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111.
Christophe Berthon Françoise Foucher Tomás Morales 《Numerical Methods for Partial Differential Equations》2015,31(5):1396-1423
We consider the numerical approximation of the weak solutions of the two‐layer shallow‐water equations. The model under consideration is made of two usual one‐layer shallow‐water model coupled by nonconservative products. Because of the nonconservative products of the system, which couple both one‐layer shallow‐water subsystems, the usual numerical methods have to consider the full model. Of course, uncoupled numerical techniques, just involving finite volume schemes for the basic shallow‐water equations, are very attractive since they are very easy to implement and they are costless. Recently, a stable layer splitting technique was introduced [Bouchut and Morales de Luna, M2AN Math Model Numer Anal 42 (2008), 683–698]. In the same spirit, we exhibit new splitting technique, which is proved to be well balanced and non‐negative preserving. The main benefit issuing from the here derived uncoupled method is the ability to correctly approximate the solution of very severe benchmarks. © 2014 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 31: 1396–1423, 2015 相似文献
112.
For equations of order two with the Dirichlet boundary condition, as the Laplace problem, the Stokes and the Navier-Stokes systems, perforated domains were only studied when the distance between the holes d_ε is equal to or much larger than the size of the holes ε. Such a diluted porous medium is interesting because it contains some cases where we have a non-negligible effect on the solution when(ε, d_ε) →(0, 0).Smaller distances were avoided for mathematical reasons and for these large distances, the geometry of the holes does not affect or rarely affect the asymptotic result. Very recently, it was shown for the 2D-Euler equations that a porous medium is non-negligible only for inter-holes distances much smaller than the sizes of the holes.For this result, the boundary regularity of holes plays a crucial role, and the permeability criterion depends on the geometry of the lateral boundary. In this paper, we relax slightly the regularity condition, allowing a corner, and we note that a line of irregular obstacles cannot slow down a perfect fluid in any regime such thatε ln d_ε→ 0. 相似文献
113.
Electrical poling induces polar ordering of molecules in a grating that has been holographically inscribed on a thin film of polymer with azobenzene side chains. The resulting chi2 grating, seen by second-harmonic-generation (SHG) near-field scanning optical microscopy, can have a periodic structure that is significantly different from the topographical image. The far-field linear and SHG diffration patterns correlate well with the grating structures. Poling of the thin-film grating, which presumably has photodriven nonuniform material properties within each period, leads to the more complex structure of the chi2 grating. 相似文献
114.
The moduli space of torus sextics with the configuration of singularities {A2+A5+2E6} has two connected components. We compute the fundamental groups π1(CP2−C) for sextics C in both components and study their differences. 相似文献
115.
In this paper, the influence functions and limiting distributions of the canonical correlations and coefficients based on affine equivariant scatter matrices are developed for elliptically symmetric distributions. General formulas for limiting variances and covariances of the canonical correlations and canonical vectors based on scatter matrices are obtained. Also the use of the so-called shape matrices in canonical analysis is investigated. The scatter and shape matrices based on the affine equivariant Sign Covariance Matrix as well as the Tyler's shape matrix serve as examples. Their finite sample and limiting efficiencies are compared to those of the Minimum Covariance Determinant estimators and S-estimator through theoretical and simulation studies. The theory is illustrated by an example. 相似文献
116.
117.
Md Shahadat Hossan Mohammed Khaled Bin Break Tracey D. Bradshaw Hilary M. Collins Christophe Wiart Teng-Jin Khoo Ahmed Alafnan 《Molecules (Basel, Switzerland)》2021,26(8)
Cardamonin is a polyphenolic natural product that has been shown to possess cytotoxic activity against a variety of cancer cell lines. We previously reported the semi-synthesis of a novel Cu (II)–cardamonin complex (19) that demonstrated potent antitumour activity. In this study, we further investigated the bioactivity of 19 against MDA-MB-468 and PANC-1 cancer cells in an attempt to discover an effective treatment for triple-negative breast cancer (TNBC) and pancreatic cancer, respectively. Results revealed that 19 abolished the formation of MDA-MB-468 and PANC-1 colonies, exerted growth-inhibitory activity, and inhibited cancer cell migration. Further mechanistic studies showed that 19 induced DNA damage resulting in gap 2 (G2)/mitosis (M) phase arrest and microtubule network disruption. Moreover, 19 generated reactive oxygen species (ROS) that may contribute to induction of apoptosis, corroborated by activation of caspase-3/7, PARP cleavage, and downregulation of Mcl-1. Complex 19 also decreased the expression levels of p-Akt and p-4EBP1, which indicates that the compound exerts its activity, at least in part, via inhibition of Akt signalling. Furthermore, 19 decreased the expression of c-Myc in PANC-1 cells only, which suggests that it may exert its bioactivity via multiple mechanisms of action. These results demonstrate the potential of 19 as a therapeutic agent for TNBC and pancreatic cancer. 相似文献
118.
