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31.
Becker-Szendy R Bratton CB Cady DR Casper D Claus R Crouch M Dye ST Gajewski W Goldhaber M Haines TJ Halverson PG Jones TW Kielczewska D Kropp WR Learned JG LoSecco JM McGrew C Matsuno S Mudan MS Price L Reines F Schultz J Sinclair D Sobel HW Stone JL Sulak LR Svoboda R Thornton G van der Velde JC 《Physical review D: Particles and fields》1990,42(9):2974-2976
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Dye ST Annis J Becker-Szendy R Bratton CB Casper D Claus R Crouch M Errede S Gajewski W Goldhaber M Haines TJ Jones TW Kielczewska D Kropp WR Learned JG LoSecco JM McGrew C Matthews J Mudan MS Price LR Reines F Schultz J Seidel S Sinclair D Sobel HW Stone JL Sulak LR Svoboda R Thornton G van der Velde JC 《Physical review letters》1989,62(18):2069-2072
35.
M Claeys-Bruno D Toronto J Pécaut M Bardet J C Marchon 《Journal of the American Chemical Society》2001,123(44):11067-11068
36.
Maheut G Castaings A Pécaut J Lawson Daku LM Pescitelli G Di Bari L Marchon JC 《Journal of the American Chemical Society》2006,128(19):6347-6356
Circular dichroism (CD) spectra and density functional theory (DFT) calculations are reported for a series of conformationally bistable chiroporphyrins with 8-methylene bridles MBCP-8, which can display either an alphaalphaalphaalpha or an alphabetaalphabeta orientation of their meso substituents. From DFT geometry optimizations, the most stable form of ZnBCP-8 is found to be the alphaalphaalphaalpha conformer. By passing to NiBCP-8, there is a strong stabilization of the alphabetaalphabeta conformation with respect to the alphaalphaalphaalpha conformation, consistent with the X-ray structures of alphaalphaalphaalpha-ZnBCP-8 and alphabetaalphabeta-NiBCP-8. A correlation between the sign of the CD signal in the Soret region and the conformation of the BCP-8 compounds is reported: the alphaalphaalphaalpha conformers H2BCP-8 and ZnBCP-8 show a positive CD signal, whereas the alphabetaalphabeta conformers NiBCP-8 and CuBCP-8 exhibit a negative signal. The possible contributions to the rotational strengths of alphabetaalphabeta-NiBCP-8 and alphaalphaalphaalpha-ZnBCP-8, calculated on the basis of their crystal structures, have been analyzed. The CD signals are found to result from a combination of both the inherent chirality of the porphyrin and of extrinsic contributions due to the chiral bridles. These results may have a broad significance for understanding the chiroptical properties of chiral porphyrins and hemoproteins and for monitoring stimuli-responsive, conformationally bistable chiroporphyrin compounds. 相似文献
37.
Fabio D. Cukiernik Pascale Maldivi Anne-Marie Giroud-godquin Jean-Claude Marchon Mohammed Ibn-elhaj Daniel Guillon 《Liquid crystals》2013,40(6):903-906
Abstract The syntheses and structural properties of new binuclear ruthenium (II, III) complexes with long chain carboxylates, of general formula Ru2(RCO2)4X (R = C8H17, C11H23 and X = C1, RCOO), are reported. The thermodynamic behaviour of these compounds is strongly influenced by the nature of the counterion X. The chloro complexes (X = CI) are not mesomorphic whereas the carboxylato species (X = RCOO) are shown to exhibit a thermotropic columnar mesophase, thus providing the first example of a mixed-valent liquid-crystalline material. 相似文献
38.
JC Wolff S Monte N Haskins D Bell 《Rapid communications in mass spectrometry : RCM》1999,13(18):1797-1802
Structural analysis of minor components in mixtures is a vital requirement in the development of any pharmaceutical compound. Mass spectrometry is uniquely able to give this kind of information on the trace amounts of material present as minor impurities in a drug substance. In this study we show that a combination of mass spectrometric analysers with different characteristics is an even more powerful approach with a higher chance of establishing a potential structure. In particular the advent of analysers capable of accurate mass measurement on small amounts of material has enabled structures to be proposed in situations where previously no real conclusions could be made. Copyright 1999 John Wiley & Sons, Ltd. 相似文献
39.
In this paper the exact solution of the non-symmetric matrixRiccati equation with analytic coefficients is approximatedby a rational matrix function with a prefixed accuracy. Thisrational matrix function is locally defined as the exact solutionof a Riccati problem with matrix polynomial coefficients obtainedby truncation of the Taylor expansions of the matrix coefficientsof the original problem. 相似文献
40.
This paper presents a numerical method for solving the two‐dimensional unsteady incompressible Navier–Stokes equations in a vorticity–velocity formulation. The method is applicable for simulating the nonlinear wave interaction in a two‐dimensional boundary layer flow. It is based on combined compact difference schemes of up to 12th order for discretization of the spatial derivatives on equidistant grids and a fourth‐order five‐ to six‐alternating‐stage Runge–Kutta method for temporal integration. The spatial and temporal schemes are optimized together for the first derivative in a downstream direction to achieve a better spectral resolution. In this method, the dispersion and dissipation errors have been minimized to simulate physical waves accurately. At the same time, the schemes can efficiently suppress numerical grid‐mesh oscillations. The results of test calculations on coarse grids are in good agreement with the linear stability theory and comparable with other works. The accuracy and the efficiency of the current code indicate its potential to be extended to three‐dimensional cases in which full boundary layer transition happens. Copyright © 2011 John Wiley & Sons, Ltd. 相似文献