计算机在通信技术应用中发展研究

随着社会的发展,人们对通信质量的需求不断提高,计算机技术在通信领域中的应用使通信变得更加便捷.计算机是信息通信时代的基础,是现代和未来信息时代一项重要的信息基础设施,为信息的传递提供高效、统一、高速的通信环境.     

星载-机载混合双站SAR回波信号的仿真

对于星载-机载双站合成孔径雷达（SA-BiSAR）系统,回波模拟的关键是计算出卫星、飞机和目标这三者之间的距离。在考虑地球自转的情况下,提出了用坐标变换的方法,解决了近地空间与外太空之间距离的计算问题,实现了任意几何模型下更为精确的SA-BiSAR回波模拟。同时,利用此方法也可获得直达波信号。点目标的仿真展示了SAR回波信号的特征,该方法得到了验证。     

变电运行动态培训仿真系统的研制

本文重要介绍用于电气运行人员培训的动态仿真专家系统的设计思想、实现方法及其应用效果。     

Sarcorucinine-D Inhibits Cholinesterases and Calcium Channels: Molecular Dynamics Simulation and In Vitro Mechanistic Investigations

Acetylcholinesterase (AChE) inhibitors and calcium channel blockers are considered effective therapies for Alzheimer’s disease. AChE plays an essential role in the nervous system by catalyzing the hydrolysis of the neurotransmitter acetylcholine. In this study, the inhibition of the enzyme AChE by Sarcorucinine-D, a pregnane type steroidal alkaloid, was investigated with experimental enzyme kinetics and molecular dynamics (MD) simulation techniques. Kinetics studies showed that Sarcorucinine-D inhibits two cholinesterases—AChE and butyrylcholinesterase (BChE)—noncompetitively, with K_i values of 103.3 and 4.66 µM, respectively. In silico ligand-protein docking and MD simulation studies conducted on AChE predicted that Sarcorucinine-D interacted via hydrophobic interactions and hydrogen bonds with the residues of the active-site gorge of AChE. Sarcorucinine-D was able to relax contractility concentration-dependently in the intestinal smooth muscles of jejunum obtained from rabbits. Not only was the spontaneous spasmogenicity inhibited, but it also suppressed K⁺-mediated spasmogenicity, indicating an effect via the inhibition of voltage-dependent Ca²⁺ channels. Sarcorucinine-D could be considered a potential lead molecule based on its properties as a noncompetitive AChE inhibitor and a Ca²⁺ channel blocker.     

Structural Investigation of the Interaction Mechanism between Chlorogenic Acid and AMPA Receptor via In Silico Approaches

Chlorogenic acid (CGA), an important metabolite in natural plant medicines such as honeysuckle and eucommia, has been shown to have potent antinociceptive effects. Nevertheless, the mechanism by which CGA relieves chronic pain remains unclear. α-amino-3-hydroxy-5-methyl-4-isooxazolpropionic acid receptor (AMPAR) is a major ionotropic glutamate receptor that mediates rapid excitatory synaptic transmission and its glutamate ionotropic receptor AMPA type subunit 1 (GluA1) plays a key role in nociceptive transmission. In this study, we used Western blot, surface plasmon resonance (SPR) assay, and the molecular simulation technologies to investigate the mechanism of interaction between CGA and AMPAR to relieve chronic pain. Our results indicate that the protein expression level of GluA1 showed a dependent decrease as the concentration of CGA increased (0, 50, 100, and 200 μM). The SPR assay demonstrates that CGA can directly bind to GluA1 (K_D = 496 μM). Furthermore, CGA forms a stable binding interaction with GluA1, which is validated by molecular dynamics (MD) simulation. The binding free energy between CGA and GluA1 is −39.803 ± 14.772 kJ/mol, where van der Waals interaction and electrostatic interaction are the major contributors to the GluA1–CGA binding, and the key residues are identified (Val-32, Glu-33, Ala-36, Glu-37, Leu-48), which play a crucial role in the binding interaction. This study first reveals the structural basis of the stable interaction between CGA and GluA1 to form a binding complex for the relief of chronic pain. The research provides the structural basis to understand the treatment of chronic pain and is valuable to the design of novel drug molecules in the future.     

改进型单晶炉提拉系统偏心平衡研究

随着光伏行业的快速发展, 对硅单晶的品质和长晶装备的稳定性的要求也不断提高。直拉法是生产硅单晶的主要方法,通过提高单晶炉副室的高度以扩大单晶硅的生产规模。由于副室高度的大幅增加,且单晶炉提拉头质心相对于旋转轴心有一定距离,对单晶炉整体稳定性有较大影响,从而降低了单晶硅的生产质量。针对此问题,对单晶炉建立可靠的力学分析模型,采用数值仿真方法,对单晶炉整体进行动力学响应分析,计算得到副室高度增加后的单晶炉工作时中钨丝绳下端晶棒的运动规律以及最大摆动幅度,为改进设计提供依据。数值仿真分析表明提高单晶炉副室高度后,提拉头较大的质心偏心是单晶炉提拉系统发生摆动的主要原因。在此基础上提出在提拉头上添加质心调节装置,通过控制系统调节可保证提拉头质心位置在旋转轴线上以降低提拉系统的摆动。     

