Evaluation of separation quality in two-dimensional hyphenated chromatography

In this paper, a novel criterion named the overlap index (OVI) has been proposed to evaluate the separation quality in two-dimensional hyphenated chromatography. This criterion, which is obtained from the maximum value of the Gram determinant constructed by the key spectra, can reveal the degree of two-dimensional hyphenated chromatographic separation. The key spectra are selected based on the so-called D-optimal criterion. According to its geometrical sense meaning the volume spanned by the constructed vectors, OVI criterion can practically reflect the overlap degree of chromatographic peaks. The OVI criterion is further interpreted by comparing the resolution of two-dimensional data into pure chromatograms and spectra. The successful application of this OVI criterion to both of simulated two-dimensional hyphenated data and the real case in analyzing the six reference phenolic compounds from Ginkgo biloba L-leaves shows its reliability and practicality.     

高能反应机制与自旋效应

高能强子一强子反应实验中发现一系列引人注目的自旋效应,这些效应出现的机理一直是人们关注的热门课题之一.近几年,在实验及理论家共同的努力下,虽仍有许多不清楚的问题,但已取得一些突破.结果表明,不仅对这些现象产生机理研究能为强子结构及强子反应机制提供信息,而且这些现象本身也用作探索强子反应机制的工具.例如用它们来研究小x_B光子与强子反应的性质.本报告将首先简单总结这些现象及其产生机理研究的结论,然后介绍该例的主要思想及结果.     

Random frog: An efficient reversible jump Markov Chain Monte Carlo-like approach for variable selection with applications to gene selection and disease classification

The identification of disease-relevant genes represents a challenge in microarray-based disease diagnosis where the sample size is often limited. Among established methods, reversible jump Markov Chain Monte Carlo (RJMCMC) methods have proven to be quite promising for variable selection. However, the design and application of an RJMCMC algorithm requires, for example, special criteria for prior distributions. Also, the simulation from joint posterior distributions of models is computationally extensive, and may even be mathematically intractable. These disadvantages may limit the applications of RJMCMC algorithms. Therefore, the development of algorithms that possess the advantages of RJMCMC methods and are also efficient and easy to follow for selecting disease-associated genes is required. Here we report a RJMCMC-like method, called random frog that possesses the advantages of RJMCMC methods and is much easier to implement. Using the colon and the estrogen gene expression datasets, we show that random frog is effective in identifying discriminating genes. The top 2 ranked genes for colon and estrogen are Z50753, U00968, and Y10871_at, Z22536_at, respectively. (The source codes with GNU General Public License Version 2.0 are freely available to non-commercial users at: http://code.google.com/p/randomfrog/.)     

Application of terahertz spectroscopy and molecular modeling in isomers investigation: Glucose and fructose

Terahertz spectra of glucose and fructose have been measured by terahertz time-domain spectroscopy (THz-TDS) at room temperature. Because they have the same molecular formula, the differences of the THz spectra can be attributed to their molecular structures and the arrangement of molecules in unit cell. In this paper, gaseous-state theory has been employed to simulate the isolated molecule of these two isomers. The results indicate that experimental THz spectral features (0.5 – 4.0 THz) of glucose and fructose arise from the mixture of intramolecular and intermolecular modes, involving hydrogen bonds and covalent bonds, and with the intermolecular modes dominating.     

同轴电喷法制备PCL-蛋清体系复合微胶囊

以鸡蛋的卵清蛋白作为蛋白质药物模板、生物可降解材料聚己内酯(PCL)为药物载体模板,采用同轴电喷法制备PCL-蛋清体系的复合微球.研究了电导率、黏度对于电喷微球成型的影响.核壳溶液推进速率比、电压、溶液质量分数和接收距离等对于所得微球表面形态和结构的影响.利用扫描电子显微镜(SEM)研究了微球的表面形态,用荧光显微镜表征了微球的包覆模式.结果表明:同轴电喷法可以制备PCL-蛋清体系的复合结构微胶囊,其中推进速率比对微球形貌、粒径及其分布的影响比较明显,当PCL与蛋清溶液推进速率比大于10时,将出现具有包覆结构的微球.     

Accuracies and conservation errors of various ghost fluid methods for multi-medium Riemann problem

Since the (original) ghost fluid method (OGFM) was proposed by Fedkiw et al. in 1999 [5], a series of other GFM-based methods such as the gas–water version GFM (GWGFM), the modified GFM (MGFM) and the real GFM (RGFM) have been developed subsequently. Systematic analysis, however, has yet to be carried out for the various GFMs on their accuracies and conservation errors. In this paper, we develop a technique to rigorously analyze the accuracies and conservation errors of these different GFMs when applied to the multi-medium Riemann problem with a general equation of state (EOS). By analyzing and comparing the interfacial state provided by each GFM to the exact one of the original multi-medium Riemann problem, we show that the accuracy of interfacial treatment can achieve “third-order accuracy” in the sense of comparing to the exact solution of the original mutli-medium Riemann problem for the MGFM and the RGFM, while it is of at most “first-order accuracy” for the OGFM and the GWGFM when the interface approach is actually near in balance. Similar conclusions are also obtained in association with the local conservation errors. A special test method is exploited to validate these theoretical conclusions from the numerical viewpoint.     

LO-phonon effect on the exciton binding energy in polar rectangular quantum wires

Longitudinal optical phonon effect on Wannier excitons in polar rectangular quantum wires is studied by a variational approach. The binding energy is calculated and the numerical results for several II-VI and III-V compound semiconductor rectangular quantum wires are given. The results show that the phonon effect reduces the binding energy and cannot be neglected. The phonon contribution to the binding energy is sensitive to the size of the rectangular quantum wire section, and increases with decreasing section area. The results for the GaAs rectangular quantum wires coincide with the experimental results. The calculated binding energy and the phonon effect in II-VI QWWs are both stronger than those in III-V compound systems, and the results for ZnSe QWW are qualitatively in agreement with the experiments.     

Effect of the luminol signal enhancer on the chemiluminescence intensity and kinetics

The novel p-phenol derivatives, 4-(1-imidazolyl)-phenol, 4-hydroxybiphenyl, 4-hydroxy-4′-iodobiphenyl were employed as highly potent signal enhancers of luminol-hydrogen peroxide (H₂O₂)-horseradish peroxidase (HRP) chemiluminescence (CL) system. The CL reaction conditions were optimized, and the enhancement characteristics of these enhancers were compared with each other. The employment of these molecules greatly affected important assay parameters. Practically, the use of a novel enhancer, even a slightly change of the structure (or concentration) of 4-substituted phenol derivative, could affect assay properties quite dramatically. Furthermore, the use of different enhancers in the luminol–H₂O₂–HRP system can affect not only the intensity of the CL signal, which is well known, but also its kinetics. The experiment data indicated that the stronger intensity was combined with a more rapid decrease of the CL signal.     

Rapid matching algorithm for hyperspectral image based on norm sifting

We propose a rapid spectral matching method by lowering number of comparisons, processing time can be saved. Firstly, 1-norm is chosen as length measure of spectrum, and with this criterion, a 1-norm database is built. Secondly, a subspace is constructed from the whole reference library by retaining the references with the most similar 1-norm values. Finally, matching operations are performed in the subspace to obtain the match result. Simulations of geological mapping with ASTER spectral library show that the proposed method can significantly reduce processing time and enhance accuracy compared with traditional and dimension reduction methods.