds (40–60 nm). Electrical properties of the films, as examined by capacitance-voltage measurements, exhibit fixed oxide charges in the range of −1.5×1011 to −6.0×1010 cm−2 and dielectric constant in the range of 8–23. Annealing has resulted in drastic improvement of their electrical properties. Effect of oxygen nonstoichiometry on the film’s property is briefly discussed.

Structural and dielectric behavior of pulsed laser ablated Sr(0.6)Ca(0.4)TiO(3) thin film and asymmetric multilayer of SrTiO(3) and CaTiO(3)

Homogeneous thin films of Sr(0.6)Ca(0.4)TiO(3) (SCT40) and asymmetric multilayer of SrTiO(3) (STO) and CaTiO(3) (CTO) were fabricated on Pt/Ti/SiO(2)/Si substrates by using pulsed laser deposition technique. The electrical behavior of films was observed within a temperature range of 153 K-373 K. A feeble dielectric peak of SCT40 thin film at 273 K is justified as paraelectric to antiferroelectric phase transition. Moreover, the Curie-Weiss temperature, determined from the epsilon'(T) data above the transition temperature is found to be negative. Using Landau theory, the negative Curie-Weiss temperature is interpreted in terms of an antiferroelectric transition. The asymmetric multilayer exhibits a broad dielectric peak at 273 K. and is attributed to interdiffusion at several interfaces of multilayer. The average dielectric constants for homogeneous Sr(0.6)Ca(0.4)TiO(3) films (similar to 650) and asymmetric multilayered films (similar to 350) at room temperature are recognized as a consequence of grain size effect. Small frequency dispersion in the real part of the dielectric constants and relatively low dielectric losses for both cases ensure high quality of the films applicable for next generation integrated devices. (C) 2011 Elsevier B.V. All rights reserved.

Structural, electrical, and optical properties of as-grown and heat treated ultra-thin SnS films

The composition, structural, electrical, and optical properties of as-grown and heat treated tin-mono-sulfide (SnS) ultra-thin films have been studied. The ultra-thin SnS films were prepared on glass substrates by thermal resistive evaporation technique. All the SnS films contained nanocrystallites and exhibited p-type conductivity with a low Hall-mobility, <50 cm(2)/Vs. All these films are highly tin rich in nature and exhibited orthorhombic crystal structure. As compared to other films, the SnS films annealed at 300 degrees C showed a low electrical resistivity of similar to 36 Omega cm with an optical band gap of similar to 1.98 eV. The observed electrical and optical properties of all the films are discussed based on their composition and structural parameters. These nanocrystalline ultra-thin SnS films could be expected as a buffer layer for the development of tandem solar cell devices due to their low-resistivity and high absorbability with an optimum band gap. (C) 2011 Elsevier B.V. All rights reserved.

Effect of Grain Size on Structural and Magnetic Properties of CuFe2O4 Nanograins Synthesized by Chemical Co-Precipitation

CuFe2O4 nanograins have been prepared by the chemical co-precipitation technique and calcined in the temperature range of 200-1200 degrees C for 3 h. A wide range of grain sizes has been observed in this sintering temperature range, which has been determined to be 4 to 56 nm. Formation of ferrite has also been confirmed by FTIR measurement through the presence of wide band near 600 and 430 cm(-1) for the samples in the as-dried condition. Systematic variation of wave number has been observed with the variation of the calcination temperature. B-H loops exhibit transition from superparamagnetic to ferrimagnetic state above the calcination temperature of 900 degrees C. Coercivity of the samples at lower calcination temperature of 900 degrees C reduces significantly and tends towards zero coercivity, which is suggestive of superparamagnetic transition for the samples sintered below this temperature. Frequency spectrum of the real and imaginary part of complex initial permeability have been measured for the samples calcined at different temperature, which shows wide range of frequency stability. Curie temperature, T-c has been measured from temperature dependence initial permeability at a fixed frequency of 100 kHz. Although there is small variation of T-c with sintering temperature, the reduction of permeability with temperature drastically reduce for lower sintering temperature, which is in conformity with the change of B-H loops with the variation of sintering temperatures.

