基于搜索平均法的气象观测数据的非线性去噪

介绍了一种新型基于相空间重构和返回图法的非线性降噪方法——搜索平均法，首先将该方法应用于被高斯白噪声所污染的Henon映射时间序列，说明根据降噪理论所编写的计算程序的正确性；然后应用于中国气象局公布全国435站1960—2000年的逐日气温观测时间序列，并利用非线性预报方法衡量降噪的效果，验证了该方法的有效性.     

Wavespeed analysis: Approximating Arrhenius kinetics with step-function kinetics

The accuracy of using step-function approximations to the Arrhenius exponential in computing the wavespeed in combustion wave propagation is investigated. Gaseous and gasless combustion, and first- and second-order reactions are included in the study. The theoretical analysis is based on Melnikov theory from dynamical systems. The error is shown to be small in most instances. The analytical results are supported with numerical simulations.     

Binary concepts and standardization in counter-current separation technology

Counter-current separation (CS) technology is currently faced with the challenge of being fit for the purpose of omics analysis, which involves highly complex samples and digitized research environments. Resembling a network of binary decisions, CS requires standardization of operation parameters in order to be efficient. While recent CS engineering solutions uniformly involve centrifugal force designs to overcome the limitation of the earth's 1 × g force, factors of instrument design, operation, and graphical representation of the outcome are equally important targets for standardization. For example, chromatograms that emphasize the unique K-based nature of CS, such as reciprocal symmetry (ReS) plots, foster the fundamental understanding of CS operation. Because significant differences exist in underlying mechanism (e.g., stationary phase volume), outcome (e.g., construction of chromatograms), and scale (e.g., factors affecting overall method sensitivity) of solid–liquid vs. liquid–liquid chromatography technologies, standardization will enable the systematic exploration of the differential properties of the two LC technologies, and will be key to making CS fit for the digital omics age.     

Identification of a free boundary in Norton–Hoff flows with thermal effects

This work deals with a free boundary identification problem in a steady viscoplastic flow. We provide a novel identification model based on a non-linear optimization. The fluid motion is governed by the incompressible Norton–Hoff model coupled with the heat equation. The viscosity of the fluid is modeled by the non-linear Arrhenius law. Our point of view is to treat the problem as a shape sensitivity of a cost functional formulated on the free boundary and governed by the normal component of the velocity of the flow. We analyze the mathematical statement of the forward problem. The equations related to the free boundary are simplified. Various properties of this optimization are proved. Since the state of Norton–Hoff model is not regular enough we introduce a parameter penalization. The shape gradient of the considered cost functional is given in the strong sense up to the parameter of penalization. We supply the expression of the shape gradient in a weak sense.     

全反射现象折射波瞬时行为的计算机展示

介绍了借助计算机代数系统Ｍａｐｌｅ实现全反射现象折射波瞬时行为动态展示的做法，讨论它的基础物理教学中的作用。     

Temperature Effect on Power for Particle Detachment from Pore Wall Described by an Arrhenius-Type Equation

An Arrhenius-type asymptotic-exponential function is derived to describe the temperature dependence of the power needed for detachment of fine particles from pore walls in porous media.     

Spectroelectrochemical Study of 9‐Substituted Acridines with Potential Antitumor Activity

The electrochemical and spectroelectrochemical behavior of 9‐substituted with ? CN and ? COOH acridine N‐oxides with potential antitumor activity was investigated. In SER spectra of the investigated compounds, the ring stretching vibration at 1568 cm^?1 for 9‐CN‐substituted compound respectively 1639 cm^?1 for 9‐COOH‐substituted compound was analyzed. Cyclic voltammograms indicates that the reduction potential ?0.766 V for ? CN substituted compound increase towards ?0.745 V for ? COOH substituted compound. The proposed theoretical method in the electrochemical impedance spectroscopy uses a reference redox dielectrode and a multielectrode containing the compound. To account for the change of electrochemical impedance we have considered two theoretical quantities: a pseudocapacitance and a pseudo inductance. Two possible arrangements of them: in series, respective in parallel can be used like criteria of drug classification.     

