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1.
Heparanase (Hpse) is an endo-β-D-glucuronidase capable of cleaving heparan sulfate side chains. Its upregulated expression is implicated in tumor growth, metastasis and angiogenesis, thus making it an attractive target in cancer therapeutics. Currently, a few small molecule inhibitors have been reported to inhibit Hpse, with promising oral administration and pharmacokinetic (PK) properties. In the present study, a ligand-based pharmacophore model was generated from a dataset of well-known active small molecule Hpse inhibitors which were observed to display favorable PK properties. The compounds from the InterBioScreen database of natural (69,034) and synthetic (195,469) molecules were first filtered for their drug-likeness and the pharmacophore model was used to screen the drug-like database. The compounds acquired from screening were subjected to molecular docking with Heparanase, where two molecules used in pharmacophore generation were used as reference. From the docking analysis, 33 compounds displayed higher docking scores than the reference and favorable interactions with the catalytic residues. Complex interactions were further evaluated by molecular dynamics simulations to assess their stability over a period of 50 ns. Furthermore, the binding free energies of the 33 compounds revealed 2 natural and 2 synthetic compounds, with better binding affinities than reference molecules, and were, therefore, deemed as hits. The hit compounds presented from this in silico investigation could act as potent Heparanase inhibitors and further serve as lead scaffolds to develop compounds targeting Heparanase upregulation in cancer.  相似文献   
2.
为了获取TC11钛合金拉伸性能随应变率的变化规律,对该材料开展了宽应变率范围下的单轴拉伸试验。结果表明,随着应变率从准静态增加到动态,TC11钛合金的屈服强度略有上升,而应变硬化模量下降。此外,在准静态和动态拉伸下,TC11钛合金均发生了剪切断裂,但动态断裂面上韧窝尺寸小于准静态断面上韧窝尺寸。进一步对材料在变形过程中的温升进行了分析,结果发现,高应变率下材料断裂面上更小尺寸的韧窝和材料更容易发生应变软化归因于动态加载情况下材料中产生了更高的温升。  相似文献   
3.
阿尔兹海默病的疾病进展模型与研究进展   总被引:1,自引:0,他引:1  
阿尔兹海默病(AD)是一种病理机制暂不明确的神经退行性疾病,定量药理学中的疾病进展模型可以通过定量的方法充分描述AD患者疾病发展轨迹。通过模型中引入生物标志物信息,可有助于加深对AD病理机制的研究,辅助并优化临床试验的设计。现已有多种经验性或半机制的AD疾病进展模型报道。本文对此进行了综述,以期为阿尔兹海默病的临床研究和新药研发提供参考。  相似文献   
4.
Smartphones are being used and relied on by people more than ever before. The open connectivity brings with it great convenience and leads to a variety of risks that cannot be overlooked. Smartphone vendors, security policy designers, and security application providers have put a variety of practical efforts to secure smartphones, and researchers have conducted extensive research on threat sources, security techniques, and user security behaviors. Regrettably, smartphone users do not pay enough attention to mobile security, making many efforts futile. This study identifies this gap between technology affordance and user requirements, and attempts to investigate the asymmetric perceptions toward security features between developers and users, between users and users, as well as between different security features. These asymmetric perceptions include perceptions of quality, perceptions of importance, and perceptions of satisfaction. After scoping the range of smartphone security features, this study conducts an improved Kano-based method and exhaustively analyzes the 245 collected samples using correspondence analysis and importance satisfaction analysis. The 14 security features of the smartphone are divided into four Kano quality types and the perceived quality differences between developers and users are compared. Correspondence analysis is utilized to capture the relationship between the perceived importance of security features across different groups of respondents, and results of importance-satisfaction analysis provide the basis for the developmental path and resource reallocation strategy of security features. This article offers new insights for researchers as well as practitioners of smartphone security.  相似文献   
5.
