In Silico Investigation of Potential Applications of Gamma Carbonic Anhydrases as Catalysts of CO2 Biomineralization Processes: A Visit to the Thermophilic Bacteria Persephonella hydrogeniphila,Persephonella marina,Thermosulfidibacter takaii,and Thermus thermophilus

Carbonic anhydrases (CAs) have been identified as ideal catalysts for CO₂ sequestration. Here, we report the sequence and structural analyses as well as the molecular dynamics (MD) simulations of four γ-CAs from thermophilic bacteria. Three of these, Persephonella marina, Persephonella hydrogeniphila, and Thermosulfidibacter takaii originate from hydrothermal vents and one, Thermus thermophilus HB8, from hot springs. Protein sequences were retrieved and aligned with previously characterized γ-CAs, revealing differences in the catalytic pocket residues. Further analysis of the structures following homology modeling revealed a hydrophobic patch in the catalytic pocket, presumed important for CO₂ binding. Monitoring of proton shuttling residue His69 (P. marina γ-CA numbering) during MD simulations of P. hydrogeniphila and P. marina’s γ-CAs (γ-PhCA and γ-PmCA), showed a different behavior to that observed in the γ-CA of Escherichia coli, which periodically coordinates Zn²⁺. This work also involved the search for hotspot residues that contribute to interface stability. Some of these residues were further identified as key in protein communication via betweenness centrality metric of dynamic residue network analysis. T. takaii’s γ-CA showed marginally lower thermostability compared to the other three γ-CA proteins with an increase in conformations visited at high temperatures being observed. Hydrogen bond analysis revealed important interactions, some unique and others common in all γ-CAs, which contribute to interface formation and thermostability. The seemingly thermostable γ-CA from T. thermophilus strangely showed increased unsynchronized residue motions at 423 K. γ-PhCA and γ-PmCA were, however, preliminarily considered suitable as prospective thermostable CO₂ sequestration agents.     

城市广场空间构成要素浅谈

广场作为一种空间原型,其要素有两个,即舞台和观众席。幕布是周围建筑的立面,说明广场不可过大,这样才有一定的封闭性乃至向心性。掌握了广场空间要素,就可将广场整体作为空间原型,并将其应用到建筑设计中。     

道路交通网络中的关键节点识别方法研究

在现实世界中，大量复杂系统都可以通过抽象的节点和连边构成的网络来加以刻画。作为城市交通系统的重要组成部分，道路交通网络是一个典型的复杂系统，与人们的生活密切相关。道路交通网络中的关键节点识别问题是复杂网络领域研究中的一个经典难题。传统的度中心性算法和PageRank算法在复杂网络的关键节点的识别中具有较好的应用，考虑到道路交通网络中关键节点的特殊性和彼此关联性，在度中心性算法的基础上引入贪心算法的思想，提出了一个基于贪心策略的度中心性关键节点识别方法；同时，在PageRank算法的基础上引入贪心算法的思想，提出了一种基于贪心策略的PageRank关键节点识别方法，从而使道路交通网络中关键节点识别的结果更合理，在交通道路维护保养、规划设计，以及犯罪分子潜逃阻断等领域都有重要的应用价值。通过公开数据集与经典的关键节点识别方法做比较，验证了算法的有效性。     

Adaptive synchronization of fractional‐order complex networks via pinning control

Adaptive synchronization of a class of fractional‐order complex networks is investigated in this paper. On the basis of the fractional‐order system stability theory, adaptive synchronization criteria of fractional‐order complex networks with 0 < q < 1 is achieved. Furthermore, pinning control method is then suggested to control the networks, and adaptive strategy is employed to tune the control gains and coupling strength. Because the nodes with high degree may not be the center of the networks, a new attempt to choose the pinned nodes on the basis of the closeness centrality scheme is proposed. Finally, numerical simulations are given to verify the effectiveness of the proposed approach based on the closeness centrality scheme. Copyright © 2012 John Wiley & Sons, Ltd.     

