CAMWI: Detecting protein complexes using weighted clustering coefficient and weighted density

Detection of protein complexes is very important to understand the principles of cellular organization and function. Recently, large protein–protein interactions (PPIs) networks have become available using high-throughput experimental techniques. These networks make it possible to develop computational methods for protein complex detection. Most of the current methods rely on the assumption that protein complex as a module has dense structure. However complexes have core-attachment structure and proteins in a complex core share a high degree of functional similarity, so it expects that a core has high weighted density. In this paper we present a Core-Attachment based method for protein complex detection from Weighted PPI Interactions using clustering coefficient and weighted density. Experimental results show that the proposed method, CAMWI improves the accuracy of protein complex detection.     

分析化学教材中关于离子活度系数计算公式的讨论

在处理电解质溶液的化学平衡理论中,有关离子的活度和活度系数的计算或估算都有比较严谨的理论公式或经验公式,而国内分析化学教材中关于经验公式的表述略显随意。以0.050 mol·L^-1AlCl₃水溶液中Cl^-和Al³⁺的活度计算为例,结合国内外分析化学教材中关于活度系数计算的经验公式进行讨论。由计算结果可知,关于活度系数计算的经验公式需给出明确的使用条件。     

Beyond green with synthetic chlorophylls – Connecting structural features with spectral properties

The distinct features of chlorophylls in photosynthesis have led to the formation of numerous derivatives for applications encompassing solar energy conversion, molecular photonics, photodynamic therapy, and molecular imaging. Synthetic chlorins created de novo and bearing a geminal dimethyl group in the reduced ring have proved invaluable for fundamental studies. Four decades of research have led to accumulation of tabulated spectra for > 400 such synthetic chlorins with distinct structural frameworks (17-oxochlorins, 13¹-oxophorbines, chlorinimides) and substituents (alkyl, aryl, ethynyl, phenylethynyl, acetyl, formyl) located at specific (meso, β) positions. In this review, spectral traces (324 absorption, 247 fluorescence) are assembled along with photophysical data including the molar absorption coefficient (ε), fluorescence quantum yield (Φ_f) and singlet excited-state lifetime (τ_s). The review uses the accumulated spectral data derived from chlorins all containing a uniform molecular scaffold to (1) highlight the effects of molecular structure on spectral features, and (2) identify trends including how ε, Φ_f and τ_s vary with wavelength and other features. Use of a common geminal-dimethyl-substituted chlorin scaffold – beginning with no substituents, to one substituent at designated sites, and to 2 or more substituents – provides a systematic Aufbau approach for understanding the absorption spectra of chlorins on a path to and beyond the native chlorophylls. The review provides insights concerning the rational design of potent analogues of Nature’s preeminent red-region absorbers for potential utilization in diverse applications and is aimed at multiple audiences: those interested in spectral properties, tetrapyrrole photophysics, and the molecular design of new chromophores.     

Effects of Polydispersity on the Phase Behavior of Additive Hard Spheres in Solution

The ability to separate enzymes, nucleic acids, cells, and viruses is an important asset in life sciences. This can be realised by using their spontaneous asymmetric partitioning over two macromolecular aqueous phases in equilibrium with one another. Such phases can already form while mixing two different types of macromolecules in water. We investigate the effect of polydispersity of the macromolecules on the two-phase formation. We study theoretically the phase behavior of a model polydisperse system: an asymmetric binary mixture of hard spheres, of which the smaller component is monodisperse and the larger component is polydisperse. The interactions are modelled in terms of the second virial coefficient and are assumed to be additive hard sphere interactions. The polydisperse component is subdivided into sub-components and has an average size ten times the size of the monodisperse component. We calculate the theoretical liquid–liquid phase separation boundary (the binodal), the critical point, and the spinodal. We vary the distribution of the polydisperse component in terms of skewness, modality, polydispersity, and number of sub-components. We compare the phase behavior of the polydisperse mixtures with their concomittant monodisperse mixtures. We find that the largest species in the larger (polydisperse) component causes the largest shift in the position of the phase boundary, critical point, and spinodal compared to the binary monodisperse binary mixtures. The polydisperse component also shows fractionation. The smaller species of the polydisperse component favor the phase enriched in the smaller component. This phase also has a higher-volume fraction compared to the monodisperse mixture.     

