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101.
Zhipei Gao Yongli Du Xiehuang Sheng Jingkang Shen 《International journal of molecular sciences》2021,22(7)
Estrogen-related receptor α (ERRα), which is overexpressed in a variety of cancers has been considered as an effective target for anticancer therapy. ERRα inverse agonists have been proven to effectively inhibit the migration and invasion of cancer cells. As few crystalline complexes have been reported, molecular dynamics (MD) simulations were carried out in this study to deepen the understanding of the interaction mechanism between inverse agonists and ERRα. The binding free energy was analyzed by the MM-GBSA method. The results show that the total binding free energy was positively correlated with the biological activity of an inverse agonist. The interaction of the inverse agonist with the hydrophobic interlayer composed of Phe328 and Phe495 had an important impact on the biological activity of inverse agonists, which was confirmed by the decomposition of energy on residues. As Glu331 flipped and formed a hydrogen bond with Arg372 in the MD simulation process, the formation of hydrogen bond interaction with Glu331 was not a necessary condition for the compound to act as an inverse agonist. These rules provide guidance for the design of new inverse agonists. 相似文献
102.
In this work, a ternary blend of polyolefin elastomer (POE), lauric acid (LA), and poly(ε-caprolactone) (PCL) with triple-shape memory effect (triple-SME) is reported. LA and PCL exhibit distinct thermal transitions and construct two reversible switching networks capable of fixing and releasing different temporary shapes under a mild condition. The ternary blend shows excellent triple-shape memory properties and good toughness. Besides, the permanent shape can be reconfigured by a simple thermal treatment. These particular features make the novel blend a competitive candidate for diverse applications. And the creative combination of crystalline small molecule and semicrystalline polymer expands the freedom for producing triple-shape memory polymers (triple-SMPs). 相似文献
103.
104.
Dongmei Hu Jin Du Guosheng Su Zhenyun Lu Chongyan Zhang Xiangmin Kong Chonghai Xu 《International Journal of Applied Ceramic Technology》2021,18(4):1222-1234
The hardness and toughness of regenerated cemented carbides, in general, are contradictory. Therefore, it is critical to explore regenerated cemented carbides with both high hardness and high toughness. In this study, regenerated WC-8-wt% Co cemented carbide with SiC nanowhisker were prepared by low-pressure sintering. The influence of SiCw contents on the microstructure and mechanical properties of regenerated WC-8-wt% Co cemented carbide was investigated. The results indicated that the hardness, density, flexural strength, and fracture toughness of regenerated cemented carbide first increased and then decreased with the addition of SiCw. The Vickers hardness, density, flexural strength, and fracture toughness could reach 1575 HV, 14.6 g/cm3, 2204 MPa, 16.85 MPa·m1/2, respectively, with SiCw content 0.5 wt%, which were increased by 14.4%, 0.7%, 12.2%, and 17.3%, respectively, when compared with the regenerated cemented carbide without SiCw. The lowest friction coefficient and the best wear resistance could be also reached when 0.5-wt% SiCw was added. The fracture mechanism of the regenerated cemented carbide contained both transgranular and intergranular fracture through the microscopic observation of fracture surface via scanning electron microscope. 相似文献
105.
106.
对MTG区熔生长法,慢冷法,粉末熔融生长法这3种方法制备的熔融织构YBCO块样品进行了交流磁化率和磁阻的测量。根据实验结果计算了样品的钉扎势,并且发现3种方法制备的样品在150 mT外磁场下均显示出基本消除弱连接的特性;粉末融熔生长法所制样品中有较纯净123相和较好织构,质量最好。 相似文献
107.
The strategy to perform nanoscale studies of the initial stages of oxidation of TiAl involved first gaining some information on the electronic structure of pure TiO2 surfaces and then on TiAl surfaces before and after oxidation both in low- and high-oxygen potentials. Both materials were studied in atomically-cleaned states generated by repeated sputtering and heating. It was found that the oxygen vacancies created additional defect states in the band gap of stoichiometric TiO2. The results obtained on TiO2 were used as fingerprints to study the oxide nucleation. The results on the initial stages of oxidation of TiAl confirm the nucleation of Ti2O3 islands of nanometer size and monolayer height in a low-oxygen-pressure environment, whilst a TiO2 layer developed in an atmospheric environment. The ledges on atomically-cleaned surfaces usually acted as nucleation sites. 相似文献
108.
Q.H. Zhang R. Du J.H. Zhang Q.B. Zhang 《International Journal of Machine Tools and Manufacture》2006,46(12-13):1582-1588
This study focuses on using ultrasonic to improve the efficiency in electrical discharge machining (EDM) in gas medium. The new method is referred to as ultrasonic-assisted electrical discharge machining (UEDM). In the process of UEDM in gas, the tool electrode is a thin-walled pipe, the high-pressure gas medium is applied from inside, and the ultrasonic actuation is applied onto the workpiece. In our experiment, the workpiece material is AISI 1045 steel and the electrode material is copper. The experiment results indicate that (a) the Material Removal Rate (MRR) is increased with respect to the increase of the open voltage, the pulse duration, the amplitude of ultrasonic actuation, the discharge current, and the decrease of the wall thickness of electrode pipe; and (b) the surface roughness is increased with respect to the increase of the open voltage, the pulse duration, and the discharge current. Based on experimental results, a theoretical model to estimate the MRR and the surface roughness is developed. 相似文献
109.
CdZnTeCrystalGrowthbyVerticalGradientFreezingMethodHouQingrun;WangJinyi;DengJincheng;DuBing,(侯清润)(王金义)(邓金诚)(杜冰);LiMeirongandC... 相似文献
110.
竹/玻璃钢复合建筑材料是一种新型三维复合材料.本文对其进行了结构设计的研究,并通过大量试验对其力学性能进行了分析,结果证明竹/玻璃钢复合建筑材料确实是一种重量轻、性能好、工艺简单、价格便宜的材料,具有广阔的应用前景. 相似文献