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1.
Shraddha Parate Vikas Kumar Danishuddin Jong Chan Hong Keun Woo Lee 《International journal of molecular sciences》2021,22(10)
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
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海上风电作为可再生清洁能源之一,受到世界各国的高度重视与大力发展。我国将海上风电提升至解决能源危机、减缓气候变化、调整能源结构的国家战略高度,到2030年我国单位国内生产总值二氧化碳排放将比2005年下降65%以上,非化石能源占一次能源消费比重将达到25%左右。安装平台不足将是我国海上风电场无法如期建成投产的主要障碍。对自升自航式海上风电安装平台系列高端装备及其设计制造的三大技术难题——腿站立作业易“失稳”、大平台大跨距大倾覆力矩自升易“失控”、高空吊装巨型叶片逾百螺栓精准定位易“失准”,以及焊缝缺陷修复和局部裂纹损伤的激光锻造修复再制造进行了介绍,研制的具有不同规格的系列装备在中国、英国、丹麦、德国等国家的著名海上风电场建设应用情况良好。 相似文献
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Sergey Tkachev Miguel Monteiro João Santos Ernesto Placidi Mohamed Ben Hassine Pedro Marques Paulo Ferreira Pedro Alpuim Andrea Capasso 《Advanced functional materials》2021,31(33):2103287
Graphene-based materials have attracted significant attention in many technological fields, but scaling up graphene-based technologies still faces substantial challenges. High-throughput top-down methods generally require hazardous, toxic, and high-boiling-point solvents. Here, an efficient and inexpensive strategy is proposed to produce graphene dispersions by liquid-phase exfoliation (LPE) through a combination of shear-mixing (SM) and tip sonication (TS) techniques, yielding highly concentrated graphene inks compatible with spray coating. The quality of graphene flakes (e.g., lateral size and thickness) and their concentration in the dispersions are compared using different spectroscopic and microscopy techniques. Several approaches (individual SM and TS, and their combination) are tested in three solvents (N-methyl-2-pyrrolidone, dimethylformamide, and cyrene). Interestingly, the combination of SM and TS in cyrene yields high-quality graphene dispersions, overcoming the environmental issues linked to the other two solvents. Starting from the cyrene dispersion, a graphene-based ink is prepared to spray-coat flexible electrodes and assemble a touch screen prototype. The electrodes feature a low sheet resistance (290 Ω □−1) and high optical transmittance (78%), which provide the prototype with a high signal-to-noise ratio (14 dB) and multi-touch functionality (up to four simultaneous touches). These results illustrate a potential pathway toward the integration of LPE-graphene in commercial flexible electronics. 相似文献
6.
针对呼吸道系统疾病与大气 PM2:5、 SO2 浓度序列的相关性特征, 应用多重分形消除趋势波动分析法
(MF-DCCA), 对张家界市永定区呼吸道系统疾病患病人数与大气 PM2:5、 SO2 浓度序列进行了研究。结果发现该地区
呼吸道系统疾病患病人数与大气 PM2:5、 SO2 浓度的相关性具有长期持续特征和多重分形特征。随后对它们相关性
多重分形特征的动力来源进行了分析, 通过随机重排和相位随机处理, 结果表明在不同时间尺度上的长期持续性影响
是其主要动力来源。进一步研究发现该地区呼吸道系统疾病与大气 PM2:5、 SO2 浓度序列的相关性在四个季节均具
有长期持续性的多重分形特征, 且夏季多重分形特征相对强于其他季节。 相似文献
7.
Barium strontium alumino silicate (BSAS); (Ba0.6Sr0.4Al2Si2O8) was synthesized through solid state reaction between BaCO3, SrCO3, Al2O3 and SiO2 subjected to wet milling in isopropanol for about 24 h. The sequence of the solid state reaction was studied by subjecting to DG/DTG from room temperature to 1550 °C. The crystallographic phase evolution was confirmed by X-ray diffraction of the powders calcined in the range 1000 to 1300 °C for 2 h. The monoclinic celsian phase obtained at 1300 °C, pelletized through uniaxial pressing was sinterable to 67 to 78% density in the temperature range of 1300 to 1500 °C. The density improved to 75 to 94% after ball milling for 76 h, while ZrO2 addition further improved the density by 2%. The celcian phase of BSAS was dispersed in isopropyl alcohol, milled for about 24 h and spray coated on to plain SiC and mullite precoated SiC substrates. Sintering of coated samples and characterization for weight gain/loss, microstructure, scratch test prove that mullite + BSAS coating is more effective than single layer coating of BSAS on SiC substrates. 相似文献
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10.
Zhongchao Fu Xiaodong Li Mu Zhang Qi Zhu Ji-Guang Li Jiao He Xing'an Wang Xudong Sun 《Journal of the American Ceramic Society》2021,104(6):2689-2701
An easy albeit quite effective deionization suspension treatment was adopted to alleviate the detrimental effects related to the hydrolysis of Y2O3 in an aqueous medium. Fabrication of highly transparent Y2O3 ceramics with a fine grain size via air pre-sintering and post–hot isostatic pressing (HIP) treatment without using any sintering additive was achieved using the treated suspensions. The hydrolysis issue of Y2O3 powder in an aqueous medium was effectively alleviated by using deionization treatment, and a well-dispersed suspension with a low concentration of dissolved Y3+ species was obtained. The dispersed suspensions were consolidated by the centrifugal casting method, and the green bodies derived from the suspension of 35.0 vol% solid loading showed an improved homogeneity with a relative density of 52.1%. Fully dense Y2O3 transparent ceramic with high transparency was obtained by pre-sintering consolidated green compacts at a low temperature of 1400°C for 16 h in air followed by a post-HIP treatment at 1550°C for 2 h under 200 MPa pressure. The sample had a fine average grain size of 690 nm. The in-line transmittance of the sample reached 83.3% and 81.8% at 1100 nm and 800 nm, respectively, very close to the theoretical values of Y2O3. 相似文献