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1.
《Arabian Journal of Chemistry》2022,15(1):103492
Matrix metalloproteinases (MMPs) are a large family of zinc-dependent endoproteases known to exert multiple regulatory roles in tumor progression. A variety of chemical classes have been explored for targeting individual MMP isoforms. In the present study, we further developed our isatin based scaffold BB0223107 capable of binding to and inactivating MMP-2 in a zinc-independent manner (Agamennone et al., 2016). Forty four new compounds were synthesized based on the modified BB0223107. All compounds were tested in enzyme inhibition assays against MMP-2, ?8 and ?13. SAR studies demonstrated that 5-het(aryl)-3-aminoindolin-2-ones (37–39) were active toward MMP-2 and MMP-13. The most potent compounds 33 and 37 displayed an IC50 of 3 µM against MMP-13 and showed a negligible activity toward MMP-8; almost all new compounds were inactive toward MMP-8. Replacement of the isatin ring with a biaryl system (compound 33) did not decrease the potency against MMP-13 but reduced the selectivity. Structure-based computational studies were carried out to rationalize the inhibitory activity data. The analysis of binding geometries confirmed that all fragments occupied the S1′ site in the three enzymes while no ligand was able to bind the catalytic zinc ion. To the best of our knowledge, this is the first example of 3-aminoindolin-2-one-based MMP inhibitors that, based on the computer modeling study, do not coordinate the zinc ion. Thus, the het(aryl)-3-aminoindolin-2-one derivatives emerge as a drug-like and promising chemotype that, along with the hetaryl variations, represents an alternative and thrifty tool for chemical space exploration aimed at MMP inhibitor design. 相似文献
2.
M. Amar D. Andreucci R. Gianni C. Timofte 《Journal of Mathematical Analysis and Applications》2021,493(2):124533
We prove a well-posedness result for two pseudo-parabolic problems, which can be seen as two models for the same electrical conduction phenomenon in heterogeneous media, neglecting the magnetic field. One of the problems is the concentration limit of the other one, when the thickness of the dielectric inclusions goes to zero. The concentrated problem involves a transmission condition through interfaces, which is mediated by a suitable Laplace-Beltrami type equation. 相似文献
3.
在分析非洲基础设施建设现状和特点的基础上,通过亚吉铁路建设的案例研究,探讨了中非经贸合作下非洲基础设施建设的成功效应和存在的主要问题,得出中国标准缺乏国际认可、中非双方存在文化冲突、对非“全产业链”与投融资需要强化和产业结构相似的结论。同时,对未来中非经贸合作下非洲基础设施建设的发展从消除文化差异、提高合作层次、加强投融资、改进中国标准、明确合作区发展定位、后疫情时代加快构建更紧密的中非命运共同体和加强产能合作并发挥产能优势等角度提出可行性建议。 相似文献
4.
Bifurcation analysis of visual angle model with anticipated time and stabilizing driving behavior
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Xueyi Guan 《中国物理 B》2022,31(7):70507-070507
In the light of the visual angle model (VAM), an improved car-following model considering driver's visual angle, anticipated time and stabilizing driving behavior is proposed so as to investigate how the driver's behavior factors affect the stability of the traffic flow. Based on the model, linear stability analysis is performed together with bifurcation analysis, whose corresponding stability condition is highly fit to the results of the linear analysis. Furthermore, the time-dependent Ginzburg-Landau (TDGL) equation and the modified Korteweg-de Vries (mKdV) equation are derived by nonlinear analysis, and we obtain the relationship of the two equations through the comparison. Finally, parameter calibration and numerical simulation are conducted to verify the validity of the theoretical analysis, whose results are highly consistent with the theoretical analysis. 相似文献
5.