Philippe Hennig Eric Raimbaud Christophe Thurieau Jean-Paul Volland André Michel Jean-Luc Fauchère 《Journal of computer-aided molecular design》1996,10(1):83-86
Summary The conformation in dimethylsulfoxide of the somatostatin derivative angiopeptin and of three disulfide-free analogs was estimated by two-dimensional nuclear magnetic resonance spectroscopy at room temperature. The resulting 3D molecular graphics were compared and shown to reflect the observed differences in the inhibition of restenosis after rat aorta balloon injury by these octapeptide inhibitors. Angiopeptin and its active analog 2 displayed a relatively rigid conformation of the cyclic hexapeptide backbone due to the presence of two well-defined hydrogen bonds, further stabilized by a third hydrogen bond outside the ring. No such constraints were detected for the two biologically inactive analogs, which, compared to 2, had a two-atom longer or shorter hexapeptide ring. The well-defined structure of compound 2 may serve as an improved pharmacophore for this new class of drugs. 相似文献
119.
Dr. Yann Gloaguen Christophe Rebreyend Dr. Martin Lutz Pravin Kumar Dr. Martina Huber Dr. Ir. Jarl Ivar van der Vlugt Prof. Dr. Sven Schneider Prof. Dr. Bas de Bruin 《Angewandte Chemie (International ed. in English)》2014,53(26):6814-6818
Photochemical activation of [(PNNH)Rh(N3)] (PNNH=6‐di‐(tert‐butyl)phosphinomethyl‐2,2′‐bipyridine) complex 2 produced the paramagnetic (S=1/2), [(PNN)Rh?N.‐Rh(PNN)] complex 3 (PNN?=methylene‐deprotonated PNNH), which could be crystallographically characterized. Spectroscopic investigation of 3 indicates a predominant nitridyl radical (.N2?) character, which was confirmed computationally. Complex 3 reacts selectively with CO, producing two equivalents of [(PNN)RhI(CO)] complex 4 , presumably by nitridyl radical N,N‐coupling. 相似文献
120.
Xiaoyu Ren Dr. Christophe Gourlaouen Dr. Marcel Wesolek Dr. Pierre Braunstein 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2017,129(41):12731-12734
The imidazolium chloride [C3H3N(C3H6NMe2)N{C(Me)(=NDipp)}]Cl ( 1 ; Dipp=2,6‐diisopropyl phenyl), a potential precursor to a tritopic NimineCNHCNamine pincer‐type ligand, reacted with [Ni(cod)2] to give the NiI‐NiI complex 2 , which contains a rare cod‐derived η3‐allyl‐type bridging ligand. The implied intermediate formation of a nickel hydride through oxidative addition of the imidazolium C−H bond did not occur with the symmetrical imidazolium chloride [C3H3N2{C(Me)(=NDipp)}2]Cl ( 3 ). Instead, a Ni−C(sp3) bond was formed, leading to the neutral NimineCHNimine pincer‐type complex Ni[C3H3N2{C(Me)(=NDipp)}2]Cl ( 4 ). Theoretical studies showed that this highly unusual feature in nickel NHC chemistry is due to steric constraints induced by the N substituents, which prevent Ni−H bond formation. Remarkably, ethylene inserted into the C(sp3)−H bond of 4 without nickel hydride formation, thus suggesting new pathways for the alkylation of non‐activated C−H bonds. 相似文献