An Approach to NMR Assignment of Intrinsically Disordered Proteins

An efficient approach to NMR assignments in intrinsically disordered proteins is presented, making use of the good dispersion of cross peaks observed in [¹⁵N,¹³C′]‐ and [¹³C′,¹H^N]‐correlation spectra. The method involves the simultaneous collection of {3D (H)NCO(CAN)H and 3D (HACA)CON(CA)HA} spectra for backbone assignments via sequential H^N and H^α correlations and {3D (H)NCO(CACS)HS and 3D (HS)CS(CA)CO(N)H} spectra for side‐chain ¹H and ¹³C assignments, employing sequential ¹H data acquisitions with direct detection of both the amide and aliphatic protons. The efficacy of the approach for obtaining resonance assignments with complete backbone and side‐chain chemical shifts is demonstrated experimentally for the 61‐residue [¹³C,¹⁵N]‐labelled peptide of a voltage‐gated potassium channel protein of the Kv1.4 channel subunit. The general applicability of the approach for the characterisation of moderately sized globular proteins is also demonstrated.     

Monomer relative affinity in a copolymer

This paper analyzes data from experiments on simple polymer chains. It measures the extent to which a particular monomer prefers to link with another of the same type. To analyze the data, it derives the likelihood function for a two‐state Markov model in which only the number in each state, but not the order, is observed. This technology is applied to a data set on which experimenters mixed lactic‐glycolic monomers with a known proportion of a contaminant consisting of an extra lactic acid. The resulting copolymers were subjected to matrix‐assisted laser desorption ionization mass spectrometry. This records the number of copolymers at each atomic weight, which can be associated with a given length of copolymer and number of contaminant monomers. Analysis of the data shows that the proportion of contaminant monomers exceeded the proportion of experimentally induced contaminant. Maximum likelihood estimates using the data show that lactic‐glycolic monomers show a positive affinity for the contaminant. Copyright © 2015 John Wiley & Sons, Ltd.     

Sequential paired covariance for improved visualization of mass spectrometry imaging datasets

Untargeted analyses in mass spectrometry imaging produce hundreds of ion images representing spatial distributions of biomolecules in biological tissues. Due to the large diversity of ions detected in untargeted analyses, normalization standards are often difficult to implement to account for pixel-to-pixel variability in imaging studies. Many normalization strategies exist to account for this variability, but they largely do not improve image quality. In this study, we present a new approach for improving image quality and visualization of tissue features by application of sequential paired covariance (SPC). This approach was demonstrated using previously published tissue datasets such as rat brain and human prostate with different biomolecules like metabolites and N-linked glycans. Data transformation by SPC improved ion images resulting in increased smoothing of biological features compared with commonly used normalization approaches.     

A Theoretical Perspective to Study the Optical Properties of Tetrafluoroborates

In this study, a series of tetrafluoroborates with non-π-conjugated [BF₄] tetrahedra are investigated systematically by first-principles calculations. Theoretical studies demonstrate that tetrafluoroborates with alkali and/or alkaline-earth metals are more favorable for deep-ultraviolet transmission and are comparable to the classical deep-ultraviolet (deep-UV) material, MgF₂. Furthermore, bandgap decrease with the increasing of ionic radii in alkali and/or alkaline-earth metals. Introducing highly polarizable cations with d₁₀-configuration or cations with lone pair electrons into the structure will decrease the bandgaps. The birefringence and second harmonic generation effects are not large enough in tetrafluoroborates because polarizability anisotropy and hyperpolarizability in non-π-conjugated [BF₄] tetrahedra are much smaller than those in π-conjugated groups. However, the second harmonic generation effect for [BF₄] tetrahedra has a higher contribution in comparison with that due to birefringence. To effectively synthesize the borate fluorides or fluorooxoborates in the deep-UV region, raw materials with B−F bonds are preferred.     

