398 resultados para lattice free


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This paper presents a formulation of an approximate spectral element for uniform and tapered rotating Euler-Bernoulli beams. The formulation takes into account the varying centrifugal force, mass and bending stiffness. The dynamic stiffness matrix is constructed using the weak form of the governing differential equation in the frequency domain, where two different interpolating functions for the transverse displacement are used for the element formulation. Both free vibration and wave propagation analysis is performed using the formulated elements. The studies show that the formulated element predicts results, that compare well with the solution available in the literature, at a fraction of the computational effort. In addition, for wave propagation analysis, the element shows superior convergence. (C) 2007 Elsevier Ltd. All rights reserved.

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A modified form of Green's integral theorem is employed to derive the energy identity in any water wave diffraction problem in a single-layer fluid for free-surface boundary condition with higher-order derivatives. For a two-layer fluid with free-surface boundary condition involving higher-order derivatives, two forms of energy identities involving transmission and reflection coefficients for any wave diffraction problem are also derived here by the same method. Based on this modified Green's theorem, hydrodynamic relations such as the energy-conservation principle and modified Haskind–Hanaoka relation are derived for radiation and diffraction problems in a single as well as two-layer fluid.

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We describe the synthesis and structure of Barium sulfate nanoparticles by precipitation method in the presence of water soluble inorganic stabilizing agent, sodium hexametaphosphate, (NaPO3)(6). The structural parameters were refined by the Rietveld refinement method using powder X-ray diffraction data. Barium sulfate nanoparticles were crystallized in the orthorhombic structure with space group Pbnm (No. 62) having the lattice parameters a = 7.215(1) (angstrom), b = 8.949(1) (angstrom) and c = 5.501 (1) (angstrom) respectively. Transmission electron microscopy study reveals that the nanoparticles are size range, 30-50 nm. Fourier transform infrared spectra showed distinct absorption due to the SO42- moiety at 1115 and 1084 cm(-1) indicating formation of barium sulfate nanoparticles free from the phosphate group from the stabilizer used in the synthesis. (C) 2009 Elsevier Ltd. All rights reserved.

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Aurora kinases are essential for chromosomal segregation and cell division and thereby important for maintaining the proper genomic integrity. There are three classes of aurora kinases in humans: A, B, and C. Aurora kinase A is frequently overexpressed in various cancers. The link of the overexpression and tumorigenesis is yet to be understood. By employing virtual screening, we have found that anacardic acid, a pentadecane aliphatic chain containing hydroxylcarboxylic acid, from cashew nut shell liquid could be docked in Aurora kinases A and B. Remarkably, we found that anacardic acid could potently activate the Aurora kinase A mediated phosphorylation of histone H3, but at a similar concentration the activity of aurora kinase B remained unaffected in vitro. Mechanistically, anacardic acid induces the structural changes and also the autophosphorylation of the aurora kinase A to enhance the enzyme activity. This data thus indicate anacardic acid as the first small-molecule activator of Aurora kinase, which could be highly useful for probing the function of hyperactive (overexpressed) Aurora kinase A.

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Amphiphilic sugars exhibit both lyotropic and thermotropic liquid-crystalline behavior. Interestingly, in spite of the abundance of chiral centers in amphiphilic sugars, their liquid-crystalline phases do not exhibit macroscopic chirality. Herein, we report on the first observation of macroscopic chirality in sugar-based bolaamphiphiles containing free hydroxyl groups. The manifestation of the chiral smectic C* phase in these bolaamphiphiles has been observed to be critically dependent on the presence of the azobenzene moiety and the suitable length of the methylene spacer. These results imply that by suitable selection of linker groups, mesogenic bolaamphiphiles possessing macroscopic chirality can be designed using a variety of naturally available sugar derivatives.

