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71.
72.
An effort has been made for obtaining the anharmonic properties of rocksalt structure solids starting from primary physical parameters viz. nearest-neighbor distance and hardness parameter assuming long- and short-range potentials at elevated temperatures. The elastic energy density for a deformed crystal can be expanded as power series of strains for obtaining coefficients of quadratic, cubic and quartic terms which are known as the second-, third- and fourth-order elastic constants, respectively. When the values of the higher-order elastic constants are known for a crystal, many of the anharmonic properties of the crystal can be treated within the limit of the continuum approximation in a quantitative manner. In this study, higher-order elastic constants are computed up to their melting temperature for rocksalt structure solids, which are alkali cyanides, sodium and potassium halides. The first order pressure derivatives of second- and third-order elastic constants, the second-order pressure derivatives of second-order elastic constants and partial contractions are also evaluated at different temperatures for these substances. The results thus obtained are compared with experimental data and found in well agreement with present values. 相似文献
73.
Raju Suresh Kumar Stephen Michael Rajesh Subbu Perumal Perumal Yogeeswari Dharmarajan Sriram 《Tetrahedron: Asymmetry》2010,21(11-12):1315-1327
Enantiomerically pure (R)-(1-phenylethyl)-3,5-bis[(E)-arylmethylidene]tetrahydro-4(1H)-pyridinones were synthesized for the first time, and their 1,3-dipolar cycloaddition with nitrile oxides affording di- and trispiroheterocycles regio- and stereoselectively in moderate yields was investigated. These compounds were evaluated against Mycobacterium tuberculosis H37Rv (MTB) and multi-drug-resistant M. tuberculosis (MDR-TB). Among the compounds screened, the dispiroheterocycle, namely, (5R,6R,10S)-3,9-bis(4-chlorophenyl)-10-(2,4-dichlorophenyl)-14-[(E)-(2,4-dichlorophenyl)methylidene]-12-[(R)-1-phenylethyl]-1,4,7-trioxa-2,8,12-tri-azadispiro[4.0.4.4]tetradeca-2,8-diene 5m was found to possess the maximum activity with MIC of 0.49 μM against MTB, being 9.6 and 15.6 times more potent than ciprofloxacin and ethambutol, respectively. Against MDR-TB, 5m displayed maximum activity with an MIC of 0.49 μM, with it thus being more active than rifampicin, isoniazid, ciprofloxacin and ethambutol by 7.8, 23, 77 and 124 times, respectively. 相似文献
74.
C. Yohannan Panicker Hema Tresa Varghese K. Madhusoodanan Pillai Y. Sheena Mary K. Raju T.K. Manojkumar Anna Bielenica Christian Van Alsenoy 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2010,75(5):1559-1565
Fourier-transform-Raman and infrared spectrum of 4-azatricyclo [5.2.2.02,6] undecane-3,5,8-trione were recorded and analyzed. The vibrational wavenumbers were examined theoretically using the Gaussian03 set of quantum chemistry codes, and the normal modes were assigned by potential energy distribution (PED) calculations. The first hyperpolarizability, predicted infrared intensities and Raman activities are reported. The calculated first hyperpolarizability is comparable with reported values of similar structures which makes this compound an attractive object for future studies of nonlinear optics. Optimized geometrical parameters of the compound are in agreement with similar reported structures. The red shift of the NH stretching wavenumber in the infrared spectrum from the computational wavenumber indicates the weakening of NH bond. 相似文献
75.
R Srinivasan V Sankaranarayanan N P Raju S Natarajan U V Varadaraju G V Subba Rao 《Pramana》1987,29(2):L225-L230
The absolute thermopower of single phase YBa2Cu3O7 and Y0.8Er0.2Ba2Cu3O7 has been measured in the range 250 K to the superconducting transition temperature. It is found that these compounds show
a large enhancement of thermopower in the range 150 K down toT
c. This enhancement shows a steep exponential drop as the temperature increases from the transition temperature. The temperature
variation of the enhancement is too steep to be accounted for by electron-phonon or electron-local structural excitation mechanisms. 相似文献
76.
An efficient synthesis of the title compound by Diels-Alder cycloaddition of spiro(4.2) heptadiene with p-benzoquinone followed by photochemical ring closure is described. 相似文献
77.
G K Raju K Venkataramaniah M S Prasad K Narasimhamurty V A Narasimhamurty 《Pramana》1986,26(4):327-335
Differential incoherent scattering cross-section ratios of 279.2 keV photons by zirconium, tin, tantalum, lead and uranium
elements are experimentally determined by comparing the peak areas under the degraded photon energy with that of an equivalent
aluminium foil employing a high resolution 35 c.c. coaxial Ge(Li) detector. Studies have been made in single configuration
in an angular range of 20° to 115°. The results are compared with theoretical values obtained from the non-relativistichfs model of Hubbell and co-workers. The cross-section ratios decrease as the atomic number increases for a given scattering
angle. 相似文献
78.
A facile, convenient, and one‐pot multi‐step synthesis of substituted piperidin‐2‐ones from the Baylis–Hillman alcohols derived from various aldehydes and acrylonitrile, involving Johnson–Claisen rearrangement, reduction of an α,β‐unsaturated nitrile moiety into the saturated amine‐skeleton, followed by cyclization, in an operationally simple procedure, is described. 相似文献
79.
J.S. Yadav B.V. Subba Reddy T. Srinivasa Rao K. Bhavani A. Raju 《Tetrahedron letters》2010,51(19):2622-4577
The vinyl arenes undergo smooth hydroalkylation with 1,3-diketones in the presence of 10 mol % of iodine to afford phenethyl diketones and ketoesters in good yields in short reaction times. The use of inexpensive and readily available molecular iodine makes this method quite simple, more convenient and practical. 相似文献
80.
Chemical analysis of a marine-derived Streptomyces sp. (CMB-M0423) isolated from beach sand off Heron Island, Australia, yielded three new members of the rare pyrroloterpene biosynthetic structure class. Identified by detailed spectroscopic analysis as the first reported examples of naturally occurring 2-nitropyrroles, heronapyrroles A-C (1-3) displayed promising biological activity-with low to submicromolar IC(50) activity against Gram-positive bacteria but no cytotoxicity toward mammalian cell lines. 相似文献