Identification of Novel Fragments Binding to the PDZ1-2 Domain of PSD-95

Inhibition of PSD-95 has emerged as a promising strategy for the treatment of ischemic stroke, as shown with peptide-based compounds that target the PDZ domains of PSD-95. In contrast, developing potent and drug-like small molecules against the PSD-95 PDZ domains has so far been unsuccessful. Here, we explore the druggability of the PSD-95 PDZ1-2 domain and use fragment screening to investigate if this protein is prone to binding small molecules. We screened 2500 fragments by fluorescence polarization (FP) and validated the hits by surface plasmon resonance (SPR), including an inhibition counter-test, and found four promising fragments. Three ligand efficient fragments were shown by ¹H,¹⁵N HSQC NMR to bind in the small hydrophobic P⁰ pockets of PDZ1-2, and one of them underwent structure-activity relationship (SAR) studies. Overall, we demonstrate that fragment screening can successfully be applied to PDZ1-2 of PSD-95 and disclose novel fragments that can serve as starting points for optimization towards small-molecule PDZ domain inhibitors.     

Combining molybdenum carbide with ceria overlayers to boost Mo/CeO2 catalyzed ammonia synthesis

The design of an efficient non-noble metal catalyst is of burgeoning interest for ammonia synthesis. Herein, we report a Mo₂C/CeO₂ catalyst that is superior in ammonia synthesis activity. In this catalyst, molybdenum carbide coexisted with the ceria overlayers which is from the ceria support as the strong metal–support interaction. There is a high proportion of low-valent Mo species, as well as high concentration of Ce³⁺ and surface oxygen species. The presence of Mo₂C and CeO₂ overlayers not only leads to enhancement of hydrogen and nitrogen adsorption, but also facilitates the desorption and exchange of adsorbed species with the gaseous reagents. Compared with the Mo/CeO₂ catalyst prepared without carbonization, the Mo₂C/CeO₂ catalyst is more than sevenfold higher in ammonia synthesis rate. This work not only presents an explicit example of designing Mo-based catalyst that is highly efficient for ammonia synthesis by tuning the adsorption and desorption properties of the reactant gases, but opens a perspective for other elements in ammonia synthesis.     

基于联合节点行为策略的WSN覆盖控制算法

针对无线传感器网络在对移动目标节点覆盖过程中出现网络能量快速消耗问题，提出了一种基于联合节点行为策略的覆盖算法。根据网络模型建立传感器节点与目标节点从属关系，确定覆盖关联模型；利用概率理论求解邻居节点冗余覆盖度，确定最少传感器节点数量；给出了邻居节点覆盖期望值的求解方法；仿真实验表明，该算法与其他算法在网络覆盖率和网络生存周期两个性能指标上均提升了12.39%和15.01%，从而验证了算法的有效性。     

Effects of Different Short-Term UV-B Radiation Intensities on Metabolic Characteristics of Porphyra haitanensis

The effects of ultraviolet (UV) radiation, particularly UV-B on algae, have become an important issue as human-caused depletion of the protecting ozone layer has been reported. In this study, the effects of different short-term UV-B radiation on the growth, physiology, and metabolism of Porphyra haitanensis were examined. The growth of P. haitanensis decreased, and the bleaching phenomenon occurred in the thalli. The contents of total amino acids, soluble sugar, total protein, and mycosporine-like amino acids (MAAs) increased under different UV-B radiation intensities. The metabolic profiles of P. haitanensis differed between the control and UV-B radiation-treated groups. Most of the differential metabolites in P. haitanensis were significantly upregulated under UV-B exposure. Short-term enhanced UV-B irradiation significantly affected amino acid metabolism, carbohydrate metabolism, glutathione metabolism, and phenylpropane biosynthesis. The contents of phenylalanine, tyrosine, threonine, and serine were increased, suggesting that amino acid metabolism can promote the synthesis of UV-absorbing substances (such as phenols and MAAs) by providing precursor substances. The contents of sucrose, D-glucose-6-phosphate, and beta-D-fructose-6-phosphate were increased, suggesting that carbohydrate metabolism contributes to maintain energy supply for metabolic activity in response to UV-B exposure. Meanwhile, dehydroascorbic acid (DHA) was also significantly upregulated, denoting effective activation of the antioxidant system. To some extent, these results provide metabolic insights into the adaptive response mechanism of P. haitanensis to short-term enhanced UV-B radiation.     

从“流动的现代性”到“液态时尚”

本文主要通过齐格蒙·鲍曼的社会学著作《流动的现代性》(Liquid Modernity),讨论当代社会生活特性,并援引了原著中“Liquid”,即“液态、流动的”这一形容词,提出“液态时尚”这一与“流动的现代性”相适应的时尚概念。通过对“液态时尚”设计案例的分类分析,思考“液态时尚”在当代的社会意义和价值。     

基于压缩感知的高阶MIMO系统信道估值算法

针对通信网络中的天线数量巨大，很难完成对信道的有效计算与估值。借助于高阶多输入多输出（MIMO）系统的可靠性，提出了一种基于压缩感知的信道估值高阶MIMO系统。设计了一种简单的导频结构，以降低计算复杂度；利用导频序列长度可以随着信道稀疏度变化情况自适应的调整，从而节省了导频资源的开销。仿真实验表明，与传统的信道估计算法比较，在相同的信道估计精度条件下，HMCE-CS算法可以降低平均导频序列长度；或者在相同的导频序列长度条件下，HMCE-CS算法可以提高信道估计精度，验证了该算法的有效性。     

Regulating the Interfacial Electronic Coupling of Fe2N via Orbital Steering for Hydrogen Evolution Catalysis

The capability of manipulating the interfacial electronic coupling is the key to achieving on-demand functionalities of catalysts. Herein, it is demonstrated that the electronic coupling of Fe₂N can be effectively regulated for hydrogen evolution reaction (HER) catalysis by vacancy-mediated orbital steering. Ex situ refined structural analysis reveals that the electronic and coordination states of Fe₂N can be well manipulated by nitrogen vacancies, which impressively exhibit strong correlation with the catalytic activities. Theoretical studies further indicate that the nitrogen vacancy can uniquely steer the orbital orientation of the active sites to tailor the electronic coupling and thus benefit the surface adsorption capability. This work sheds light on the understanding of the catalytic mechanism in real systems and could contribute to revolutionizing the current catalyst design for HER and beyond.     

城轨车辆一体式贯通道配套端墙结构设计及焊接工艺

阐述了一体式贯通道在城市轨道车辆中的应用及其机构组成、性能特点、安装方式和注意事项等方面的内容。针对一体式贯通道系统的安装要求,完成了车辆端墙结构的重新设计,并通过数值模拟的方法对电阻点焊接头剪切拉伸状态下焊点处应力分布进行分析,结合实际生产需要给出适合的焊接工艺以完成车体端墙结构的装配。结果表明,一体式贯通道优化了地铁车辆的美观度和实用性,数值模拟方法的应用能够有效评估点焊接头的承载能力,并可在实际生产中作为选择制定焊接工艺参数的有效依据,在积累城市轨道车辆设计经验的同时进一步提高了地铁车辆市场竞争力。