Structural and Mutational Studies on Substrate Specificity and Catalysis of Salmonella typhimurium D-Cysteine Desulfhydrase

Salmonella typhimurium DCyD (StDCyD) is a fold type II pyridoxal 5' phosphate (PLP)-dependent enzyme that catalyzes the degradation of D-Cys to H2S and pyruvate. It also efficiently degrades beta-chloro-D-alanine (beta CDA). D-Ser is a poor substrate while the enzyme is inactive with respect to L-Ser and 1-amino-1-carboxy cyclopropane (ACC). Here, we report the X-ray crystal structures of StDCyD and of crystals obtained in the presence of D-Cys, beta CDA, ACC, D-Ser, L-Ser, D-cycloserine (DCS) and L-cycloserine (LCS) at resolutions ranging from 1.7 to 2.6 angstrom. The polypeptide fold of StDCyD consisting of a small domain (residues 48-161) and a large domain (residues 1-47 and 162-328) resembles other fold type II PLP dependent enzymes. The structures obtained in the presence of D-Cys and beta CDA show the product, pyruvate, bound at a site 4.0-6.0 angstrom away from the active site. ACC forms an external aldimine complex while D- and L-Ser bind non-covalently suggesting that the reaction with these ligands is arrested at C alpha proton abstraction and transimination steps, respectively. In the active site of StDCyD cocrystallized with DCS or LCS, electron density for a pyridoxamine phosphate (PMP) was observed. Crystals soaked in cocktail containing these ligands show density for PLP-cycloserine. Spectroscopic observations also suggest formation of PMP by the hydrolysis of cycloserines. Mutational studies suggest that Ser78 and Gln77 are key determinants of enzyme specificity and the phenolate of Tyr287 is responsible for C alpha proton abstraction from D-Cys. Based on these studies, a probable mechanism for the degradation of D-Cys by StDCyD is proposed.

Structural and phase dependent thermo and photoluminescent properties of Dy(OH)(3) and Dy2O3 nanorods

Hexagonal Dy(OH)(3) and cubic Dy2O3 nanorods were prepared by hydrothermal method. Dy(OH)(3) nanorods was directly obtained at 180 degrees C for 20 h after hydrothermal treatment whereas subsequently heat treatment at 750 degrees C for 2 h gives pure cubic Dy2O3. SEM micrographs reveal that needle shaped rods with different sizes were observed in both the phases. TEM results also confirm this. The TL response of hexagonal Dy(OH)(3) and cubic Dy2O3 nanorods have been analyzed for gamma-irradiation over a wide range of exposures (1-5 kGy). TL glow peak intensity increases with gamma dose in both the phases. The activation energy (E), order of kinetics (6), and frequency factor (s) for both the phases have been determined using Chen's peak shape method. The simple glow curve shape, structure and linear response to gamma-irradiation over a large span of exposures makes the cubic Dy2O3 as a useful dosimetric material to estimate high exposures of gamma-rays. (c) 2012 Elsevier Ltd. All rights reserved.

Characterization of structural and free energy properties of promoters associated with Primary and Operon TSS in Helicobacter pylori genome and their orthologs

Promoter regions in the genomes of all domains of life show similar trends in several structural properties such as stability, bendability, curvature, etc. In current study we analysed the stability and bendability of various classes of promoter regions (based on the recent identification of different classes of transcription start sites) of Helicobacter pylori 26695 strain. It is found that primary TSS and operon-associated TSS promoters show significantly strong features in their promoter regions. DNA free-energy-based promoter prediction tool PromPredict was used to annotate promoters of different classes, and very high recall values (similar to 80%) are obtained for primary TSS. Orthologous genes from other strains of H. pylori show conservation of structural properties in promoter regions as well as coding regions. PromPredict annotates promoters of orthologous genes with very high recall and precision.