A new insight into the understanding of the collapsed form of poly(N-isopropylacrylamide) molecules

Possible collapsed forms of poly(N-isopropylacrylamide) molecules are reviewed on the basis of first principle calculations. Various configurations and associated conformations are detailed. The calculated optimized structures exhibit different possibilities of creating networks of intra-molecular bonds of the hydrogen type. We show that the most remarkable one is able to form a local, self-saturated and well ordered helix. We also indicate in which direction the synthesis of the molecule should be oriented to improve its global behavior in term of hydrophobic/hydrophilic behavior.     

Necessary conditions and non-existence results for autonomous nonconvex variational problems

Classical one-dimensional, autonomous Lagrange problems are considered. In absence of any smoothness, convexity or coercivity condition on the energy density, we prove a DuBois-Reymond type necessary condition, expressed as a differential inclusion involving the subdifferential of convex analysis. As a consequence, a non-existence result is obtained.     

广义分解定理与两个不等式

本文给出了Banach空间广义分解定理的一个初等证明,并利用它来证明两个对称不等式.这是首次在Banach空间获得这样的不等式.     

Chemical reactivity of hypervalent silicon compounds: The local hard and soft acids and bases principle viewpoint

The silicon atom may increase its coordination number to values greater than four, to form pentacoordinated compounds. It has been observed experimentally that, in general, pentacoordinated compounds show greater reactivity than tetracoordinated compounds. In this work, density functional theory is used to calculate the global softness and the condensed softness of the silicon atom for SiH _n F_4−n and SiH _n F _5−n ¹⁻ . The values obtained show that the global and condensed softness are greater in the pentacoordinated compounds than in the tetracoordinated compounds, a result that explains the enhanced reactivity. If the results are analysed through a local version of the hard and soft acids and bases principle, it is possible to suggest that in nucleophilic substitution reactions, soft nucleophiles preferably react with SiH _n F _5−n ¹⁻ , and hard nucleophiles with SiH _n F_4−n .     

Unified approach to photo-and electro-production of mesons with arbitrary spins

A new approach to identify the independent amplitudes along with their partial wave multipole expansions, for photo-and electro-production is suggested, which is generally applicable to mesons with arbitrary spin-parity. These amplitudes facilitate direct identification of different resonance contributions.      

用于ψ＇→γ＇xcJ→γ＇γJ/ψ过程中多极分析的产生子

为了实验研究粲偶素ψ＇级联衰变过程ψ＇→γ＇xcJ→γ＇γJ/ψ,一个用于正确描述全部末态角分布的产生子是必要的．可以通过分析角分布的关联来确定这一过程的多极展开参数（或者等效的螺旋度振幅），而从中可以知道高阶电磁多极矩和相对论修正的贡献，同时可以检验ψ＇是不是ψ＇（2S）和ψ＇（1D）的混合．介绍了一个能完全描述这一过程的角分布的产生子，同时讨论了测量多极参数的测量方法．这些都可以被用在BESⅢ或者CLEOc的分析当中．     

Normality of the maximum principle for nonconvex constrained Bolza problems

We consider a Bolza optimal control problem with state constraints. It is well known that under some technical assumptions every strong local minimizer of this problem satisfies first order necessary optimality conditions in the form of a constrained maximum principle. In general, the maximum principle may be abnormal or even degenerate and so does not provide a sufficient information about optimal controls. In the recent literature some sufficient conditions were proposed to guarantee that at least one maximum principle is nondegenerate, cf. [A.V. Arutyanov, S.M. Aseev, Investigation of the degeneracy phenomenon of the maximum principle for optimal control problems with state constraints, SIAM J. Control Optim. 35 (1997) 930–952; F. Rampazzo, R.B. Vinter, A theorem on existence of neighbouring trajectories satisfying a state constraint, with applications to optimal control, IMA 16 (4) (1999) 335–351; F. Rampazzo, R.B. Vinter, Degenerate optimal control problems with state constraints, SIAM J. Control Optim. 39 (4) (2000) 989–1007]. Our aim is to show that actually conditions of a similar nature guarantee normality of every nondegenerate maximum principle. In particular we allow the initial condition to be fixed and the state constraints to be nonsmooth. To prove normality we use J. Yorke type linearization of control systems and show the existence of a solution to a linearized control system satisfying new state constraints defined, in turn, by linearization of the original set of constraints along an extremal trajectory.     

介质极化的瞬时相位与振幅

求解电子运动的二阶微分方程，在旋转波近似下，介质在外场突然变化时产生的瞬态感应极化与外场同频，但相位总是落后，最大落后为π/2；振幅大小与初态有关，随时间按指数规律衰减，衰减快慢由介质的阻尼系数决定。     

Convex dominates concave: An exclusion principle in discrete-time Kolmogorov systems

We establish an exclusion principle in discrete-time Kolmogorov systems by using average Liapunov functions. The exclusion principle shows that a weakly dominant species with a convex logarithmic growth rate function eliminates species with concave logarithmic growth rate functions. A general result is applied to specific population models. This application gives an improved exclusion principle for the specific population models.

     

An implicit method for linear ill‐posed problems with perturbed operators

An implicit iterative method is applied to solving linear ill‐posed problems with perturbed operators. It is proved that the optimal convergence rate can be obtained after choosing suitable number of iterations. A generalized Morozov's discrepancy principle is proposed for the problems, and then the optimal convergence rate can also be obtained by an a posteriori strategy. The convergence results show that the algorithm is a robust regularization method. Copyright © 2006 John Wiley & Sons, Ltd.