Hydrophilic interaction liquid chromatography tandem mass spectrometry analysis of malonyl‐coenzyme A in breast cancer cell cultures applying online solid‐phase extraction

Cofactors such as coenzyme A and its derivatives acetyl‐coenzyme A and malonyl‐coenzyme A are involved in many metabolic pathways. Due to trace level concentrations in biological samples and the high reactivity of cofactors, a fast, sensitive, and selective method for quantification is mandatory. In this study, online solid‐phase extraction was coupled successfully to hydrophilic interaction liquid chromatography with tandem mass spectrometry for isolation of analytes in complex matrix and quantification by external calibration. Online solid‐phase extraction was carried out by application of a weak anion‐exchange column, whereas hydrophilic interaction liquid chromatography separation was performed on an amide modified stationary phase. Sample preparation of the extracts before the analysis was reduced to a centrifugation and dilution step. Moreover, the applied online solid‐phase extraction significantly reduced matrix effects and increased the signal‐to‐noise ratio. The limit of detection and the limit of quantification were in the lower nanomolar range. Finally, the applicability of this method was demonstrated on MCF‐7 breast cancer cell cultures, a commonly used model system, where acetyl‐coenzyme A and malonyl‐coenzyme A were determined using standard addition procedure in concentrations of 1.98 μM and 41 nM, respectively.     

A second‐order ensemble method based on a blended backward differentiation formula timestepping scheme for time‐dependent Navier–Stokes equations

We present a second‐order ensemble method based on a blended three‐step backward differentiation formula (BDF) timestepping scheme to compute an ensemble of Navier–Stokes equations. Compared with the only existing second‐order ensemble method that combines the two‐step BDF timestepping scheme and a special explicit second‐order Adams–Bashforth treatment of the advection term, this method is more accurate with nominal increase in computational cost. We give comprehensive stability and error analysis for the method. Numerical examples are also provided to verify theoretical results and demonstrate the improved accuracy of the method. © 2016 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 33: 34–61, 2017     

经方量化归经研究中的向量矩阵应用

在经方量化归经研究中发现,药物组成的归经量化问题,若以五维向量表示更能体现其药物的归经方向和归经比例.利用向量矩阵分析方法给出了方剂归经量化的一种全新的量化模型体系,并以此研究方剂归经的量化规律及其应用特点.     

Estimation of the limit of detection using information theory measures

Definitions of the limit of detection (LOD) based on the probability of false positive and/or false negative errors have been proposed over the past years. Although such definitions are straightforward and valid for any kind of analytical system, proposed methodologies to estimate the LOD are usually simplified to signals with Gaussian noise. Additionally, there is a general misconception that two systems with the same LOD provide the same amount of information on the source regardless of the prior probability of presenting a blank/analyte sample. Based upon an analogy between an analytical system and a binary communication channel, in this paper we show that the amount of information that can be extracted from an analytical system depends on the probability of presenting the two different possible states. We propose a new definition of LOD utilizing information theory tools that deals with noise of any kind and allows the introduction of prior knowledge easily. Unlike most traditional LOD estimation approaches, the proposed definition is based on the amount of information that the chemical instrumentation system provides on the chemical information source. Our findings indicate that the benchmark of analytical systems based on the ability to provide information about the presence/absence of the analyte (our proposed approach) is a more general and proper framework, while converging to the usual values when dealing with Gaussian noise.     

Large deviation theory for a homogenized and “corrected” elliptic ODE

We study a one-dimensional elliptic problem with highly oscillatory random diffusion coefficient. We derive a homogenized solution and a so-called Gaussian corrector. We also prove a “pointwise” large deviation principle (LDP) for the full solution and approximate this LDP with a more tractable form. Applications to uncertainty quantification are considered.     

A version of Orlicz-Pettis Theorem for quasi-homogeneous operator space

A version of Orlicz-Pettis Theorem is established for multiplier convergent series and quasi-homogeneous operator. Applications to spaces of quasi-homogeneous operators are given.     

An alternative approach to Privault's discrete-time chaotic calculus

In this paper, we present an alternative approach to Privault's discrete-time chaotic calculus. Let Z be an appropriate stochastic process indexed by N (the set of nonnegative integers) and l²(Γ) the space of square summable functions defined on Γ (the finite power set of N). First we introduce a stochastic integral operator J with respect to Z, which, unlike discrete multiple Wiener integral operators, acts on l²(Γ). And then we show how to define the gradient and divergence by means of the operator J and the combinatorial properties of l²(Γ). We also prove in our setting the main results of the discrete-time chaotic calculus like the Clark formula, the integration by parts formula, etc. Finally we show an application of the gradient and divergence operators to quantum probability.     

A Study of Hyperbolicity of Kinetic Stochastic Galerkin System for the Isentropic Euler Equations with Uncertainty

The authors study the fluid dynamic behavior of the stochastic Galerkin (SG for short) approximation to the kinetic Fokker-Planck equation with random uncertainty. While the SG system at the kinetic level is hyperbolic, its fluid dynamic limit, as the Knudsen number goes to zero and the underlying kinetic equation approaches to the uncertain isentropic Euler equations, is not necessarily hyperbolic, as will be shown in the case study fashion for various orders of the SG approximations.     

不确定结构时域响应分析的多项式维数分解法

针对具有不确定参数结构,提出时域不确定性传播和量化的多项式维数分解法,确定了结构响应统计量的演变过程.首先,采用参数概率模型来描述结构参数的不确定性,建立结构动力学方程,将结构响应表达为不确定参数的函数;进一步,将所关心的结构响应采用成员函数进行维数分解,并利用正交多项式基底对成员函数进行Fourier展开;最后,应用降维积分方法进行展开系数的求解,给出了响应均值和标准差的计算表达式.在数值算例中,将本文方法与蒙特卡洛方法进行对比,结果表明所建立方法具有较高的求解效率和计算精度.     

电源电路抗γ总剂量辐射性能建模与裕量与不确定性量化评估

针对电源电路抗总剂量辐射性能评估问题,建立了元器件和电路的性能模型,并搭建测试电路对模型进行了测试。开展了辐照敏感关键元器件的总剂量辐照试验,获取了元器件关键参数随累积总剂量变化的实验数据,将参数变化规律注入模型,开展了电源电路抗辐射性能仿真,获得了电路关键特征参数输出电压随累积总剂量的变化规律。采用裕量与不确定性量化(QMU)方法对电源电路的抗辐射性能进行评估,并与电路实际辐照实验结果进行对比,结果表明,QMU评估结果与实际实验结果保持了较好的一致性。