Preliminary Structural Data Revealed That the SARS-CoV-2 B.1.617 Variant's RBD Binds to ACE2 Receptor Stronger Than the Wild Type to Enhance the Infectivity

The evolution of new SARS-CoV-2 variants around the globe has made the COVID-19 pandemic more worrisome, further pressuring the health care system and immunity. Novel variations that are unique to the receptor-binding motif (RBM) of the receptor-binding domain (RBD) spike glycoprotein, i. e. L452R-E484Q, may play a different role in the B.1.617 (also known as G/452R.V3) variant's pathogenicity and better survival compared to the wild type. Therefore, a thorough analysis is needed to understand the impact of these mutations on binding with host receptor (RBD) and to guide new therapeutics development. In this study, we used structural and biomolecular simulation techniques to explore the impact of specific mutations (L452R-E484Q) in the B.1.617 variant on the binding of RBD to the host receptor ACE2. Our analysis revealed that the B.1.617 variant possesses different dynamic behaviours by altering dynamic-stability, residual flexibility and structural compactness. Moreover, the new variant had altered the bonding network and structural-dynamics properties significantly. MM/GBSA technique was used, which further established the binding differences between the wild type and B.1.617 variant. In conclusion, this study provides a strong impetus to develop novel drugs against the new SARS-CoV-2 variants.     

基于PMU的电力系统监控体系结构优化设计

文中提出了一种利用有限数量的相量测量单元(PMU)和相量数据集中器(PDC)设计最优监控结构的方法。通过在大量的设定值场景下,使电力系统可观测性曲线的期望值最大化,同时使通信基础设施成本最小化,最终确定PMU和PDC的最佳位置。提出了一种非线性动态扩展卡尔曼滤波(EFK)状态观测器。这种状态观测器可以将暂态行为转换为由代数微分方程描述的广域电力系统,而无需非线性反演技术。最后以IEEE-5电力系统为例,说明了该方法的有效性。     

Scaling analysis of hydrogen flow with carbon dioxide cushion gas in subsurface heterogeneous porous media

Subsurface hydrogen (H₂) storage in geological formations is of growing interest for decarbonization. However, there is a knowledge gap in understanding the multiphase flow involved in this process, which can have a significant impact on the recovery performance of H₂. Therefore, a full-compositional modeling study was conducted to analyze potential issues and to understand the fundamental hydrodynamic mechanisms of H₂ storage. We performed a range of 2D vertical simulations at the decametre scale with a very fine cell size (0.1 m) to observe the detailed flow behaviour of H₂ with carbon dioxide (CO₂) as cushion gas in various flow regimes. Issues such as viscous instability, capillary bypassing, gas trapping and gravity segregation are analysed here. To generalize our calculations, we have validated and applied the scaling theory in the context of subsurface H₂ storage. Since this study is focused on the hydrodynamic behaviour, three dimensionless groups, including aspect factor, capillary/viscous ratio and gravity/viscous ratio were identified to correlate recovery performance between various scales in a fixed heterogeneous system. It was found that H₂ could infiltrate the cushion gas in the proximity of the injectors, meaning that CO₂ is not displaced away from the injectors in a piston-like fashion. As a result, the purity of the back produced H₂ is much degraded, particularly in a viscous-dominated scenario. On the other hand, the injected H₂ mostly accumulates at the top forming a highly restricted mixing zone with CO₂ in the gravity-dominated case. The recovery performance is therefore much improved in this case. Although the gas distribution can be significantly altered by capillary forces leading to bypassed zones, the recovery performance of H₂ is hardly influenced. This is because the back-produced H₂ recovery is not dependent on the sweep efficiency of the gas. H₂ can be back produced following the same paths which were formed during injection.     

自重湿陷性黄土地基预钻孔浸水处理的可靠度设计方法

为解决传统预浸水法存在的浸水时间长、浸水处理范围难以确定等不足,基于土体中水分运移规律,依据可靠度理论、极限状态设计方法及复合 Poisson 过程原理,提出一种消除黄土湿陷性的处理浸水方法——预钻孔浸水法。给出了利用预钻孔浸水法对自重湿陷性黄土地基进行浸水时,水平向及竖直向浸水影响范围的确定模型;在此基础上结合达西定律给出了浸水孔设计参数如孔深、孔间距及浸水孔个数的确定方法。结合铜川某工程,设计进行了现场预钻孔浸水试验,对该方法的合理性进行了验证,并通过现场钻探、现场勘探、室内湿陷性试验等方法对该方法的处理效果进行了评价。该浸水方法具有浸水时间短、浸水影响范围可根据浸水孔布设进行控制等优点,且浸水处理效果良好,完全符合施工要求。     

