A simple optimization strategy based on Rs-minimum and information theory of chromatography

Summary A simple optimization method based on the well-known Rs-minimum method and on the information theory of FUMI Φ is proposed. Resolution (Rs), peak area and height (or width) are the only parameters necessary for the calculation of the information Φ and information flow ϑ. The most precise analysis can be selected as the chromatogram having maximal ϑ. Mobile phase composition, column length, flow rate, detection wavelength, amount of internal standard, etc. can be optimized by this method.     

Influence of Light Scattering by Residual Alumina Nanoparticles on the Analysis of Surfactants Adsorption Using Spectroscopy

The adsorption of a surfactant mixture, based on an anionic surfactant, sodium dodecyl benzenesulfonate (SDBS) and a nonionic surfactant (Triton X-100, or TX100), on alumina nanoparticles was determined by solution depletion method combined with spectrometric measurement. It is shown that the light scattering, originated from the residual adsorbent alumina particles in the supernatant after centrifugation separation, interferes with the measurements of absorbance of the surfactant molecules, and therefore constitutes an error source for determination of the surfactant concentration in the supernatant by spectrometric means. The intensity of this light scattering, namely the influence of the residual alumina nanoparticles upon the surfactant adsorption, was related to the surfactant adsorption and its equilibrium concentration and varied among a batch. In this paper we report a Kalman filter method in order to eliminate the variational scattering background caused by non-separated residual alumina nanoparticles in each supernatant. This method is of interest as it is simple, easy to carry out and of high precision.     

Fast-cycle trace analysis of dioxin in flue gas. Monitoring of the incineration of dioxin-containing waste from seveso

The fast trace analysis method used to monitor 2,3,7,8-TCDD in stack gas during the incineration of the waste from Seveso is described. The sampling of volatile organic compounds from flue gases, distributed between all three aggregation states, is based on a micromethod developed for the trace analysis of water using a specially dimensioned adsorptive charcoal filter (1.5 mg charcoal). In conjunction with subsequent GC/MS measurements the rapid “fast cycle trace analysis” ensured specific 2,3,7,8-TCDD detection down to 100 pg per m³ flue gas in cycle times of about 1–2 hours.     

炉前煤低温干馏工艺中的挥发分除尘

为了寻求优化的炉前煤低温干馏工艺中的挥发分除尘方案，在使用400目金属滤网对间歇式粉煤固体热载体热解装置挥发分除尘研究的基础上，将颗粒床过滤器用于该过程的除尘研究。热态除尘实验表明，颗粒床的使用有效地降低了滤网的过滤负荷。选用2mm石英砂和φ5mm×2mm瓷环作为滤料，通过对比实验发现，两种滤料除尘效率均在90％以上；随着过滤操作的进行，由于颗粒床内粉尘的沉积使其过滤效率有所提高，而对气、液收率的影响很小。结果表明，颗粒床与滤网结合可作为粉煤炉前低温干馏工艺中可供选择的挥发分除尘方案。     

In vitro metabolism study of Strychnos alkaloids using high‐performance liquid chromatography combined with hybrid ion trap/time‐of‐flight mass spectrometry

In this report, the in vitro metabolism of Strychnos alkaloids was investigated using liquid chromatography/high‐resolution mass spectrometry for the first time. Strychnine and brucine were selected as model compounds to determine the universal biotransformations of the Strychnos alkaloids in rat liver microsomes. The incubation mixtures were separated by a bidentate‐C₁₈ column, and then analyzed by on‐line ion trap/time‐of‐flight mass spectrometry. With the assistance of mass defect filtering technique, full‐scan accurate mass datasets were processed for the discovery of the related metabolites. The structural elucidations of these metabolites were achieved by comparing the changes in accurate molecular masses, calculating chemical component using Formula Predictor software and defining sites of biotransformation based upon accurate MSⁿ spectral information. As a result, 31 metabolites were identified, of which 26 metabolites were reported for the first time. These biotransformations included hydroxylation, N‐oxidation, epoxidation, methylation, dehydrogenation, de‐methoxylation, O‐demethylation, as well as hydrolysis reactions. Copyright © 2013 John Wiley & Sons, Ltd.     

