7 resultados para Centre quaternaire stéréogénique

em Indian Institute of Science - Bangalore - Índia


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Observations of the H272α recombination line towards the galactic centre show features near VLSR= 0, -50 and + 36 kms-1 . We have combined the parameters of these features with the available -166 measurements to obtain the properties of the ionized gas present along the line of sight and also in the -3 kpc arm-. For the line-of-sight ionized gas we get an electron density around 7 cm-3 and a pathlength through it 10-60 pc. The emission measure and the electron temperature are in the range 500-2900 pc cm-6 and 2000-6000 - respectively. The ionized gas in the 3 kpc arm has an electron density of 30 cm-3 and extends over 9 pc along the line of sight if we assume an electron temperature of 104 K. Using the available upper limit to the intensity of the H351α recombination line, we show that the distributed ionized gas responsible for the dispersion of pulsar signals should have a temperature > 4500 - and a minimum filling factor of 20 per cent. We also show that recombination lines from the -warm ionized- gas proposed by McKee & Ostriker (1977) should be detectable in the frequency range 100-150 MHz towards the galactic centre with the sensitivity available at present.

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Linalool-8-monoxygenase, a typical bacterial P-450 heme thiolase, shows a high degree of substrate specificity towards linalool. The active site of the pure enzyme has been probed with a large number of substrate analogues with systematic alterations or conformational variations in the linalool molecule. The comparison of three parameters, the mo→mos conversion of the enzyme as a result of substrate binding monitored at 392 nm, theK D of the analogues giving information about energies of association and the relative turnover as substrate have given information about the space-filling characteristics of the substrates in the enzyme cleft, the number of contacts the molecules make with the respective domains of the enzyme and the distance of the site undergoing hydroxylation from the oxygen site, respectively. The data permit the conclusion that linalool makes contact with the enzyme by hydrogen bonding with the hydroxyl group as well through hydrophobic association with all the eight carbons carrying hydrogen in the molecules.

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A study on the conformational aspects of cyclo-hexaglycyl having inversion symmetry has been made. The cyclic backbone has been assumed to have two internal 4→1 types of NH... O hydrogen bonds. This molecule has been found to take up two types of conformations designated asA* andB* having nearly the same energy values. The theoretical conformations have been compared with the conformations of cyclohexaglycyl hemihydrate observed in the crystal structure. Two molecules with an approximate inversion symmetry are close to the conformation of the typeB* and two other molecules with exact inversino symmetry correspond nearly to the typesB* andA*. comparison with the theoretically possible conformations of cyclohexaglycyl molecule with 2-fold symmetry has been made. The preference of inversion symmetry and preferred ranges ofψ for glycyl molecules is discussed.

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X-band electron spin resonance (ESR) studies of (CrO4)2- doped, X-irradiated single crystals of ferroelectric ammonium sulphate ((NH4)2SO4, TC = 223 K) at 300 and 208 K are reported. The paramagnetic centre responsible for the ESR spectrum is identified to be Cr5+. Superhyperfine interaction of the unpaired electron with two equivalent protons is observed. The spin-Hamiltonian parameters which are nearly axial at 300 K, with g < g indicating a dx2-y2 orbital ground state, acquired rhombic character below TC indicating a distortion of the sulphate tetrahedron. An increase in the value of the proton superhyperfine constant in the ferroelectric phase is indicative of stronger hydrogen bonding.

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This work describes the parallelization of High Resolution flow solver on unstructured meshes, HIFUN-3D, an unstructured data based finite volume solver for 3-D Euler equations. For mesh partitioning, we use METIS, a software based on multilevel graph partitioning. The unstructured graph used for partitioning is associated with weights both on its vertices and edges. The data residing on every processor is split into four layers. Such a novel procedure of handling data helps in maintaining the effectiveness of the serial code. The communication of data across the processors is achieved by explicit message passing using the standard blocking mode feature of Message Passing Interface (MPI). The parallel code is tested on PACE++128 available in CFD Center

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To investigate the use of centre of gravity location on reducing cyclic pitch control for helicopter UAV's (unmanned air vehicles) and MAV's (micro air vehicles). Low cyclic pitch is a necessity to implement the swashplateless rotor concept using trailing edge flaps or active twist using current generation low authority piezoceramic actuators. Design/methodology/approach – An aeroelastic analysis of the helicopter rotor with elastic blades is used to perform parametric and sensitivity studies of the effects of longitudinal and lateral center of gravity (cg) movements on the main rotor cyclic pitch. An optimization approach is then used to find cg locations which reduce the cyclic pitch at a given forward speed. Findings – It is found that the longitudinal cyclic pitch and lateral cyclic pitch can be driven to zero at a given forward speed by shifting the cg forward and to the port side, respectively. There also exist pairs of numbers for the longitudinal and lateral cg locations which drive both the cyclic pitch components to zero at a given forward speed. Based on these results, a compromise optimal cg location is obtained such that the cyclic pitch is bounded within ±5° for a BO105 helicopter rotor. Originality/value – The reduction in the cyclic pitch due to helicopter cg location is found to significantly reduce the maximum magnitudes of the control angles in flight, facilitating the swashplateless rotor concept. In addition, the existence of cg locations which drive the cyclic pitches to zero allows for the use of active cg movement as a way to replace the cyclic pitch control for helicopter MAV's.

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We here report what we believe to be an important method for studying hydrogen bonding in systems containing a paramagnetic centre. The technique of electron-nuclear double resonance ( ENDOR) has been applied to study the hydrogen-bond network around the AsO44-. centre in X-ray irradiated KH2AsO4. ENDOR transitions from several sets of hydrogen nuclei surrounding the centre were observed at 4.2 degrees K and the spectra for two sets of neighbouring nuclei are identified. The angular dependences for these spectra are fitted with a spin-Hamiltonian to obtain the isotropic and anisotropic magnetic hyperfine constants. The results are discussed in terms of the available spectroscopic and crystallographic data on KH2AsO4 and the order-disorder model of ferroelectrictricity in this class of crystals.