孔梯度陶瓷纤维复合膜管的制备及特性

陶瓷过滤管具有孔隙率高、耐腐蚀、耐高温、机械强度高、便于清洗、使用寿命长等优点,是高温烟尘处理用的高效过滤元件.本文研制了一种具有梯度孔结构堇青石陶瓷纤维复合膜过滤元件,该过滤元件是由多孔支撑体、过渡层和分离膜层组成.其中支撑体、过渡层和分离层的气孔率分别为35～40;、50～60;和60～70;.文中主要分析了孔梯度陶瓷纤维复合膜管的材料结构和抗热震性能,同时对复合膜管进行含尘气体过滤的冷态模拟试验.对于烟气中粒径大于或等于0.1μm的颗粒,复合膜管的截留率达到99.8;以上.     

Open-Source Browser-Based Tools for Structure-Based Computer-Aided Drug Discovery

We here outline the importance of open-source, accessible tools for computer-aided drug discovery (CADD). We begin with a discussion of drug discovery in general to provide context for a subsequent discussion of structure-based CADD applied to small-molecule ligand discovery. Next, we identify usability challenges common to many open-source CADD tools. To address these challenges, we propose a browser-based approach to CADD tool deployment in which CADD calculations run in modern web browsers on users’ local computers. The browser app approach eliminates the need for user-initiated download and installation, ensures broad operating system compatibility, enables easy updates, and provides a user-friendly graphical user interface. Unlike server apps—which run calculations “in the cloud” rather than on users’ local computers—browser apps do not require users to upload proprietary information to a third-party (remote) server. They also eliminate the need for the difficult-to-maintain computer infrastructure required to run user-initiated calculations remotely. We conclude by describing some CADD browser apps developed in our lab, which illustrate the utility of this approach. Aside from introducing readers to these specific tools, we are hopeful that this review highlights the need for additional browser-compatible, user-friendly CADD software.     

Toxic Effect of Fullerene and Its Derivatives upon the Transmembrane β2-Adrenergic Receptors

Numerous experiments have revealed that fullerene (C₆₀) and its derivatives can bind to proteins and affect their biological functions. In this study, we explored the interaction between fullerine and the β₂-adrenergic receptor (β₂AR). The MD simulation results show that fullerene binds with the extracellular loop 2 (ECL2) and intracellular loop 2 (ICL2) of β₂AR through hydrophobic interactions and π–π stacking interactions. In the C₆₀_in1 trajectory, due to the π–π stacking interactions of fullerene molecules with PHE and PRO residues on ICL2, ICL2 completely flipped towards the fullerene direction and the fullerene moved slowly into the lipid membrane. When five fullerene molecules were placed on the extracellular side, they preferred to stack into a stable fullerene cluster (a deformed tetrahedral aggregate), and had almost no effect on the structure of β₂AR. The hydroxyl groups of fullerene derivatives (C₆₀(OH)_X, X represents the number of hydroxyl groups, X = 4, 8) can form strong hydrogen bonds with the ECL2, helix6, and helix7 of β₂AR. The hydroxyl groups firmly grasp the β₂AR receptor like several claws, blocking the binding entry of ligands. The simulation results show that fullerene and fullerene derivatives may have a significant effect on the local structure of β₂AR, especially the distortion of helix4, but bring about no great changes within the overall structure. It was found that C₆₀ did not compete with ligands for binding sites, but blocked the ligands’ entry into the pocket channel. All the above observations suggest that fullerene and its derivatives exhibit certain cytotoxicity.     

增材制造八角桁架点阵结构材料的力学行为

基于激光选区熔化增材制造技术(SLM), 以GP1不锈钢为母材, 制备4种相对密度的八角桁架点阵结构试样, 开展了准静态单轴压缩和直接撞击式霍普金森压杆实验, 并结合显式有限元计算模拟, 研究了相对密度和加载速率对八角桁架点阵结构试样在力学响应、变形模式和吸能特性的影响. 结果显示: (1)相对密度是影响八角桁架点阵结构材料力学响应的关键参数, 屈服载荷随着相对密度基本呈线性增长, 并且表现出明显的应变率强化效应; (2)在准静态压缩下, 随着相对密度增大, 八角桁架点阵结构的变形模式由弯扭屈曲模式逐渐向稳定屈服模式转变; 而在冲击压缩下, 八角桁架点阵结构的变形模式随着冲击速度由对称稳定变形模式向非对称逐渐压垮模式转变; (3)八角桁架点阵结构总吸能随着相对密度线性增大, 而比吸能随着相对密度呈现双线性变化, 在相对密度30%处出现拐折, 当相对密度高于30%后, 比吸能增大缓慢; (4)与准静态加载相比, 冲击加载下八角桁架点阵结构的总吸能和比吸能都显著提升.