增材制造设计(DfAM)下的金刚石晶格结构研究

基于机械零件的增材制造设计,用仿自然式方法设计了一种金刚石晶格结构,对晶胞相对密度和等效弹性模量建立了数学模型,并拟合得到二者关系式,一系列的仿真验证结果显示理论研究所得关系式具有一定的正确性;对金刚石晶格填充结构提出变密度假设,并用仿真和压缩试验的方法进行了验证,结果显示,填充单元密度以受力点为中心渐渐减小的变密度结构拥有更好的抗压性能,同时验证了本文得出的等效弹性模量数学模型具有一定的正确性和适用性.本研究结果可应用于承压机械零件的实体夹层填充,对机械零件进行应力匹配变密度设计,以达到机械结构轻量化的目标.     

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.     

Agro-Waste Generated Pd/CAP-Ash Catalyzed Ligand-Free Approach for Suzuki–Miyaura Coupling Reaction

Catalysis Letters - We converted agro-waste Custard Apple Peels (CAP) to ash via thermal treatment, on which Pd(OAc)2 was immobilized easily that produced a low-cost, highly efficient Pd/CAP-ash...     

Inhibition of RANKL-Induced Osteoclastogenesis by Novel Mutant RANKL

Background: Recently, it was reported that leucine-rich repeat-containing G-protein-coupled receptor 4 (LGR4, also called GPR48) is another receptor for RANKL and was shown to compete with RANK to bind RANKL and suppress canonical RANK signaling during osteoclast differentiation. The critical role of the protein triad RANK–RANKL in osteoclastogenesis has made their binding an important target for the development of drugs against osteoporosis. In this study, point-mutations were introduced in the RANKL protein based on the crystal structure of the RANKL complex and its counterpart receptor RANK, and we investigated whether LGR4 signaling in the absence of the RANK signal could lead to the inhibition of osteoclastogenesis.; Methods: The effects of point-mutated RANKL (mRANKL-MT) on osteoclastogenesis were assessed by tartrate-resistant acid phosphatase (TRAP), resorption pit formation, quantitative real-time polymerase chain reaction (qPCR), western blot, NFATc1 nuclear translocation, micro-CT and histomorphological assay in wild type RANKL (mRANKL-WT)-induced in vitro and in vivo experimental mice model. Results: As a proof of concept, treatment with the mutant RANKL led to the stimulation of GSK-3β phosphorylation, as well as the inhibition of NFATc1 translocation, mRNA expression of TRAP and OSCAR, TRAP activity, and bone resorption, in RANKL-induced mouse models; and Conclusions: The results of our study demonstrate that the mutant RANKL can be used as a therapeutic agent for osteoporosis by inhibiting RANKL-induced osteoclastogenesis via comparative inhibition of RANKL. Moreover, the mutant RANKL was found to lack the toxic side effects of most osteoporosis treatments.     

Phase,domain, and microstructures in Sr2+ substituted low-temperature sintering PZT-based relaxor ferroelectrics

The Ag-Pd internal electrode of multilayer piezoelectric ceramics needs to be sintered below 1000°C, and lead wires and components need to be welded with lead-free solder at 260°C. PNN–PMW–PZT–xSr piezoelectric ceramics with high Curie temperature (T_c > 260°C) were synthesized at a low sintering temperature (960°C) to meet the requirements of multilayer piezoelectric devices. The relationship between structures (phase, domain, and microstructures) and electrical properties (piezo/ferroelectric properties, and dielectric relaxation) in the Sr²⁺ substituted ceramics was investigated. Rietveld refinement and Raman spectra show that Sr²⁺ substitution can cause the phase change and increase the force constant of [BO₆] octahedron. The piezoelectric response increases with increasing the content of the tetragonal phase (CTP) in the rhombohedral-tetragonal (R-T) coexisted ceramics. The ceramics with 0.6 mol% Sr²⁺ substitution have minimum activation energy for domain wall movement (E_a) of 0.0362 eV which favors the formation of nanometer-sized domains, and possess excellent electrical properties (d₃₃ = 623 pC/N, d₃₃^* =783 pm/V, T_c =295°C). The higher the CTP, the lower the E_a. The lower E_a favors the rotation of polarization direction and extension, and is beneficial to the generation of the nanometer-size domains, resulting in high piezoelectric properties.     