为了提升煤矿车辆异常行为检测水平,设计了基于红外遥感信息的煤矿车辆异常行为检测方法。该方法引入清晰度权重以及拉伸系数实现红外遥感图像中目标煤矿车辆部位的局部增强,利用均值漂移算法跟踪增强后的红外遥感图像中目标煤矿车辆,依据煤矿车辆跟踪结果提取煤矿车辆运动方向、运动速度以及运动方向3项异常行为检测参数,采用加权融合方法处理煤矿车辆异常行为检测参数的状态函数,融合结果高于所设定阈值时,煤矿车辆存在异常行为,否则煤矿车辆为正常行驶状态。实验结果表明,该方法可利用煤矿车辆位置、车辆行驶速度以及车辆方向变化检测煤矿车辆异常行为,具有较高的应用性。  相似文献   
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双臂机器人系统是当前机器人领域的研究热点,特别是随着单臂机器人在操作能力、控制等方面的局限性不断凸显,最近的研究集中在拥有协调操作能力的冗余双臂机器人。对双臂操作进行分类,然后从双臂协调运动方式、双臂协调控制问题、感知传感器、模仿学习、人机交互五个方面进行分析;综述从运动学、动力学现状入手,分析了双臂协调控制与单臂控制方式在约束关系、运动规划、协调控制方式等方面的不同与发展,结合感知传感器、模仿学习等方法在双臂协调控制中的应用;对人机协作中的交互方式进行了分析,并对双臂机器人的未来研究方向进行了展望。  相似文献   
9.
In this work, we developed a novel system of isovalent Zr4+ and donor Nb5+ co-doped CaCu3Ti4O12 (CCTO) ceramics to enhance dielectric response. The influences of Zr4+ and Nb5+ co-substituting on the colossal dielectric response and relaxation behavior of the CCTO ceramics fabricated by a conventional solid-phase synthesis method were investigated methodically. Co-doping of Zr4+ and Nb5+ ions leads to a significant reduction in grain size for the CCTO ceramics sintered at 1060 °C for 10 h. XRD and Raman results of the CaCu3Ti3.8-xZrxNb0.2O12 (CCTZNO) ceramics show a cubic perovskite structure with space group Im-3. The first principle calculation result exhibits a better thermodynamic stability of the CCTO structure co-doped with Zr4+ and Nb5+ ions than that of single-doped with Zr4+ or Nb5+ ion. Interestingly, the CCTZNO ceramics exhibit greatly improved dielectric constant (~105) at a frequency range of 102–105 Hz and at a temperature range of 20–210 °C, indicating a giant dielectric response within broader frequency and temperature ranges. The dielectric properties of CCTZNO ceramics were analyzed from the viewpoints of defect-dipole effect and internal barrier layer capacitance (IBLC) model. Accordingly, the immensely enhanced dielectric response is primarily ascribed to the complex defect dipoles associated with oxygen vacancies by co-doping Zr4+ and Nb5+ ions into CCTO structure. In addition, the obvious dielectric relaxation behavior has been found in CCTZNO ceramics, and the relaxation process in middle frequency regions is attributed to the grain boundary response confirmed by complex impedance spectroscopy and electric modulus.  相似文献   
10.
分析了混合型有源滤波器HAPF(hybrid active power filter)在高压直流系统应用时的稳定性问题,其中HAPF采用H桥级联变换器与LC滤波器组合的方案,对高压直流系统的特征谐波电流进行滤波。为了分析在电网阻抗变化时HAPF出现的谐波谐振现象,对HAPF进行了阻抗建模,基于阻抗模型的分析结果,采用了具有延时补偿功能的谐振调节器对阻抗特性进行修正,并从提高稳定性角度提出了相应的控制参数设计方法。阻抗模型分析结果表明,控制系统延时产生的负阻尼是引发稳定性问题的主要原因,采用改进后的控制方法可以将延时产生的负阻尼修正为正阻尼,能够有效避免谐波谐振。在PSCAD中进行仿真建模,并通过阻抗扫描验证了有源滤波器的阻抗特性。仿真案例证实了控制方法的有效性。  相似文献   
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