A central limit theorem in nonlinear filtering

It is shown that the probability law of a diffusion process conditioned on weakly corrupted observations is asymptotically Gaussian when properly scaled. The method of proof involves Fisher information matrices and a Cramér-Rao inequality.     

Some Aspects of Magnetic Filtration Theory for Removal of Fine Particles from Aqueous Suspensions

The magnetic filtration theory was evaluated to intensify the filtration of industrial fluids by magnetic filters. Effects of filtration velocity and external magnetic field intensity on filter performance were investigated and the dependence of the logarithmic efficiency coefficient on filtration velocity was questioned. It was concluded that change in the magnetic susceptibility of the dispersion particles, caused by external magnetic field, and change in the flow rate properties of the liquid alongside the filter pores are the most essential factors to be considered in the design, development, and modeling of magnetic filtration systems in various industrial areas.     

环路跟踪卡尔曼滤波算法的性能分析

基于卡尔曼滤波的环路跟踪算法多是通过一定仿真证明算法性能,没有系统性性能评估,难以较好指导工程应用。在原有算法基础上进行了优化,并系统性地对比分析、评估了基于卡尔曼环路滤波算法性能,以期为算法工程化提供指导。首先提出对跟踪环路反馈调整量进行预测,使之更符合系统实际,减小环路跟踪误差。而后基于卫星信号模拟器输出信号和自生产信号源,充分评估基于卡尔曼滤波环路跟踪算法的收敛时间和灵敏度。仿真结果表明,相比目前工程常用的二阶FFL辅助三阶PLL算法,基于卡尔曼滤波环路跟踪算法能够缩短环路所需稳定时间约90%,并能提升跟踪灵敏度约5 d B,有效改善弱信号场景中接收机输出信息的完好性和连续性。     

Design and characterization of guided mode resonance filters with the improved structure for facile fabrication

In this study, a guided mode resonance filter with the improved structure for facile fabrication is designed; the properties of the designed filters are simulated by rigorous coupled wave analysis. It is found that the resonance wavelength and spectral linewidth are slightly increased with the increasing of the grating thickness, and seldom changed with the thickness of the grating filling factor, as the parameter error of the grating thickness and the grating filling factor are deviated from the designed value by ±10%, respectively, which are very favorable for simplifying preparation process of the GMR filter.     

Metabolite identification of the antimalarial piperaquine in vivo using liquid chromatography–high‐resolution mass spectrometry in combination with multiple data‐mining tools in tandem

Artemisinin‐based combination therapy is widely used for the treatment of uncomplicated Plasmodium falciparum malaria, and piperaquine (PQ) is one of important partner drugs. The pharmacokinetics of PQ is characterized by a low clearance and a large volume of distribution; however, metabolism of PQ has not been thoroughly investigated. In this work, the metabolite profiling of PQ in human and rat was studied using liquid chromatography tandem high‐resolution LTQ‐Orbitrap mass spectrometry (HRMS). The biological samples were pretreated by solid‐phase extraction. Data processes were carried out using multiple data‐mining techniques in tandem, i.e., isotope pattern filter followed by mass defect filter. A total of six metabolites (M1–M6) were identified for PQ in human (plasma and urine) and rat (plasma, urine and bile). Three reported metabolites were also found in this study, which included N‐oxidation (M1, M2) and carboxylic products (M3). The subsequent N‐oxidation of M3 resulted in a new metabolite M4 detected in urine and bile samples. A new metabolic pathway N‐dealkylation was found for PQ in human and rat, leading to two new metabolites (M5 and M6). This study demonstrated that LC‐HRMSⁿ in combination with multiple data‐mining techniques in tandem can be a valuable analytical strategy for rapid metabolite profiling of drugs. Copyright © 2016 John Wiley & Sons, Ltd.