Solvent effect in polymer analysis by MALDI-TOF mass spectrometry

Solvent effect is one of the important factors in sample preparation which may affect matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF) mass spectra of synthetic polymers. MALDI imaging, a useful imaging tool for discovering biomarkers in tissues, is applied here for better comprehension of solvent effect in polymer analysis by MALDI-TOF mass spectrometry. Nylon-6 was chosen as a model polymer for the study of solvent effect. Its MALDI mass spectra in different solvents were performed. MALDI imaging analysis was performed for studying the incorporation of analytes into matrix crystals in different solvent combinations. Specifically, the colocalization of matrix and analyte was obtained through Pearson’s correlation (PC) coefficient analysis of their MALDI images. The results demonstrated that satisfactory spectra were obtained in higher PC value conditions. PC decreased along with an increase in the ratio of poor solvent, which suggested that we should minimize the poor solvent ratio to obtain better MALDI spectra.     

A parametric investigation of the friction performance of PC‐ABS parts processed by FDM additive manufacturing process

The friction performance is an important factor of parts processed by fused deposition modeling (FDM) for various engineering applications. It is one type of failure made of surface contact. The proper use of FDM process parameters can bring a significant reduction in friction and the amount of wear, thereby leading to a reduction in the material waste. To date, very little studies have been performed in this area. This paper investigates the effect of FDM manufacturing parameters on the friction performance of polycarbonate‐acrylonitrile butadiene styrene prototypes processed by FDM using definitive screening design and partial least squares method. The observation of surface morphology was obtained by the scanning electron microscopy to examine the effect of process parameters on the microstructure. The experimental results have shown that layer thickness, air gap, raster angle, and build orientation are the most influential factors affecting the friction performance of FDM manufactured parts. The proposed approach presented in this study provides an impetus to develop analytical modeling and functional relationships between FDM manufacturing parameters and friction performance. Copyright © 2017 John Wiley & Sons, Ltd.     

具有高灵敏性且稳定可重复的正温度系数效应的PVDF/CF导电复合材料

以碳纤维(CF)为填料,聚偏氟乙烯(PVDF)为基体,通过熔融共混法制备PVDF/CF导电复合材料.所得复合材料具有显著的正温度系数(PTC)效应,温度上升到聚合物熔点附近时,电阻率对温度变化敏感.在转折温度区间(155.5~171.0oC,(35)(28)15.5oC)内,其体积电阻率的增加速率约为1.3×105?cm K-1.在不同CF含量下,复合材料表现出不同的PTC行为.随着CF含量的增加,其峰值电阻略有下降.高导电粒子含量下,无负温度系数(NTC)效应.在冷却循环过程,导电网络的重构性良好.复合材料即使经过多次热循环,依然表现出良好的PTC特性重现性.     

基于改进的PSO-SVM的音频信号特征识别和分类

针对音频信号准确性分类的问题,提出一种基于改进的的粒子群优化算法(PSO)的支持向量机(SVM)音频信号分类的方法,简称IPSO-SVM.首先用Mel倒谱系数法对4种音频信号进行特征提取.其次在PSO中引入自适应变异因子,能够成功地跳出局部极小值点;然后对PSO中的惯性权重进行了改进,将惯性权重由常数变为指数型递减函数.随着迭代的进行,使权重逐渐减小,这样做有利于粒子进行局部寻优.最后用改进的PSO不断优化SVM中的惩罚因子c和核函数参数g来提高预测精度.实验结果表明,与传统的SVM、PSO-SVM、GA-SVM相比,我们提出的IPSO-SVM算法分类结果更精确.     

面向信息化战争的广义兰切斯特战争模型

21世纪是一个信息化时代,为了更好的面向信息化战争.通过对传统的兰切斯特微分方程进行改进,考虑了信息化的诸多因素,引入了战场情报感知系数和信息优势系数.构建了数学模型,并对其进行差分处理求解,比较分析了交战双方对战场感知系数变化和信息优势系数变化情况下,对战争的影响.以海湾战争为例,检验了模型的可行性.     

基于函数系数自回归模型的风速时间序列预测

准确预测风电场风速是解决风能对电力系统所造成的安全、稳定运行和电能质量等问题的有效途径之一.风速的难以预测是由于它的高度随机和非线性.基于一种非参数的非线性自回归随机模型来预测风速,模型的自回归系数随模型依赖变量的变化而变化,因而它有灵活的非线性结构.数值实验和比较结果表明了这种函数系数自回归模型在风电场风速预测中的有效性.