Identifying aspirin polymorphs from combined DFT-based crystal structure prediction and solid-state NMR

A combined experimental and computational approach was used to distinguish between different polymorphs of the pharmaceutical drug aspirin. This method involves the use of ab initio random structure searching (AIRSS), a density functional theory (DFT)-based crystal structure prediction method for the high-accuracy prediction of polymorphic structures, with DFT calculations of nuclear magnetic resonance (NMR) parameters and solid-state NMR experiments at natural abundance. AIRSS was used to predict the crystal structures of form-I and form-II of aspirin. The root-mean-square deviation between experimental and calculated ¹H chemical shifts was used to identify form-I as the polymorph present in the experimental sample, the selection being successful despite the large similarities between the molecular environments in the crystals of the two polymorphs.     

Semilinear wave models with friction and viscoelastic damping

In this paper, we study the global (in time) existence of small data solutions to the Cauchy problem for the semilinear wave equation with friction, viscoelastic damping, and a power nonlinearity. We are interested in the connection between regularity assumptions for the data and the admissible range of exponents p in the power nonlinearity.     

Boundedness of commutators on homogeneous Herz spaces

The boundedness on homogeneous Herz spaces is established for a large class of linear commutators generated by BMO(R ⁿ ) functions and linear operators of rough kernels which include the Calderón-Zygmund operators and the Ricci-Stein oRfiUatory singular integrals with rough kernels. Project supponed in pan by the National h’atural Science Foundation of China (Grant No. 19131080) and the NEDF of China.     

Inequalities for the Moments and Distribution of the Ladder Height of a Random Walk

We obtain upper bounds for the tail distribution of the first nonnegative sum of a random walk and for the moments of the overshoot over an arbitrary nonnegative level if the expectation of jumps is positive and close to zero. In addition, we find an estimate for the expectation of the first ladder epoch.     

Continuity of Multilinear Operators in Weighted Herz Spaces with Extreme Exponents

Continuity is obtained of some multilinear operators related to certain integral operators for the weighted Herz spaces with extreme exponents. The operators include the Littlewood–Paley and Marcinkiewicz operators.     

Asymptotic expansions for eigenvalues in the presence of small inhomogeneities

We provide a rigorous derivation of an asymptotic formula for perturbations in the eigenvalues caused by the presence of a finite number of inhomogeneities of small diameter with conductivity different from the background conductivity. Copyright © 2003 John Wiley & Sons, Ltd.     

高功率激光驱动器中小尺度自聚焦和噪声模型

 建立了一套线性的近似分析方法，研究高功率激光驱动器中强激光传输的小尺度自聚焦效应和相位噪声对光束传输和光束质量的影响，给出了系统噪声强度、B积分值与光束近场调制对比度之间的定量关系。研究表明,为保证输出光束质量，即近场调制对比度小于给定值，系统内的噪声强度必须符合一定的谱分布。     

On parabolic equations with a small parameter

A singularly perturbed parabolic equation with a nonlinear right-hand side of a special form is examined. A numerical analytical study of such equations is performed.     

Persistence of Floquet invariant tori for a class of non-conservative dynamical systems

In this paper we consider a class of non-conservative dynamical system with small perturbation. By the KAM method we prove existence of Floquet invariant tori under the weakest non-resonant conditions.

     

关于多线性振荡奇异积分在加权Hardy-型空间上的一致估计

本文对一类具有光滑位相函数的多线性振荡奇异积分算子建立了一致的加权（H^1(R^n),L^1(R^n))估计及一致的加权（HKp(R^n),Kp(R^n)估计。