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S. B. Ellis S. J. Kiehl W. S. Hughes K. Schwabe W. C. Gardiner H. L. Sanders H. Yoshimura Hanna Jablezynska-Jedrzewska J. Domański W. A. Dorfman P. Nylén Barbara Stone F. Hovorka W. C. Dearing E. Biilmann W. Kordatzki P. Wulff G. Florence A. Drilhon P. Szigeti O. Tomiček F. Poupě O. Redlich W. Stricks 《Analytical and bioanalytical chemistry》1937,111(2-4):94-104
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The electro-optic response of ferroelectric smectic C* liquid crystals has been studied. Anomalous switching behaviour of such materials which possess a negative dielectric anisotropy has been reported. These materials show a minimum in response time at a sufficiently high field. We present results showing the dependency of this minimum upon spontaneous polarisation and the effect of AC bias. Calculations based upon the equation of motion of the director around the cone are presented which describe this effect and its dependence on the relative magnitudes of the spontaneous polarization and dielectric anisotropy of the material. Good agreement with the experimental results is found. 相似文献
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Diane L. Levesque Eng-Chi Wang Dau-Chang Wei Cherng-Chyi Tzeng Raymond P. Panzica Fardos N. M. Naguib Mahmoud H. El Kouni 《Journal of heterocyclic chemistry》1993,30(5):1399-1404
A new series of potent uridine phosphorylase inhibitors have been prepared from barbituric acid. Among them, 1-[(2-hydroxyethoxy)methyl]-5-)(m--benzyloxy)benzylbarbituric acid ( 37 , BBBA) is the most promising having a Ki value of 1.1 ± 0.2 nM with uridine phosphorylase from human liver. The new inhibitors are easily synthesized and are better inhibitors of human uridine phosphorylase than their uracil counterparts. 相似文献
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In a previous paper we gave a new formulation and derived the Euler equations and other necessary conditions to solve strong, pathwise, stochastic variational problems with trajectories driven by Brownian motion. Thus, unlike current methods which minimize the control over deterministic functionals (the expected value), we find the control which gives the critical point solution of random functionals of a Brownian path and then, if we choose, find the expected value.This increase in information is balanced by the fact that our methods are anticipative while current methods are not. However, our methods are more directly connected to the theory and meaningful examples of deterministic variational theory and provide better means of solution for free and constrained problems. In addition, examples indicate that there are methods to obtain nonanticipative solutions from our equations although the anticipative optimal cost function has smaller expected value.In this paper we give new, efficient numerical methods to find the solution of these problems in the quadratic case. Of interest is that our numerical solution has a maximal, a priori, pointwise error of O(h3/2) where h is the node size. We believe our results are unique for any theory of stochastic control and that our methods of proof involve new and sophisticated ideas for strong solutions which extend previous deterministic results by the first author where the error was O(h2).We note that, although our solutions are given in terms of stochastic differential equations, we are not using the now standard numerical methods for stochastic differential equations. Instead we find an approximation to the critical point solution of the variational problem using relations derived from setting to zero the directional derivative of the cost functional in the direction of simple test functions.Our results are even more significant than they first appear because we can reformulate stochastic control problems or constrained calculus of variations problems in the unconstrained, stochastic calculus of variations formulation of this paper. This will allow us to find efficient and accurate numerical solutions for general constrained, stochastic optimization problems. This is not yet being done, even in the deterministic case, except by the first author. 相似文献
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A semiclassical reactive flux method for the calculation of condensed phase activated rate constants
A semi classical reactive flux algorithm for calculating thermally activated rate constants is presented which is based on a semi-classical transition state theory due to Chapman, Garrett and Miller [J. Chem. Phys. 63 (1975) 2710]. This reactive flux technique, when combined with the semiclassical TST, enables one to describe dynamical recrossings of the transition state on the same footing as tunneling effects. Most importantly, the method is readily applied to nonlinear multidimensional systems over a wide range of temperatures. It will be shown that the method works very well for a variety of existing models. 相似文献
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