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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
2.
Patil Rupesh C. Jagdale Ashutosh A. Patil Uttam P. Ghodake Jeevan S. Mali Sawanta S. Hong Chang K. Patil Suresh S. 《Catalysis Letters》2021,151(12):3617-3631
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... 相似文献
3.
Kun Yang Yachun Wang Penghui Lei Tiankai Yao Dong Zhao Jie Lian 《Journal of the European Ceramic Society》2021,41(12):6018-6028
Chemical durability of lanthanide zirconates (A2Zr2O7) (A = La-Yb) under near-field environments is important for evaluating their application as potential nuclear waste forms. In this work, A2Zr2O7 (A = La-Yb) are synthesized by spark plasma sintering with controlled microstructure and their chemical durability are evaluated in a nitric acid solution (pH = 1). Scanning transmission electron microscopy analysis reveals an amorphous passivation film either enriched with Zr or lanthanide. The complex chemistry of the passivation films can be correlated with a transition in corrosion mechanisms from a preferential release of lanthanide in La2Zr2O7 to a preferential release of Zr in Er2Zr2O7 and Yb2Zr2O7. These results suggest a dominant mechanism of incongruent dissolution and surface reorganization for the formation of passivation films. Strong correlations are identified between the leaching rates and cation ionic size, ionic potential, electronegativity differences between A-site cation and Zr, and bonding valence sum of oxygen, suggesting important impacts of structural and bonding characteristics in controlling chemical durability of lanthanide zirconates. 相似文献
4.
Wireless Networks - In such mobile platforms as ships and aircraft, the detection and reconnaissance devices are near to the communication facilities. When working at the same time, they will... 相似文献
5.
Yuria Jang Hong Moon Sohn Young Jong Ko Hoon Hyun Wonbong Lim 《International journal of molecular sciences》2021,22(1)
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. 相似文献
6.
Hao Chen Jie Xing Jingwen Xi Tao Pu Hong Liu Jianguo Zhu 《Journal of the American Ceramic Society》2021,104(12):6266-6276
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 (Tc > 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 (Ea) 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, Tc =295°C). The higher the CTP, the lower the Ea. The lower Ea favors the rotation of polarization direction and extension, and is beneficial to the generation of the nanometer-size domains, resulting in high piezoelectric properties. 相似文献
7.
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. 相似文献
8.
光动力疗法(PDT)以其超高时空分辨率、非侵入性及低毒副作用的优点,被认为是治疗癌症和各种非恶性疾病的有效疗法之一。本文主要综述了几类光敏剂发展历史、主要结构、特点及研究进展,分析了高性能光敏剂的开发动态,包括化学修饰;与具有特定细胞受体的其他配体缀合成复合光敏剂;采取纳米技术,如纳米颗粒输送,基于富勒烯的光敏剂等。基于此,指出具有临床应用前景的高性能光敏剂的基本特征、设计原则及发展趋势。 相似文献
9.
Bin Feng Xin Jiang Guisheng Zou Wengan Wang Tianming Sun Heng Yang Guanlei Zhao Mingye Dong Yu Xiao Hongwei Zhu Lei Liu 《Advanced functional materials》2021,31(29):2102359
The realization of liquid metal-based wearable systems will be a milestone toward high-performance, integrated electronic skin. However, despite the revolutionary progress achieved in many other components of electronic skin, liquid metal-based flexible sensors still suffer from poor sensitivity due to the insufficient resistance change of liquid metal to deformation. Herein, a nacre-inspired architecture composed of a biphasic pattern (liquid metal with Cr/Cu underlayer) as “bricks” and strain-sensitive Ag film as “mortar” is developed, which breaks the long-standing sensitivity bottleneck of liquid metal-based electronic skin. With 2 orders of magnitude of sensitivity amplification while maintaining wide (>85%) working range, for the first time, liquid metal-based strain sensors rival the state-of-art counterparts. This liquid metal composite features spatially regulated cracking behavior. On the one hand, hard Cr cells locally modulate the strain distribution, which avoids premature cut-through cracks and prolongs the defect propagation in the adjacent Ag film. On the other hand, the separated liquid metal cells prevent unfavorable continuous liquid-metal paths and create crack-free regions during strain. Demonstrated in diverse scenarios, the proposed design concept may spark more applications of ultrasensitive liquid metal-based electronic skins, and reveals a pathway for sensor development via crack engineering. 相似文献
10.
Ningyu Chen Jintang Zhou Zhengjun Yao Yiming Lei Ruiyang Tan Yuxin Zuo Wenjian Zheng Zibao Jiao 《Ceramics International》2021,47(8):10545-10554
The electromagnetic materials are featured by good magnetic permeability and dielectric constant characteristics, which are of significant importance in solving the pollution problem of electromagnetic. In this study, after the complete of the use of sol-gel method, argon gas was then introduced for calcination, and eventually a new type of MWCNTs/Ni0.5Zn0.5Nd0.04Fe1.96O4 composites was synthesized after the above mentioned procedures. The synthesized MWCNTs were able to be adsorbed on the surface of Ni0.5Zn0.5Nd0.04Fe1.96O4 and could form a good conductive work of 3D. Also, the effect of additional MWCNTs on microwave absorption properties of MWCNTs/Ni0.5Zn0.5Nd0.04Fe1.96O4 composites were also observed in this study. The results indicate that the additional MWCNTs function to significantly improve the microwave absorption property of MWCNTs/Ni0.5Zn0.5Nd0.04Fe1.96O4. Through altering the amount of MWCNTs, the microwave attenuation performance and impedance matching coefficient of this electromagnetic materials can be effectively improved. The S2 sample presented a minimum reflection loss of ?35.05 dB when its thickness reached 1.6 mm, meanwhile, the effective absorption bandwidth achieved 4.55 GHz. The prepared composites perform well in microwave absorption, which can attribute to the reasonable ratio of composites as well as its interaction with both of the magnetic and dielectric components. This research paved the way for novel ideas to be put in the electromagnetic absorption materials with high-efficient. 相似文献