Chemical bonding in representative astrophysically relevant neutral,cation, and anion HCnH chains
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Ioan Baldea 《中国物理 B》2022,31(12):123101-123101
Most existing studies assign a polyynic and cumulenic character of chemical bonding in carbon-based chains relying on values of the bond lengths. Building on our recent work, in this paper we add further evidence on the limitations of such an analysis and demonstrate the significant insight gained via natural bond analysis. Presently reported results include atomic charges, natural bond order and valence indices obtained from ab initio computations for representative members of the astrophysically relevant neutral and charged HC2k/2k+1H chain family. They unravel a series of counter-intuitive aspects and/or help naive intuition in properly understanding microscopic processes, e.g., electron removal from or electron attachment to a neutral chain. Demonstrating that the Wiberg indices adequately quantify the chemical bonding structure of the HC2k/2k+1H chains—while the often heavily advertised Mayer indices do not—represents an important message conveyed by the present study. 相似文献
6.
通过对523名高职学生进行实地调研,探析“学习参与度”对学生创新创业核心素养的影响机制。结果显示:课程建设、教师引导、资源支持对学习心理参与度影响显著;教师引导、资源支持、社会实践对学习行为参与度影响显著。学习参与度显著影响创业意识、创新精神、创业能力。提出优化对策:重视学生创新创业核心素养的培养;提高学生创新创业学习参与度;人际互动提升学习心理参与度;协同培育提高学习行为参与度。 相似文献
7.
8.
Pattern transition and regulation in a subthalamopallidal network under electromagnetic effect
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Although the significant roles of magnetic induction and electromagnetic radiation in the neural system have been widely studied, their influence on Parkinson's disease (PD) has yet to be well explored. By virtue of the magnetic flux variable, this paper studies the transition of firing patterns induced by magnetic induction and the regulation effect of external magnetic radiation on the firing activities of the subthalamopallidal network in basal ganglia. We find: (i) The network reproduces five typical waveforms corresponding to the severity of symptoms: weak cluster, episodic, continuous cluster, episodic, and continuous wave. (ii) Magnetic induction is a double-edged sword for the treatment of PD. Although the increase of magnetic coefficient may lead the physiological firing activity to transfer to pathological firing activity, it also can regulate the pathological intensity firing activity with excessive β-band power transferring to the physiological firing pattern with weak β-band power. (iii) External magnetic radiation could inhibit continuous tremulous firing and β-band power of subthalamic nucleus (STN), which means the severity of symptoms weakened. Especially, the bi-parameter plane of the regulation region shows that a short pulse period of magnetic radiation and a medium level of pulse percentage can well regulate pathological oscillation. This work helps to understand the firing activity of the subthalamopallidal network under electromagnetic effect. It may also provide insights into the mechanisms behind the electromagnetic therapy of PD-related firing activity. 相似文献
9.
10.
王其伟 《西南石油大学学报(自然科学版)》2020,42(1):78-83
气井生产时,井底积液会影响气井产量,甚至导致气井停产。加入泡沫剂、更换小直径油管或氮气举升等措施排出井底积液是保证气井生产的重要手段,但造成液体回流的井筒结构并没有变化。改变适合于单相流体的均一井筒结构,降低气液两相流中液体在井筒的回流,提高气体携液能力,形成适用于气液两相流的井筒结构,可以改善气井生产。实验设计了安装于管筒内的类似于倒置漏斗形的多级孔板装置,以井底气体为动能,借助“爬楼梯”原理,利用孔板减少或阻止液体回流,使液体通过多级孔板逐级上升;实验利用气体压缩机提供气源,测试了不同气体流速下,加入孔板对于气体和泡沫携液能力的影响。实验表明,在管筒内加入液体回流限制装置,大幅度地提高了管筒的气体携液能力和排液效果,减少了管筒液体回流量,降低了气体排液和泡沫排液的气体流速临界值。多级孔板可用于气井增产,能够提高气体携液能力,提高泡沫携液效果,降低泡沫剂的使用量和井底残液,但在实际生产中气体流量和装置的匹配性,还有待于在现场试验中进一步验证和优化。 相似文献