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Eric Jourdanneau Tony Gabard Frdric Chaussard Robert Saint-Loup Hubert Berger Elena Bertseva Frdric Grisch 《Journal of Molecular Spectroscopy》2007,246(2):167-179
CARS laboratory experiments were done in the 2905–2925 cm−1 range, in the vicinity of the ν1 band of the methane molecule, for pressures ranging from 1 to 50 bar, and temperatures up to 1100 K. These experiments were carried out in order to retrieve the pressure evolution of the CH4 spectrum, as well as to confirm its temperature dependance. After a brief recall on the theory used to compute pressure broadening coefficients and relaxation rates, we consider the ν3 and ν4 infrared bands of methane for benchmark calculations purposes. Next, we present recent experimental CARS spectra and calculated ones. Lastly, we discuss flame experiments as well as comparisons of temperature retrieval using N2 and CH4 as probe molecules. 相似文献
63.
Unraveling of all of the information contained in proteomes poses a tremendous chemical challenge, which is balanced by the promise of potentially transformational knowledge. Mass spectrometry offers an unprecedented arsenal of tools for diverse proteomic investigations. Recently, it was demonstrated that ultraviolet light can be utilized to initiate unique and potentially useful fragmentations in peptides and proteins. Either nonspecific dissociation or highly specific dissociation at engineered chromophoric sites is possible following photon absorption. The level of specificity and control over fragmentation in these experiments is greater than with other fragmentation methods. Novel techniques made possible by this technology are poised to make substantial contributions to the field of proteomics. 相似文献
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We consider the problem of sampling a Boltzmann‐Gibbs probability distribution when this distribution is restricted (in some suitable sense) on a submanifold Σ of ?n implicitly defined by N constraints q1(x) = ? = qN(x) = 0 (N < n). This problem arises, for example, in systems subject to hard constraints or in the context of free energy calculations. We prove that the constrained stochastic differential equations (i.e., diffusions) proposed in [7, 13] are ergodic with respect to this restricted distribution. We also construct numerical schemes for the integration of the constrained diffusions. Finally, we show how these schemes can be used to compute the gradient of the free energy associated with the constraints. © 2007 Wiley Periodicals, Inc. 相似文献
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Novel regioisomers of 2′-methyl-branched nucleosides were designed and synthesized to mimic potent anti-viral drugs like Valopicitabine. The short and efficient synthesis of the targets involves a one-pot tosylation/cyclization step that leads to an activated furan scaffold on which the isonucleosides were built. 相似文献
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Mathieu Baillif Alexandre Gabard 《Proceedings of the American Mathematical Society》2008,136(3):1105-1111
We analyze the relationship between Hausdorffness and homogeneity in the frame of manifolds not confined to be Hausdorff. We exhibit examples of homogeneous non-Hausdorff manifolds and prove that a Lindelöf homogeneous manifold is Hausdorff.
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Alexandre Gabard 《Archiv der Mathematik》2008,90(3):267-274
We show that (a variation of) the Prüfer surface, which is an example of a separable non-metrizable 2-manifold, does not have
the homotopy type of a CW-complex.
Received: 6 February 2007 Revised: 21 August 2007 相似文献