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71.
We demonstrate a model for determining the adsorptive and catalytic properties of strained metal surfaces based on linear elastic theory, using first-principles calculations of CO adsorption on Au and K surfaces and CO dissociation on Ru surface. The model involves a single calculation of the adsorption-induced surface stress on the unstrained metal surface, which determines quantitatively how adsorption energy changes with external strain. The model is generally applicable to both transition- and non-transition-metal surfaces, as well as to different adsorption sites on the same surface. Extending the model to both the reactant and transition state of surface reactions should allow determination of the effect of strain on surface reactivity. 相似文献
72.
Fernandez Ocaña M Neubert H Przyborowska A Parker R Bramley P Halket J Patel R 《The Analyst》2004,129(2):111-115
The epidemic of bovine spongiform encephalopathy (BSE) is thought to have resulted from feeding scrapie-infected sheep to cattle. This has led to a ban of feeding animals with "processed animal protein"(PAP). We report a novel approach for the mass spectrometric detection of PAP contamination in animal feedstuffs by detecting gelatine, a derivative of the major animal protein collagen. A method was developed to hydrolyse gelatine standards with hydrochloric acid, followed by detection of the derived hydrolytic peptides at m/z 828, 915, 957 and 1044 by matrix-assisted laser desorption/ionisation time-of-flight mass spectrometry (MALDI-TOF MS) and liquid chromatography electrospray ionisation mass spectrometry (LC-ESI-MS-MS). The marker peptides can be detected at concentrations of 100 ng ml(-1) gelatine in water with MALDI. The procedure was adapted to obtain a suitable peptide map of gelatine extracted from spiked feed. The ratio of signal area of the gelatine-derived peptide at m/z 1044 to the internal standard at m/z 556 is shown to relate to the total amount of gelatine present in the sample. 相似文献
73.
We examine the usefulness of a two-dimensional self-consistent mean-field theory for predicting polymer-induced forces between a finite object and a surface. The predictions are compared with scaling results for the compression of a single, end-grafted chain by a disk and for the compression of a brush with an athermal wall. For the former, the mean-field predictions agree with scaling theory and, in addition, provide the necessary prefactor in the scaling expressions for the Helmholtz potential and force of compression. For the brush, the mean-field results agree with the Alexander-de Gennes scaling result at moderate compressions and also provide an analytical expression for the force without any unknown parameters. We also use the mean-field theory to examine the interaction of a model bacterium with a planar substrate and show that steric interactions due to a single polymer chain alone can dominate van der Waals attraction under typical practical conditions and thus prevent bacterial adhesion to the surface. 相似文献
74.
A complete normal coordinate analysis was performed for five-coordinate non-rigid triarylantimony diester SbPh3(O2CR)2, known to be a bioactive molecule, using Wilson G-F matrix method and Urey Bradley force field. The study of vibrational
dynamics was performed using the concept of group frequencies and band intensities.
相似文献
75.
A new method is described to create secrete-codes in the security holograms for enhancing their anti-counterfeiting characteristics.
To imitate these codes is difficult as pure phase objects having complex phase distribution function are used to modulate
the object beam that is recorded in conjunction with an encoded interferometric reference beam derived from a key hologram.
Lloyd’s folding mirror interferometer is used to convert phase variations of the reconstructed wave-front into an intensity
pattern for hologram authenticity verification. Creating the secrete-codes through an interferometric reference beam from
the key hologram facilitates a multi-stage authenticity verification as well as easy repositioning of the security hologram
through a specific Moiré pattern generated during the verification process.
相似文献
76.
Raj Kumar 《Optics Communications》2007,276(1):54-57
Experimental investigations on Young’s boundary diffraction wave are presented where a wavefront division interferometric scheme is used on diffracted wavefront to generate two-beam interference fringes in the geometrically shadow region. These fringes have good visibility and are observable in the whole space, strongly advocating the physical existence of Young’s boundary diffraction wave as a separate entity. Analysis of these fringes may provide vital information about the structure and nature of boundary diffraction wave e.g. existence in whole space, dependence of amplitude on obliquity factor etc. 相似文献
77.
78.
79.
S. Shanmuga Sundara Raj Hoong‐Kun Fun Zhong‐Lin Lu Wen Xiao Xiao‐Yang Gong Chang‐Ming Gen 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):1013-1014
The crystal structure of the title compound, C15H14N2O2·H2O, is in the keto tautomeric form and the configuration at the azomethine C=N double bond is E. The molecule is non‐planar, with a dihedral angle of 27.3 (1)° between the aromatic rings. The crystal structure is stabilized by extensive hydrogen bonding involving the water molecule and hydrazone moiety. 相似文献
80.
I. Victor Paul Raj 《Tetrahedron letters》2008,49(16):2646-2648
A concise route to the asymmetric synthesis of (S)-vigabatrin® and (S)-dihydrokavain has been described using Co-catalyzed hydrolytic kinetic resolution of racemic epoxides and regiospecific opening of terminal epoxides with dimethylsulfonium methylide as the key steps. 相似文献