基于FPGA的稀疏网络关键节点计算的硬件加速方法研究

随着互联网、生物医学及社交网络等复杂网络研究的深入,如何寻找其等效图中关键节点越来越重要。中介中心度作为衡量图中节点重要性的主要指标,其单点的计算复杂度高达O(N3),因而成为关键节点计算问题的难点。该文在对传统的中介中心度快速算法进行分析之后,提出了一种适用于硬件设计的改进算法。同时,基于算法中各点独立、以及相邻计算间无数据依赖的特点,该文利用改进算法实现了一个流水线结构的8计算单元并行计算系统,并在FPGA上完成了硬件系统的设计和验证。通过对比8核CPU软件系统的计算时间,该文的硬件计算系统实现了4.31倍的加速比。     

社会网络结构洞节点度量指标比较与分析

为了分析社会网络中影响结构洞节点测量的因素,首先阐述了现有的7种定量衡量结构洞节点的方法,然后构建了4组12个具有不同结构特征的模拟网络。在模拟网络上对结构洞节点的度量指标进行深入而全面的分析和比较。同时,在人人网社会网络上进行实证分析。实验结果表明,这7种度量指标均难以准确度量结构洞节点,不同指标间存在着一定的相关性。在7种度量指标中,介数中心性能相对取得较好的效果。     

社交网络节点中心性测度

研究节点影响力以及扩大节点影响力的范围在社交网络传播中具有重大意义。为了综合分析节点自身影响力与其潜在影响力,提出了PPI（Personal-Potential Influence,PPI）算法,用介数中心性值,紧密中心性值及k-shell值加权来评估节点自身影响力,再通过节点间的相互影响来评估其潜在影响力。实验结果表明PPI算法在评估节点影响力上有较好的准确性。     

基于主营产品的中国矿业上市公司复杂结构关系研究

通过分析主营产品来研究我国矿业上市公司之间的复杂关系结构。研究以矿业上市公司为节点,把两个上市公司之间的主营产品的有重叠关系定义为两个节点有边,否则没有边,并据此按公司所主营产品的共有性构建公司之间关系的复杂网络模型,利用复杂网络理论及分析方法,通过计算网络中的节点度、网络度分布、聚集系数来分析主营产品关系下的网络结构特征。发现了我国矿业上市公司的整体结构关系特点,各个公司在整个行业中所处的地位及各公司之间的相互关联度,反映出其整体关系的复杂性,也揭示了节点与网络中其他节点之间的关系。研究能够帮助矿业公司做出正确的决策与调整,为上市公司在行业中提高竞争与合作起到推动作用,以利于企业快速、有效地向前发展。     

基于带权语言网络的网页关键词抽取

论述了网页文档带权语言网络的建立过程,给出了结合介数指标与紧密度指标的词语综合中心度度量方法,实验表明采用该方法的关键词抽取结果能够很好地符合网页主题。     

对抗社会网络级联失效的减缓策略研究(英文)

Cascading failures are common phenomena in many of real-world networks,such as power grids,Internet,transportation networks and social networks.It's worth noting that once one or a few users on a social network are unavailable for some reasons,they are more likely to influence a large portion of social network.Therefore,an effective mitigation strategy is very critical for avoiding or reducing the impact of cascading failures.In this paper,we firstly quantify the user loads and construct the processes of cascading dynamics,then elaborate the more reasonable mechanism of sharing the extra user loads with considering the features of social networks,and further propose a novel mitigation strategy on social networks against cascading failures.Based on the realworld social network datasets,we evaluate the effectiveness and efficiency of the novel mitigation strategy.The experimental results show that this mitigation strategy can reduce the impact of cascading failures effectively and maintain the network connectivity better with lower cost.These findings are very useful for rationally advertising and may be helpful for avoiding various disasters of cascading failures on many real-world networks.