Using support vector machine to predict beta- and gamma-turns in proteins

By using the composite vector with increment of diversity, position conservation scoring function, and predictive secondary structures to express the information of sequence, a support vector machine (SVM) algorithm for predicting beta- and gamma-turns in the proteins is proposed. The 426 and 320 nonhomologous protein chains described by Guruprasad and Rajkumar (Guruprasad and Rajkumar J. Biosci 2000, 25,143) are used for training and testing the predictive model of the beta- and gamma-turns, respectively. The overall prediction accuracy and the Matthews correlation coefficient in 7-fold cross-validation are 79.8% and 0.47, respectively, for the beta-turns. The overall prediction accuracy in 5-fold cross-validation is 61.0% for the gamma-turns. These results are significantly higher than the other algorithms in the prediction of beta- and gamma-turns using the same datasets. In addition, the 547 and 823 nonhomologous protein chains described by Fuchs and Alix (Fuchs and Alix Proteins: Struct Funct Bioinform 2005, 59, 828) are used for training and testing the predictive model of the beta- and gamma-turns, and better results are obtained. This algorithm may be helpful to improve the performance of protein turns' prediction. To ensure the ability of the SVM method to correctly classify beta-turn and non-beta-turn (gamma-turn and non-gamma-turn), the receiver operating characteristic threshold independent measure curves are provided.     

The Inequality Between Two Distributions: Applications to the Analysis of Diversity Data

A new measure called diversity difference is proposed for the inequality of a pair of distributions. The diversity difference measure satisfies eight properties of a measure of inequality. This measure is simple to calculate and provides easily interpreted results.Existing inequality measures examine the distribution of a single variable whose data are arranged in a monotonic order. The new measure can employ multiple variables and does not require each to be monotonic but can be used if the data happen to be monotonic. The pair of distributions is useful for organizational diversity data because one of the distributions represents the actual proportions of employees in any class or set of classes and the other distribution is the benchmark or anchoring distribution. Data from the measure can be displayed in diversity difference trees for quick interpretation.The diversity difference measure can be arranged to define a Lorenz curve. An example with three classes (gender, race, and age) is employed to provide examples of the measure, the resulting Lorenz curve, and the disparity ratio.     

Statistical Investigation into the Structural Complementarity of Natural Products and Synthetic Compounds

The potential of new natural products as an important source for the exploration and development of new drugs and crop protection products is a long way from being exhausted. The statistical analysis of the structures of the natural and synthetically derived compounds has shown conspicuous variations in structural types in the natural products derived from different natural sources, which can be utilized in the search for individual active substances. The occasionally voiced prepossession that natural products have already been sufficiently examined and therefore no more innovations are to be expected can definitely be rejected.     

大花无柱兰遗传多样性的SRAP标记分析

大花无柱兰是一种珍稀兰科植物,具有一定的观赏和药用价值,但数量十分稀少,该物种亟待保护。本研究采用SRAP分子标记技术,对10个居群的115份DNA样品进行PCR扩增,并开展遗传多样性分析。从81对引物中筛选出9个条带清晰、多态性好、重复性高的引物组合,共扩增得到305条谱带。在物种水平上,多态性比率（PPB）为100%,Nei’s基因多样性指数（H）为0.209 8,Shannon’s指数（I）为0.340 2;在居群水平上,PPB为24.59%～52.13%,H为0.079 6～0.165 5,I为0.120 9～0.252 3。居群水平上,基因分化度（Gst）为0.520 9,基因流（Nm）为0.459 9,遗传距离为0.091 9～0.198 4。UPGMA聚类结果表明,10个居群可分为3大类,地理距离相近的居群优先聚集。大花无柱兰的遗传多样性较为丰富,居群间存在一定的遗传分化和基因交流,可采用就地保护和人工栽培等方式加以保护。     

杂环烯酮缩胺:构筑分子多样性稠杂环化合物的合成先导分子

杂环烯酮缩胺（HKAs）是一类构建分子多样性稠杂环化合物的多功能合成砌块,已被广泛应用于构筑多种多样的类天然杂环化合物和合成药物中。随着杂环烯酮缩胺研究的深入开展,其作为双亲核试剂与多种亲电底物反应取得了较大的进展。本文将基于HKAs的结构特征、反应性能,对以HKAs及1,1-烯二胺为合成子构建各种类型具有潜在生物活性的类天然多环稠杂环化合物进行综述。     

Application of spectroscopic techniques for monitoring microbial diversity and bioremediation

Microbes are the most fascinating group, with huge diversity devising myriad functional applications in the field of medicine, pharmaceuticals, environmental remediation, and industries. Quantitative and qualitative determination of biomolecules and microbial assisted phenomena by spectroscopy is a pioneer approach. It facilitates the study of atomic and molecular geometries, energy levels, chemical bonds, and interactions between molecules and microbes. It produces fingerprints of the microbial species serving to characterize, differentiate, and identify microorganisms, in both the environment and at single-cell level. Spectroscopy-based bioremediation techniques like Fourier transform infrared spectroscopy, mass spectroscopy, force spectroscopy, Raman spectroscopy, photoemission spectroscopy, and laser-induced breakdown spectroscopy have been very well represented and linked with the microbial applications. This review summarizes the traditional spectroscopic techniques used for the study of microbes and microbial-assisted products as well as illustrates its application in the field of microbial diversity and remediation. This will provide an outlook for the intricate characterization and dimension of microbes to be used for effective application in bioremediation.     

Combinatorial chemistry: oh what a decade or two can do

This short commentary takes a stroll through the early days of the field of combinatorial chemistry and molecular diversity. It offers a high-level perspective on the field’s beginnings—and its future—as it relates to journals, books, pioneers, and advances.     

基于白光LED照明光源的室内VLC系统

LED照明与可见光通信技术相结合,构建出基于LED可见光无线通信系统。对室内VLC(Visible Light Communication)系统的白光LED光源特性和系统信道模型分析,提出照明光源布局设计与接收光功率分布的关系;对强度调制直接检测方式的室内VLC系统中信噪比和多径效应引起的码间串扰分析,提出采用光分集接收技术克服码间串扰和提高信噪比,并给出光检测器阵列布局的模型。建立VLC系统仿真模型,给出OOK-NRZ (On-Off Keying & Non-Return Zero)和OOK-RZ(On-Off Keying & Return Zero)调制方式的误码率和均方根时延扩展之间的关系曲线。仿真结果表明,接收光功率相同时,均方根时延扩展时间大于1.0 ns时,OOK-RZ特性优于OOK-NRZ。     

组织性别构成多样性对员工组织承诺影响的实证分析

本文采用组织承诺的三维度概念模型探讨组织性别多样性对组织承诺的影响,研究认为员工工作级别中的性别多样性对其组织承诺(情感承诺、连续承诺)有显著的负影响,而上一级性别多样性只对其情感承诺有显著的正影响,并对此结果进行了深入讨论。     

A construction of fully diverse unitary space-time codes

Fully diverse unitary space-time codes are useful in multiantenna communications, especially in multiantenna differential modulation. Recently, two constructions of parametric fully diverse unitary space-time codes for three antennas system have been introduced. We propose a new construction method based on the constructions. In the present paper, fully diverse codes for systems of odd prime number antennas are obtained from this construction. Space-time codes from present construction are found to have bet...