Profiling analysis of volatile compounds from fruits using comprehensive two-dimensional gas chromatography and image processing techniques

An image processing approach originating from the proteomics field has been transferred successfully to the processing of data obtained with comprehensive two-dimensional gas chromatographic separations data. The approach described here has proven to be a useful analytical tool for unbiased pattern comparison or profiling analyses, as demonstrated with the differentiation of volatile patterns (“aroma”) from fruits such as apples, pears, and quince fruit. These volatile patterns were generated by headspace solid phase microextraction coupled to comprehensive two-dimensional gas chromatography (HS-SPME-GC × GC). The data obtained from GC × GC chromatograms were used as contour plots which were then converted to gray-scale images and analyzed utilizing a workflow derived from 2D gel-based proteomics. Run-to-run variations between GC × GC chromatograms, respectively their contour plots, have been compensated by image warping. The GC × GC images were then merged into a fusion image yielding a defined and project-wide spot (peak) consensus pattern. Within detected spot boundaries of this consensus pattern, relative quantities of the volatiles from each GC × GC image have been calculated, resulting in more than 700 gap free volatile profiles over all samples. These profiles have been used for multivariate statistical analysis and allowed clustering of comparable sample origins and prediction of unknown samples. At present state of development, the advantage of using mass spectrometric detection can only be realized by data processing off-line from the identified software packages. However, such information provides a substantial basis for identification of statistically relevant compounds or for a targeted analysis.     

Comparative study of new shell-type,sub-2 μm fully porous and monolith stationary phases,focusing on mass-transfer resistance

Today sub-2 μm packed columns are very popular to conduct fast chromatographic separations. The mass-transfer resistance depends on the particle size but some practical limits exist not to reach the theoretically expected plate height and mass-transfer resistance. Another approach applies particles with shortened diffusion path to enhance the efficiency of separations. In this study a systematical evaluation of the possibilities of the separations obtained with 5 cm long narrow bore columns packed with new 2.6 μm shell particles (1.9 μm nonporous core surrounded by a 0.35 μm porous shell, Kinetex™, Core-Shell), packed with other shell-type particles (Ascentis Express™, Fused-Core), totally porous sub-2 μm particles and a 5 cm long narrow bore monolith column is presented. The different commercially available columns were compared by using van Deemter, Knox and kinetic plots. Theoretical Poppe plots were constructed for each column to compare their kinetic performance. Data are presented on polar neutral real-life analytes. Comparison of a low molecular weight compounds (MW = 270–430) and a high molecular weight one (MW ∼ 900) was conducted. This study proves that the Kinetex column packed with 2.6 μm shell particles is worthy of rivaling to sub-2 μm columns and other commercially available shell-type packings (Ascentis Express or Halo), both for small and large molecule separation. The Kinetex column offers a very flat C term. Utilizing this feature, high flow rates can be applied to accomplish very fast separations without significant loss in efficiency.     

High-efficiency hydrophilic interaction chromatography by coupling 25 cm × 4.6 mm ID × 5 μm silica columns and operation at 80 °C

Recently, hydrophilic interaction chromatography (HILIC) has emerged as a valuable orthogonal tool to reversed-phase liquid chromatography (RP-LC) as it allows for resolution of highly polar ionisable compounds. The relationships between separation efficiency, column length and speed of analysis for 4.6 mm ID × 5 μm silica particle columns in HILIC are demonstrated using kinetic plots. The kinetic plots constructed for conventional pressure systems operating at 350 bar and at 30 °C and 80 °C are confirmed using experimental data for different column lengths. Efficiencies of more than 130,000 theoretical plates could be achieved by connecting up to six columns of 25 cm. As expected, a significant gain in analysis speed without loss of efficiency could be obtained by operating at 80 °C compared to 30 °C. The advantages of using long columns in HILIC in combination with elevated column temperature for the pharmaceutical industry are illustrated using test mixtures comprised of commercially available ionisable compounds (including some containing functional groups with potential genotoxic typical structural alerts) as well as real polar ionisable pharmaceuticals.