In Silico Analysis of P450s and Their Role in Secondary Metabolism in the Bacterial Class Gammaproteobacteria

The impact of lifestyle on shaping the genome content of an organism is a well-known phenomenon and cytochrome P450 enzymes (CYPs/P450s), heme-thiolate proteins that are ubiquitously present in organisms, are no exception. Recent studies focusing on a few bacterial species such as Streptomyces, Mycobacterium, Cyanobacteria and Firmicutes revealed that the impact of lifestyle affected the P450 repertoire in these species. However, this phenomenon needs to be understood in other bacterial species. We therefore performed genome data mining, annotation, phylogenetic analysis of P450s and their role in secondary metabolism in the bacterial class Gammaproteobacteria. Genome-wide data mining for P450s in 1261 Gammaproteobacterial species belonging to 161 genera revealed that only 169 species belonging to 41 genera have P450s. A total of 277 P450s found in 169 species grouped into 84 P450 families and 105 P450 subfamilies, where 38 new P450 families were found. Only 18% of P450s were found to be involved in secondary metabolism in Gammaproteobacterial species, as observed in Firmicutes as well. The pathogenic or commensal lifestyle of Gammaproteobacterial species influences them to such an extent that they have the lowest number of P450s compared to other bacterial species, indicating the impact of lifestyle on shaping the P450 repertoire. This study is the first report on comprehensive analysis of P450s in Gammaproteobacteria.     

山西典型高铝煤灰熔融及黏温特性改性实验研究

以山西典型高铝煤为研究对象,研究了工业助熔剂石灰石、黏土以及两者的复合助熔剂对其灰熔融特性及黏温特性的影响。结果表明,随着助熔剂含量的增加,煤灰熔融流动温度下降;石灰石的助熔效果优于黏土,复合助熔剂效果优于单一助熔剂。添加石灰石使灰渣临界黏度温度tcv显著降低,添加黏土使其渣型向玻璃渣转变,复合助熔剂较单一助熔剂存在显著协同作用,即能同时实现tcv的降低和渣型的有利转变。对山西典型高铝煤两渡煤,在复合助熔剂添加量为4%(2%石灰石+2%黏土)时,不仅其渣型向玻璃渣转变,且tcv较单独添加石灰石(2%)降低133℃,较单独添加黏土(6%)降低222℃。矿物质分析结果证实了助熔剂的助熔原理。添加复合助熔剂改性的山西高铝煤可达到工业气流床气化对煤种的要求。     

脂质组学及其分析方法

脂质组学的研究属于生命科学的范畴,与人类的健康密切相关。目前,脂质组学已成为代谢组学最重要的分支之一,且是一个非常活跃的研究领域,尤其在研究疾病方面的重要性已经引起了科学界的广泛关注。该文简要介绍了脂质组学的研究内容,重点评述了脂质组学分析方法,包括样品处理、轮廓分析、目标分析、成像分析以及数据处理。最后提出了脂质组学分析技术和方法的展望。     

Uniqueness in potential scattering with reduced data

We consider inverse potential scattering problems where the source of the incident waves is located on a smooth closed surface outside of the inhomogeneity of the media. The scattered waves are measured on the same surface at a fixed value of the energy. We show that these data determine the bounded potential uniquely.     

基于DEA-ANP的快递企业绩效评价研究

在建立快递企业绩效评价模型时,提出了利用DEA和ANP相结合对快递企业绩效进行评价的方法.不同于之前研究,文中提出的方法使用ANP替换AHP,充分考虑了物流行业的"效益背反"现象.其解决了AHP确定权重时,无法体现元素之间关联性的问题,单独使用DEA评价时,无法考虑决策者偏好的弊端.首先,方法基于.ANP方法,求出每个指标的权重,再分别对每个因素使用DEA方法求出各系统的相对效率值;然后,将各指标权重和相对效率值结合,求出各快递企业中营业部的整体效率值并进行排序;最后通过实例分析,验证了此方法的实用性、可操作性及优越性.     

基于网络媒体信息的传染病传播模型及其仿真研究

当一种突发传染病开始流行时,政府、媒体会以各种形式告知民众,有防范意识的民众将采取一定的防范措施来降低感染率.考虑面对一种突发传染病,将易感群体划分为具有防范意识和不具有防范意识两种群体,利用生命周期理论,分析网络媒体信息报道对传染病传播的影响,以此为依据建立一种改进的传染病传播模型(MSI).利用网络大数据得到对传染病有防范意识群体的观测值信息,利用神经网络技术对模型MSI的参数进行反演.然后对模型MSI数值仿真得到传染病传播过程,提出了相应的控制措施.