超高效液相色谱-大气压化学电离-三重四极杆质谱联用法快速测定食品中苯并[a]芘

建立了快速检测食品中苯并[a]芘的超高效液相色谱-三重四极杆质谱联用(UPLC-MS/MS)分析方法。样品用正己烷提取后,经分子印迹固相萃取柱净化,以甲醇和水作为流动相进行梯度洗脱,在XBridge BEH C18柱上实现分离,大气压化学电离(APCI)-三重四极杆质谱正离子MRM方式检测,以苯并[a]芘-d12作为内标的稳定同位素稀释法定量。方法的线性范围为0.07~50μg/kg,定量限为0.07μg/kg。平均加标回收率为86%~104%,相对标准偏差为2.3%~14%。该方法灵敏、准确,适用于食品中苯并[a]芘的测定,已应用于实际样品的检查。     

Slc11a2第六跨膜区在十二烷基磷酰胆碱胶束中的结构

采用圆二色谱和核磁共振波谱研究了Slc11a2第六跨膜区在十二烷基磷酰胆碱(DPC)膜模拟环境中的结构和定位.结果表明,Slc11a2第六跨膜区在DPC胶束中N端和C端各形成一小段α螺旋,两段螺旋中间通过高度灵活的区域连接,整个肽插入到DPC胶束中.H267A突变使螺旋长度变长,H272A突变使螺旋长度略有变短,突变后结构的变化可能和蛋白功能缺失相关.     

Local and parallel finite element algorithm for stationary incompressible magnetohydrodynamics

This article presents a local and parallel finite element method for the stationary incompressible magnetohydrodynamics problem. The key idea of this algorithm comes from the two‐grid discretization technique. Specifically, we solve the nonlinear system on a global coarse mesh, and then solve a series of linear problems on several subdomains in parallel. Furthermore, local a priori estimates are obtained on a general shape regular grid. The efficiency of the algorithm is also illustrated by some numerical experiments.© 2017 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 33: 1513–1539, 2017     

Finite element analysis and approximation of Burgers’‐Fisher equation

In this article, the authors present finite element analysis and approximation of Burgers’‐Fisher equation. Existence and uniqueness of weak solution is proved by Galerkin's finite element method for non‐smooth initial data. Next, a priori error estimates of semi‐discrete solution in norm, are derived and the convergence of semi‐discrete solution is established. Then, fully discretization of the problem is done with the help of Euler's backward method. The nonlinearity is removed by lagging it to previous known level. The scheme is found to be convergent. Positivity of fully discrete solution is discussed, and bounds on time step are discovered for which the solution preserves its positivity. Finally, numerical experiments are performed on some examples to demonstrate the effectiveness of the scheme. The proposed scheme found to be fast, easy and accurate.© 2017 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 33: 1652–1677, 2017     

A note on functional a posteriori estimates for elliptic optimal control problems

In this work, new results on functional type a posteriori estimates for elliptic optimal control problems with control constraints are presented. More precisely, we derive new, sharp, guaranteed, and fully computable lower bounds for the cost functional in addition to the already existing upper bounds. Using both, the lower and the upper bounds, we arrive at two‐sided estimates for the cost functional. We prove that these bounds finally lead to sharp, guaranteed and fully computable upper estimates for the discretization error in the state and the control of the optimal control problem. First numerical tests are presented confirming the efficiency of the a posteriori estimates derived. © 2016 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 33: 403–424, 2017     

Degasperis-Procesi方程的类孤子新解

利用辅助方程与函数变换相结合的方法,构造了Degasperis-Procesi(D-P)方程的无穷序列类孤子新解.首先,通过两种函数变换,把D-P方程化为常微分方程组.然后,利用常微分方程组的首次积分,把D-P方程的求解问题化为几种常微分方程的求解问题.最后,利用几种常微分方程的Bcklund变换等相关结论,构造了D-P方程的无穷序列类孤子新解.这里包括由Riemannθ函数、Jacobi椭圆函数、双曲函数、三角函数和有理函数组成的无穷序列光滑孤立子解、尖峰孤立子解和紧孤立子解.     

Development of 1,3a,6a-triazapentalene-labeled enterobactin as a fluorescence quenching sensor of iron ion

1,3a,6a-Triazapentalene (TAP)-labeled enterobactin was developed as an iron ion sensor. 3-Acetylated-TAP was successfully introduced to the catechol ring of enterobactin, a well-recognized siderophore secreted by various Gram-negative bacteria. The fluorescence of TAP-labeled enterobactin decreased gradually as the amount of Fe³⁺ ion as an additive was increased, and 1.2 equiv of Fe³⁺ ion completely quenched the fluorescence. In clear contrast, when other metal ions were used, the fluorescence of TAP-labeled enterobactin remained even at 5.0 equiv.     

Microstructure of nickel nanoparticles embedded in carbon films: case study on annealing effect by micromorphology analysis

The presented study is aimed at analyzing the surface texture of amorphous hydrogenated carbon layers containing nickel nanoparticles (Ni‐NPs@a‐C:H) within their structure, which were deposited by Radio Frequency (RF) sputtering and RF‐Plasma Enhanced Chemical Vapor Deposition (RF‐PECVD) methods on glass substrates. Prepared films were then used as research material following their annealing at two different temperatures of 250 °C and 350 °C in an inert argon atmosphere. Series of height samples were taken with the help of atomic force microscopy (AFM) operating in a non‐contact mode and examined in order to determine their fractal characteristics. Raw AFM data were first plane‐fitted to remove the surface bow exhibiting the so‐called residual surface, and then numerically processed to calculate the Areal Autocorrelation Function (AACF), which was later used to compute the Structure Function (SF). The log–log plots of the latter served for calculation of fractal properties of surfaces under investigation, including fractal dimension D, and pseudo‐topothesy K. The analysis of 3‐D surface texture helps to understand their essential characteristics and their implications as well as graphical models and their implementation in computer simulation. Copyright © 2016 John Wiley & Sons, Ltd.     

Error estimates for space–time discontinuous Galerkin formulation based on proper orthogonal decomposition

In this study, proper orthogonal decomposition (POD) method is applied to diffusion–convection–reaction equation, which is discretized using space–time discontinuous Galerkin (dG) method. We provide estimates for POD truncation error in dG-energy norm, dG-elliptic projection, and space–time projection. Using these new estimates, we analyze the error between the dG and the POD solution, and the error between the exact and the POD solution. Numerical results, which are consistent with theoretical convergence rates, are presented.