超大型塔器整体两侧直线度检测

在传统检测手段无法满足越来越趋向大型化、超大型化的塔器整体两侧直线度的过程检测和控制保障背景下,打破传统思维,大胆创新检测手段,自行设计开发出超大型塔器整体两侧直线度检测整套技术,充分解决超大型塔器整体两侧直线度的检测难题.     

食品安全国家标准中维生素的测定方法及进展

人体所必需的营养素除了蛋白质、脂类、糖类等能量物质外,维生素也是不可或缺的营养物质,是评价其营养质量的关键指标。检测食品中的维生素含量,是有效保证其质量与安全的必要条件。因此,对现有国家标准食品中维生素的检测方法进行综述,总结各方法的前处理及检出限等,为增强检测工作效率,以及食品检测方法的研究和发展提供参考。     

基于像素偏转模型和机器学习的室外图像天空像素检测

图像中的天空区域对于基于视觉的地面机器人导航具有重要意义,为了识别图像中的天空部分,本文提出了一种基于像素偏转模型的BP神经网络天空识别方法.首先,制作天空图像集和非天空图像集,天空图像集由各种天气情况下的天空提取而成,非天空图像集由非天空的景物构成,主要包括建筑、汽车、树木、植物等;其次,使用提出的像素偏转模型提取天空图像集和非天空图像集的像素特征并进行处理,对天空像素点和非天空像素点进行标注,利用BP神经网络对像素特征进行训练,得到权重文件;最后,使用得到的权重文件进行天空的识别.为了更好的说明本文算法和模型的优越性,使用本文算法与Otsu算法、YeHu算法、Graph-cut算法和Mask-Rcnn算法模型进行了比较,并设计了两组组对比实验,第一组实验进行识别效果的主观评价,第二组实验利用CamVid数据集的天空类进行算法精度的定量分析.     

FE-SEA方法在平台支持船噪声预报中的应用

平台支持船由于作业需要通常配备有动力定位系统,其在侧推工况下舱室噪声超标较为严重。针对这个问题采用计算流体力学(CFD)方法,得到侧推螺旋桨作用在导管上的脉动压力,并将时域计算结果转换成噪声计算的激励条件。采用有限元(FE)与统计能量分析(SEA)混合方法建立船体中频段FE-SEA耦合模型并建立船体高频段SEA模型,对某65 m AHTS船侧推工况下全频段(63 Hz~8000 Hz)舱室噪声进行预报,分析该船噪声分布规律及主要影响因素。并建立起全船的SEA模型,在中频段对比SEA与FE-SEA两种方法得到的舱室声压级频谱曲线,验证了使用混合模型的必要性。     

Inter-Sample and Intra-Sample Variability in Electronic Properties of Methylammonium Lead Iodide

While the challenges associated with the stability of metal halide perovskites are well known and intensely studied, variability in electronic properties represents an equally significant, yet seldom studied, challenge that could potentially slow or inhibit the commercial viability of these systems. In this work, the contactless characterization technique time-resolved microwave conductivity (TRMC) is used to quantify the variability in electronic properties of the prototypical perovskite, methylammonium lead iodide (MAPbI₃) both between different samples, and at different locations within the same sample. Using scanning electron microscopy (SEM) and a quasi-automated image-analysis strategy, it is possible to evaluate the metrics of heterogeneity in surface microstructure and correlate them with the electronic properties as obtained by TRMC. Substantial intra-sample and inter-sample variation is observed in the mobility-yield product in samples prepared following differing protocols, and in samples prepared following identical protocols.