Evaluation of relative LC/MS response of metabolites to parent drug in LC/nanospray ionization mass spectrometry: potential implications in MIST assessment

There is an increasing demand for quantitative data on metabolite exposure triggered by regulatory guidances. This contribution describes the accuracy of nanoelectrospray ionization mass spectrometry response of drug compounds and their metabolites from biological matrices compared with radiometric quantification. This is a comprehensive investigation of a set of real-life pharmaceutical compounds in relevant matrices such as urine, bile, feces and plasma. The data suggest that nanoelectrospray mass spectrometry can be used for semi-quantitation of metabolites in the absence of reference standards. Therefore, this approach is suitable to screen out non-relevant metabolites early in development as long as an adequate analytical error margin is applied thus balancing risks and resources.     

Superconvergence analysis of finite element method for Poisson–Nernst–Planck equations

This article concerns with the superconvergence analysis of bilinear finite element method (FEM) for nonlinear Poisson–Nernst–Planck (PNP) equations. By employing high accuracy integral identities together with mean value technique, the superclose estimates in H¹‐norm are derived for the semi‐discrete and the backward Euler fully‐discrete schemes, which improve the suboptimal error estimate in L²‐norm in the previous literature. Furthermore, the global superconvergence results in H¹‐norm are obtained through interpolation postprocessing approach. Finally, a numerical example is provided to confirm the theoretical analysis.     

Semi‐analytical solution of MHD flow through boundary integrals on the pipe wall

A mathematical model is given for the magnetohydrodynamic (MHD) pipe flow as an inner Dirichlet problem in a 2D circular cross section of the pipe, coupled with an outer Dirichlet or Neumann magnetic problem. Inner Dirichlet problem is given as the coupled convection‐diffusion equations for the velocity and the induced current of the fluid coupling also to the outer problem, which is defined with the Laplace equation for the induced magnetic field of the exterior region with either Dirichlet or Neumann boundary condition. Unique solution of inner Dirichlet problem is obtained theoretically reducing it into two boundary integral equations defined on the boundary by using the corresponding fundamental solutions. Exterior solution is also given theoretically on the pipe wall with Poisson integral, and it is unique with Dirichlet boundary condition but exists with an additive constant obtained through coupled boundary and solvability conditions in Neumann wall condition. The collocation method is used to discretize these boundary integrals on the pipe wall. Thus, the proposed procedure is an improved theoretical analysis for combining the solution methods for the interior and exterior regions, which are consolidated numerically showing the flow behavior. The solution is simulated for several values of problem parameters, and the well‐known MHD characteristics are observed inside the pipe for increasing values of Hartmann number maintaining the continuity of induced currents on the pipe wall.     

Determination of Chloride Content in Different Types of Cement Using Laser-Induced Breakdown Spectroscopy

The characterization and accurate determination of the chloride content in cement/concrete is very important for the assessment of the durability and safety of a concrete structure. The available analytical techniques are relatively expensive and time consuming. In this study, a laser-induced breakdown spectroscopy (LIBS) system was used for determination of elemental composition in three different types of cement samples. The plasma was generated by focusing a pulsed Nd: YAG laser at 1064 nm on the cement samples. The concentrations of different elements of significance for structural stability in cement samples were determined. The evaluation of the potential and the capabilities of LIBS as a rapid tool for characterization of cement samples is discussed. The optimum LIBS setup and experimental conditions to detect and measure chloride in building materials are reported. The LIBS results were compared with the results obtained using a standard analytical technique such as inductively coupled plasma emission spectroscopy (ICP–ES). The limits of detection were determined, and calibration curves were measured. The results of this investigation indicate the reliability of LIBS to characterize different cement samples and to assess the chloride content in these cements.     

On-line detection of emulsion polymerization by solid-state NMR spectroscopy

 The on-line detection of emulsion polymerization processes by means of solid-state NMR spectroscopy is demonstrated for the first time using poly(butyl acrylate) as a model system. Relatively short time intervals are accessible via ¹H detection while the use of ¹³C NMR spectroscopy results in an increased spectral resolution. Details of sample preparation and experimental techniques are given, while remaining artifacts of the preliminary results will be addressed in further investigations. Received: 7 November 1997 Accepted: 5 January 1998     

一种大视场相位测量轮廓术系统标定方法

在进行大视场相位测量轮廓术系统参量标定时需要大的标定平面和精密移动台,由于携带不方便,不易进行现场标定。提出了一种用于相位测量轮廓术系统参量的高精度、现场标定方法,采用一块较小的平面标定靶在有效测量体积内不同位置多次摆放,以获取密集的数据点。先标定出摄像机的内参量和外参量,再指定一个全局参考平面和若干辅助参考平面,然后在图像平面上分区计算出每个位置标定靶上每点相对辅助参考平面的高度差和相位差,最后应用极大似然估计法估计出相位高度映射参量。实验中平面高度测量的标准偏差达到0.0433 mm。这种方法只需要较小的平面标定靶,标定过程方便、精度高,完全适合大视场三维测量相位测量轮廓术系统现场标定要求。     

Monitoring process for attributes with quality deterioration and diagnosis errors

The aim of this paper is to present an online economical quality-control procedure for attributes in a process subject to quality deterioration after random shift and misclassification errors during inspections. The process starts in control (State I) and, in a random time, it shifts to out of control (State II). Once at State II, the non-conforming fraction increases according to a non-decreasing function ψ(z), where z is the number of items produced after a shift. The monitoring procedure consists of inspecting a single item at every m produced items, which is examined r times independently to decide its condition. Once an inspected item is declared non-conforming, the process is stopped and adjusted. A direct search technique is used to find the optimum parameters which minimize the expected cost function. The proposed model is illustrated by a numerical example. Copyright © 2007 John Wiley & Sons, Ltd.     

体上的矩阵方程AXA=B

设Ｆ和Ω分别表示一个对合反自同构的体，一个加强Ｐ除环，本文定义了Ω上的亚（半）正定矩阵，给出了矩阵方程ＡＸＡ＾＊＝Ｂ在Ｆ上有（斜）自共轭矩阵解及在Ω上有亚（半）正定矩阵解的充要条件及其解集的显式表示。     

SQP algorithms for solving Toeplitz matrix approximation problem

Given an n × n matrix F, we find the nearest symmetric positive semi‐definite Toeplitz matrix T to F. The problem is formulated as a non‐linear minimization problem with positive semi‐definite Toeplitz matrix as constraints. Then a computational framework is given. An algorithm with rapid convergence is obtained by l₁ Sequential Quadratic Programming (SQP) method. Copyright © 2002 John Wiley & Sons, Ltd.     

体上右线性方程组的反问题

设Ｆ，Ｋ，Ω分别表示一个任意的体、一个具有对合反自同构的体和一个实四元数体，Ｆ^ｎ表示Ｆ上的ｎ维右向量空间．本文推广和改进了实线性方程组的反问题及一系列结果，解决了Ｆ上右线性方程组更具一般性的反问题（简称ＩＰＳ）：给定ｂ∈Ｆ^s和α_ｉ∈Ｆ^ｎ（ｉ＝１，…，ｍ≤ｎ）满足ｒａｎｋ［α₁，…，α_m］＝ｍ，求所有的ｓ×ｎ矩阵Ａ使Ａα_ｉ＝ｂ（ｉ＝１，…，ｍ）．当ｓ＝ｎ时