Computational Investigation Identified Potential Chemical Scaffolds for Heparanase as Anticancer Therapeutics

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.     

虚实结合的可穿戴产品适合性检验研究

目的 为了更科学地研究和检验可穿戴产品的适合性,提出一种适合性检验方法,能够精确保留现实环境中的产品佩戴关系,并能将现实与虚拟的适合性检验研究相结合,得到合理的适合性检验结果.方法 以虚拟现实眼镜的适合性检验为例,通过高精度的三维测量技术将现实环境中的人、产品以及人—产品佩戴关系转化为三维虚拟信息,并以人—产品佩戴三维模型为参考基准对齐人和产品的虚拟模型,得到保留现实佩戴关系的人—产品佩戴模型组,再应用偏差分析法得出人—机佩戴区域的可视化适合性结果和统计数据,结合主观评价方法进一步分析产品的适合性.结论 虚实结合的产品适合性检验方法可在虚拟环境中高精度地保留现实环境中的人—产品佩戴关系,并能得到可视化的适合性检验结果,为检验和指导产品的适合性提供依据.     

Mass transfer in polycrystalline ytterbium monosilicate under oxygen potential gradients at high temperatures

Mass transfer in polycrystalline Yb₂SiO₅ wafers with precise composition control was evaluated and analyzed by oxygen permeation experiments at high temperatures using an oxygen tracer. Oxygen permeation proceeded due to mutual grain boundary diffusion of oxide ions and Yb ions without synergistic effects such as acceleration or suppression. The oxygen shielding properties of Yb₂SiO₅ were compared with those of the other line compounds such as Yb₂Si₂O₇ and Al₂O₃ based on the determined mass transfer parameters. It was found that the more preferentially an oxide ion diffuses in the grain boundary compared to the interior of the grain, the greater the effect of suppressing the movement of the oxide ion by applying an oxygen potential gradient becomes.     

Simultaneously achieving high energy-storage density and power density under low electric fields in NBT-based ceramics

Aiming at the problem that power density and energy density are difficult to obtain simultaneously under low field, a novel composition (1-x)Na_0·5Bi_0·5TiO₃-xBaZn_1/3Ta_2/3O₃((1-x)NBT-xBZT) was designed and fabricated via solid-state methods. With the addition of BZT, the crystal lattice, structural symmetry, grain size, and dense degree were all increased proved by XRD, Raman, and Archimedes drainage method et al. Because of the enhancement of relaxor behavior, the x=0.10 sample displayed a high permittivity ε_r of 2871±15% and a low dielectric loss tan δ ≤ 0.025 in the wide temperature range of 60–400 ^oC. This ceramic also showed maximum recoverable energy density W_d (2.07 J/cm³) with high efficiency η (71.5%) under a low field of 150 kV/cm. Moreover, pulse discharge testing proved that this ceramic possessed both a significant discharge energy density W_D (0.96 J/cm³) and a record high power density P_D (108.54 MW/cm³). This work provided a promising material for high power and energy applications.     

5A06-O aluminium–magnesium alloy sheet warm hydroforming and optimization of process parameters

The uniaxial tensile test of the 5A06-O aluminium–magnesium (Al–Mg) alloy sheet was performed in the temperature range of 20–300 °C to obtain the true stress–true strain curves at different temperatures and strain rates. The constitutive model of 5A06-O Al–Mg alloy sheet with the temperature range from 150 to 300°C was established. Based on the test results, a unique finite element simulation platform for warm hydroforming of 5A06-O Al–Mg alloy was set up using the general finite element software MSC.Marc to simulate warm hydroforming of classic specimen, and a coupled thermo-mechanical finite element model for warm hydroforming of cylindrical cup was built up. Combined with the experiment, the influence of the temperature field distribution and loading conditions on the sheet formability was studied. The results show that the non-isothermal temperature distribution conditions can significantly improve the forming performance of the material. As the temperature increases, the impact of the punching speed on the forming becomes particularly obvious; the optimal values of the fluid pressure and blank holder force required for forming are reduced.     

基于PBFT区块链技术的电网企业仓储系统

提出了一种基于实用拜占庭容错(PBFT)算法的区块链技术,首先对传统的实用拜占庭容错算法原理进行了阐述,该传统算法包含前期、需求、预准备、准备、确认、答复6个阶段,但传统算法具有实时性差、缺乏惩罚机制、带宽高的缺点。针对出现的这些问题,又对传统算法进行了改进,具体涉及记账节点、共识过程以及视图切换过程。通过测试进一步证明了该改进算法的实用性,并将该算法应用于电网企业中,构建的虚拟仓库实现了联储联备,降低了库存资金的耗费,并且提高了电网企业库存管理的效率。     

电磁场与电磁波课程思政教学改革探索与实践

课程思政作为思想政治理论课程的有效补充，是落实立德树人根本任务的重要组成。《电磁场与电磁波》是物理、电类等专业的重要专业基础课程，深入挖掘其课程思政元素,能够发挥专业课程的隐性育人作用，实现知识传授、能力培养与价值引领的有机融合，对于理工科专业课进行课程思政改革具有现实指导作用。     

碳中和背景下配电网差异化节能降耗潜力评估分

为了提高配电网差异化节能降耗效果，解决现有潜力评估方法存在的应用性能差的问题，提出碳中和背景下配电网差异化节能降耗潜力优化评估方法。根据配电网的空间结构，构建相应的等值电路模型。在该模型下，从设备损耗和运行附加损耗2个方面计算配电网的损耗量。根据损耗量计算结果，确定配电网差异化碳中和节能降耗方式。从静态和动态2个角度设置潜力评估指标，通过指标数据处理、指标权重求解等步骤，得出配电网差异化节能降耗潜力的综合量化评估结果。将设计潜力评估方法应用到配电网的差异化节能降耗改造工作中，能够有效降低配电网的实际线损量、降低区域损耗费用，并具有较高的应用价值。     

温度对核电站传热管阵列声透射特性的影响

为了研究温度分布对于管阵列结构中的声透射特性的影响，以核电站的实际工况为背景，构建了不同的温度场以及周期性变化的非均匀温度场，利用有限元方法进行数值模拟。结果表明：（1）温度分布会改变管阵列声透射频谱的“禁带”宽度以及中心频率位置。在同一介质中，温度变化对频率较高位置的影响大于频率较低的位置。（2）在同样为10℃的温度差下，当水的平均声速为1 653 m·s^-1、饱和水蒸气的平均声速为522.5 m·s^-1时，介质为水时的禁带宽度及中心频率位置变化较大，即声速大的介质的频谱对于温度的变化更敏感。（3）当温度差在10℃以内，在周期性变化的非均匀温度场和与均匀温度场中管阵列声透射特性在第一中心频率23 996.1 Hz之前，两频谱差别很小，在第一禁带之后会出现明显区别。该研究成果对完善核电站应用的声学检测提供了理论基础。