智能电网中D2D网络的通信资源管理优化方案

当前在智能电网的应用中,各种智能终端的使用,使得移动数据流量空前增长,电力互联方式在面临海量数据传输的需求时,由于资源受限,信道间会产生一定的干扰,从而影响通信质量。为了解决通信资源管理这一问题,与常见的移动边缘计算(MEC)方法不同,文中提出了一种网络资源分配方法,优化链路选择和子信道分配,以实现能量效率的最大化。仿真结果表明,与没有卸载和部分优化的方法相比,此方法在能效方面有了很大的提高。     

电信专业学术英文写作模块化教学实践

学术英文写作是当今电子信息专业研究生必修的一门课程。然而传统的以教师为中心的灌输式教学已不能跟上网络迅猛发展的趋势,尤其是当疫情来临的特殊形势下。此外,现有的学术英文写作教学研究仅提供宏观的设计,缺乏具体的实际可操作性。为此,本文以引言写作逻辑为教学模块案例,探索了如何充分利用网络资源的优势,开展以学生为中心的课前课中课下有机融合的灵活的教学设计。所探索的引言写作技巧和详实的教学设计,为模块化网络教学提供一个切实可行的参考方案。     

An optimal configuration for hybrid SOFC,gas turbine,and Proton Exchange Membrane Electrolyzer using a developed Aquila Optimizer

In this research, a technical, economic and environmental analysis has been proposed to a Hybrid Solid Oxide Fuel Cell (SOFC) system-based hybrid system including biomass, gas turbine, and Proton Exchange Membrane Electrolyzer. A multi-objective optimization technique has been utilized to improve the overall product cost and the exergy effectiveness based on a developed version of Aquila Optimizer (DAO). The main idea of using the developed version is to improve the accuracy and the precision of the original Aquila optimizer. The system is then authenticated in terms of energy/exergy effectiveness, and energy-economic efficiency. The achievements indicate that employing the optimization algorithm for different configurations provided satisfying results for the system.     

Swapping catalytic active sites from cationic Ni to anionic F in Fe–F–Ni3S2 enables more efficient alkaline oxygen evolution reaction and urea oxidation reaction

Electrolysis of water for producing hydrogen instead of traditional fossil fuels is one of the most promising methods to alleviate environmental pollution and energy crisis. In this work, Fe and F ion co-doped Ni₃S₂ nanoarrays grown on Ni foam substrate were prepared by typical hydrothermal and sulfuration processes for the first time. Density functional theory (DFT) calculation demonstrate that the adsorption energy of the material to water is greatly enhanced due to the doping of F and Fe, which is conducive to the formation of intermediate species and the improvement of electrochemical performance of the electrode. The adsorption energy of anions (F and S) and cations (Fe and Ni) to water in each material was also calculated, and the results showed that F ion showed the most optimal adsorption energy of water, which proved that the doping of F and Fe was beneficial to improve the electrochemical performance of the electrode. It is worth noting that the surface of Fe–F–Ni₃S₂ material will undergo reconstruction during the process of water oxidation reaction and urea oxidation reaction, and amorphous oxides or hydroxides in situ would be formed on the surface of electrode, which are the real active species.     

Yttrium doped covalent triazine frameworks as promising reversible hydrogen storage material: DFT investigations

Through Density Functional Theory (DFT) simulations, we have explored the possibility of yttrium (Y) doped Triazine (Covalent Triazine Frameworks i.e., CTF-1) to be a promising material for reversible hydrogen storage. We have found that Y atom strongly bonded on Triazine surface can adsorb at the most 7H₂ molecules with an average binding energy of ?0.33 eV/H₂. This boosts the storage capacity of the system to 7.3 wt% which is well above the minimum requirement of 6.5 wt% for efficient storage of hydrogen as stipulated by the US Department of Energy (DoE). The structural integrity over and above the desorption temperature (420 K) has been entrenched through Molecular Dynamics simulations and the investigation of metal-metal clustering has been corroborated through diffusion energy barrier computation. The mechanism of interactions between Y and Triazine as well as between H₂ molecules and Y doped Triazine has been explored via analyses of the partial density of states, charge density, and Bader charge. It has been perceived that the interplay of H₂ molecules with Y on Triazine is Kubas-type of interaction. The above-mentioned analysis and outcomes make us highly optimistic that Y doped Triazine could be employed as reversible hydrogen storage material which can act as an environmentally friendly alternate fuel for transport applications.