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Mycobacterium tuberculosis (Mtb), a dreaded pathogen, has a unique cell envelope composed of high fatty acid content that plays a crucial role in its pathogenesis. Acetyl Coenzyme A Carboxylase (ACC), an important enzyme that catalyzes the first reaction of fatty acid biosynthesis, is biotinylated by biotin acetyl-CoA carboxylase ligase (BirA). The ligand-binding loops in all known apo BirAs to date are disordered and attain an ordered structure only after undergoing a conformational change upon ligand-binding. Here, we report that dehydration of Mtb-BirA crystals traps both the apo and active conformations in its asymmetric unit, and for the first time provides structural evidence of such transformation. Recombinant Mtb-BirA was crystallized at room temperature, and diffraction data was collected at 295 K as well as at 120 K. Transfer of crystals to paraffin and paratone-N oil (cryoprotectants) prior to flash-freezing induced lattice shrinkage and enhancement in the resolution of the X-ray diffraction data. Intriguingly, the crystal lattice rearrangement due to shrinkage in the dehydrated Mtb-BirA crystals ensued structural order of otherwise flexible ligand-binding loops L4 and L8 in apo BirA. In addition, crystal dehydration resulted in a shift of similar to 3.5 angstrom in the flexible loop L6, a proline-rich loop unique to Mtb complex as well as around the L11 region. The shift in loop L11 in the C-terminal domain on dehydration emulates the action responsible for the complex formation with its protein ligand biotin carboxyl carrier protein (BCCP) domain of ACCA3. This is contrary to the involvement of loop L14 observed in Pyrococcus horikoshii BirA-BCCP complex. Another interesting feature that emerges from this dehydrated structure is that the two subunits A and B, though related by a noncrystallographic twofold symmetry, assemble into an asymmetric dimer representing the ligand-bound and ligand-free states of the protein, respectively. In-depth analyses of the sequence and the structure also provide answers to the reported lower affinities of Mtb-BirA toward ATP and biotin substrates. This dehydrated crystal structure not only provides key leads to the understanding of the structure/function relationships in the protein in the absence of any ligand-bound structure, but also demonstrates the merit of dehydration of crystals as an inimitable technique to have a glance at proteins in action.

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Theoretical expressions for stresses and displacements have been derived for bending under a ring load of a free shell, a shell embedded in a soft medium, and a shell containing a soft core. Numerical work has been done for typical cases with an Elliot 803 Digital Computer and influence lines are drawn therefrom.

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The lattice dynamics of hexagonal ice is worked out with the force constants deduced from the experimental elastic constants.

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Free convection heat transfer from vertical long cylinders and wires were investigated experimentally. The experiments were designed to check the analytical results and the radius of curvature criteria formulated by the same authors. The results for water, the fluid medium used in the present set of experiments, are in excellent agreement with the theory. The results of Hama, Recesso and Christiaens, Kyte, Madden and Piret, in air are also shown to be in close agreement with proposed correlations.

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The longwavelength lattice vibrations in potassium, rubidium and caesium azides have been calculated using Born's lattice dynamics.

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The boxicity of a graph G, denoted box(G), is the least integer d such that G is the intersection graph of a family of d-dimensional (axis-parallel) boxes. The cubicity, denoted cub(G), is the least dsuch that G is the intersection graph of a family of d-dimensional unit cubes. An independent set of three vertices is an asteroidal triple if any two are joined by a path avoiding the neighbourhood of the third. A graph is asteroidal triple free (AT-free) if it has no asteroidal triple. The claw number psi(G) is the number of edges in the largest star that is an induced subgraph of G. For an AT-free graph G with chromatic number chi(G) and claw number psi(G), we show that box(G) <= chi(C) and that this bound is sharp. We also show that cub(G) <= box(G)([log(2) psi(G)] + 2) <= chi(G)([log(2) psi(G)] + 2). If G is an AT-free graph having girth at least 5, then box(G) <= 2, and therefore cub(G) <= 2 [log(2) psi(G)] + 4. (c) 2010 Elsevier B.V. All rights reserved.

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It is well known that the analysis of vibration of orthogonally stiffened rectangular plates and grillages may be simplified by replacing the actual structure by an orthotropic plate. This needs a suitable determination of the four elastic rigidity constants Dx, Dy, Dxy, D1 and the mass {Mathematical expression} of the orthotropic plate. A method is developed here for determining these parameters in terms of the sectional properties of the original plate-stiffener combination or the system of interconnected beams. Results of experimental work conducted on aluminium plates agree well with the results of the theory developed here.

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The Raman spectrum of a single crystal of sulphamic acid has been recorded withλ 2537 excitation. Thirty-eight lines have been observed, of which twenty-nine have been recorded for the first time. Seven Raman lines with shifts in the region 50–155 cm.−1 have been assigned to the lattice oscillations, two at 177 and 240 cm.−1 have been attributed to the low-frequency hydrogen bond vibrations.. The splitting of the degenerate modes and the appearance of N-H....O bonded stretching vibrations are consistent with the structural data which expect the presence of the free molecule as a Zwitter ion with only slight distortion from C3v symmetry.