N_2-DART-Orbitrap中的特征气相离子反应及在西药快速检测中的应用

采用实时直接分析(DART)离子源串联高分辨质谱Orbitrap技术(DART-Orbitrap MS),对8种市售常见西药进行有效成分分析,建立了一种快速、简便、准确测定西药中有效成分的方法.对DART离子源的离子化温度、扫描模式、操作气体种类、辅助溶剂种类及其酸碱性等实验条件进行了优化,得到最佳实验条件.实验结果表明,正谱条件下,采用N_2气作为操作气体时,待测组分准分子离子峰[M+H]+同样具有较高的灵敏度和谱图辨识度.因此,N2气可以替代昂贵的He气作为DART离子源的操作气体用于8种药物有效成分的现场实时检测.该方法具备成本低、快速和操作简便的特点.通过分析待测组分的特征碎片离子,发现了N2-DART离子源中的特征离子反应,包括氧化反应和重排反应.根据获得的特征碎片离子对N_2-DART-MS中发生的反应机理进行推导,并结合理论计算对其进行验证.N_2-DART-MS技术有望应用于复杂基质混合物的现场快速检测中.     

Effect of fluorination on the phase sequence,dielectric and electro-optical properties of ferroelectric and antiferroelectric mixtures

Four multicomponent room temperature mixtures were formulated using a pyrimidine-based achiral matrix as host and four terphenyl-based ester chiral compounds as dopants. Among the four mixtures, two exhibit antiferroelectric and two other exhibit ferroelectric phases at room temperature. Dopant molecules differ from each other by position and number of fluorine atom substitution at the benzoate group of the molecular rigid core. Number and location of fluorine atoms in the dopant structure show significant effect on the phase sequences as well as on different physical properties. All the mixtures found to have moderate spontaneous polarisation, high tilt angle, very fast switching time and low viscosity which are important for liquid crystal-based display applications.     

A fast discontinuous finite element discretization for the space‐time fractional diffusion‐wave equation

In this article, we study fast discontinuous Galerkin finite element methods to solve a space‐time fractional diffusion‐wave equation. We introduce a piecewise‐constant discontinuous finite element method for solving this problem and derive optimal error estimates. Importantly, a fast solution technique to accelerate Toeplitz matrix‐vector multiplications which arise from discontinuous Galerkin finite element discretization is developed. This fast solution technique is based on fast Fourier transform and it depends on the special structure of coefficient matrices. In each temporal step, it helps to reduce the computational work from required by the traditional methods to log , where is the size of the coefficient matrices (number of spatial grid points). Moreover, the applicability and accuracy of the method are verified by numerical experiments including both continuous and discontinuous examples to support our theoretical analysis.© 2017 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 33: 2043–2061, 2017     

The mean of the running maximum of an integrated Gauss–Markov process and the connection with its first-passage time

We find explicit formulae for the mean of the running maximum of conditional and unconditional Brownian motion; they are used to obtain the mean, a(t), of the running maximum of an integrated Gauss–Markov process. Then, we deal with the connection between the moments of its first-passage-time and a(t). As explicit examples, we consider integrated Brownian motion and integrated Ornstein–Uhlenbeck process.     

A stochastic portfolio optimization model with complete memory

In this article, we consider a portfolio optimization problem of the Merton’s type with complete memory over a finite time horizon. The problem is formulated as a stochastic control problem on a finite time horizon and the state evolves according to a process governed by a stochastic process with memory. The goal is to choose investment and consumption controls such that the total expected discounted utility is maximized. Under certain conditions, we derive the explicit solutions for the associated Hamilton–Jacobi–Bellman (HJB) equations in a finite-dimensional space for exponential, logarithmic, and power utility functions. For those utility functions, verification results are established to ensure that the solutions are equal to the value functions, and the optimal controls are also derived.     

Continuity in law with respect to the Hurst index of some additive functionals of sub-fractional Brownian motion

In this article, first, we prove some properties of the sub-fractional Brownian motion introduced by Bojdecki et al. [Statist. Probab. Lett. 69(2004):405–419]. Second, we prove the continuity in law, with respect to small perturbations of the Hurst index, in some anisotropic Besov spaces, of some continuous additive functionals of the sub-fractional Brownian motion. We prove that our result can be obtained easily, by using the decomposition in law of the sub-fractional Brownian motion given by Bardina and Bascompte [Collect. Math. 61(2010):191–204] and Ruiz de Chavez and Tudor [Math. Rep. 11(2009):67–74], without using the result of Wu and Xiao [Stoch. Proc. Appl. 119(2009):1823–1844] by connecting the sub-fractional Brownian motion to its stationary Gaussian process through Lamperti’s transform. This decomposition in law leads to a better understanding and simple proof of our result.     

Error and stability analysis of numerical solution for the time fractional nonlinear Schrödinger equation on scattered data of general‐shaped domains

In present work, a kind of spectral meshless radial point interpolation (SMRPI) technique is applied to the time fractional nonlinear Schrödinger equation in regular and irregular domains. The applied approach is based on erudite combination of meshless methods and spectral collocation techniques. The point interpolation method with the help of radial basis functions is used to construct shape functions which play as basis functions in the frame of SMRPI. It is proved the scheme is unconditionally stable with respect to the time variable in and also convergent by the order of convergence , . In the current work, the thin plate spline are used as the basis functions and to eliminate the nonlinearity, a simple predictor‐corrector (P‐C) scheme is performed. It is shown that the SMRPI solution, as a complex function, is suitable one for the time fractional nonlinear Schrödinger equation. The results of numerical experiments are compared to analytical solutions to confirm the reliable treatment of these stable solutions. © 2016 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 33: 1043–1069, 2017     

一类具有资源约束和优先加工顺序约束极小化加权总完工时间调度优化问题研究

本文针对工件间具有链状优先约束和relocation资源约束的极小化加权总完工时间调度优化问题展开研究.针对这一NP难问题,利用relocation约束的性质和贪婪算法的思想,设计了一个多项式近似算法,并证明了当链不可中断,每个链具有相同工件数和工件间具有相同加工时间时,2为该算法的紧界.     

具有时滞的比率型三种群捕食模型的分支分析

本文研究了一类具有时滞的比率型三种群捕食模型.通过分析该模型的特征方程,证明了该模型在正平衡点的稳定性.通过选择时滞τ为分支参数,得到了当时滞τ通过一系列的临界值时,Hopf分支产生.应用中心流形和规范型理论,得到了关于确定Hopf分支特性的计算公式.最后进行数值模拟验证了我们所得结果的正确性.所得结果是对前人工作的补充.     

Time Discrete Approximation of Weak Solutions to Stochastic Equations of Geophysical Fluid Dynamics and Applications

As a first step towards the numerical analysis of the stochastic primitive equations of the atmosphere and the oceans,the time discretization of these equations by an implicit Euler scheme is studied.From the deterministic point of view,the 3D primitive equations are studied in their full form on a general domain and with physically realistic boundary conditions.From the probabilistic viewpoint,this paper deals with a wide class of nonlinear,state dependent,white noise forcings which may be interpreted in either the It6 or the Stratonovich sense.The proof of convergence of the Euler scheme,which is carried out within an abstract framework,covers the equations for the oceans,the atmosphere,the coupled oceanic-atmospheric system as well as other related geophysical equations.The authors obtain the existence of solutions which are weak in both the PDE and probabilistic sense,a result which is new by itself to the best of our knowledge.