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41.
Dr. Jie Zang Dr. Fei Ye Dr. Sara M. Ø. Solbak Dr. Lars J. Høj Prof. Mingjie Zhang Prof. Anders Bach 《ChemMedChem》2021,16(6):949-954
Inhibition of PSD-95 has emerged as a promising strategy for the treatment of ischemic stroke, as shown with peptide-based compounds that target the PDZ domains of PSD-95. In contrast, developing potent and drug-like small molecules against the PSD-95 PDZ domains has so far been unsuccessful. Here, we explore the druggability of the PSD-95 PDZ1-2 domain and use fragment screening to investigate if this protein is prone to binding small molecules. We screened 2500 fragments by fluorescence polarization (FP) and validated the hits by surface plasmon resonance (SPR), including an inhibition counter-test, and found four promising fragments. Three ligand efficient fragments were shown by 1H,15N HSQC NMR to bind in the small hydrophobic P0 pockets of PDZ1-2, and one of them underwent structure-activity relationship (SAR) studies. Overall, we demonstrate that fragment screening can successfully be applied to PDZ1-2 of PSD-95 and disclose novel fragments that can serve as starting points for optimization towards small-molecule PDZ domain inhibitors. 相似文献
42.
饮用水中微生物与人类健康息息相关.16S rRNA基因序列具有的普遍性及保守性,被越来越多地应用于饮用水水质全流程微生物多样性及群落结构研究.文中简要介绍了16S rRNA基因测序技术的发展历程,并基于16S rRNA基因测序技术在饮用水中的研究成果,探讨了全流程水环境条件与水中微生物多样性的相互关系.结果表明,水源水质、水处理工艺、供水管网条件均导致末梢水中的生物多样性差异,其中,水源水质与末梢水微生物种群结构密切相关,水处理工艺和供水管网特性对末梢水中微生物种群丰度影响较大.研究结果为高品质饮用水生物安全保障提供了新思路. 相似文献
43.
Nianxiu Duan Junjun Li Sha Song Feng Wang Yiwei Yang Di Nie Caifen Wang Yingjie Sheng Yali Tao Jie Gao Can Xu Yan Wei Yong Gan 《Advanced functional materials》2021,31(46):2100605
Tumor-specific enhanced delivery of chemotherapeutics and modulators to tumor cells and activated pancreatic stellate cells (aPSCs), respectively, represents safer and more effective therapy for pancreatic cancer. Herein, a membrane type 1-matrix metalloproteinase (MT1-MMP)-cleavable spacer is used to assemble low-density cRGDfK onto thermosensitive liposomes loaded with phosphorylated calcipotriol (PCAL) and doxorubicin (DOX), yielding MR-T-PD. The liposome-linked cRGDfK prodrug on MR-T-PD surface is first activated by MT1-MMP, which is selectively expressed on tumor endothelial cells, to release cRGDfK. The free cRGDfK specifically promotes tumor angiogenesis, leading to 3.4-fold higher accumulation and a wider distribution of MR-T-PD in tumors. Furthermore, MR-T-PD rapidly releases PCAL and DOX into the interstitium under heat treatment. The released DOX enters tumor cells to induce apoptosis, whereas the PCAL prodrug is converted to CAL by alkaline phosphatase on the surface of aPSCs; CAL can then enter aPSCs to induce quiescence and promote the antitumor effect of DOX. Finally, by enhancing the exposure of DOX and CAL to tumor cells and aPSCs, respectively, in a tumor-specific manner, MR-T-PD exerts superior efficacy (a 5.9-fold decrease in tumor weight) without causing additional side effects. Overall, this prodrug-based smart liposome system represents a promising paradigm for pancreatic cancer therapy. 相似文献
44.
某电力公司变电站用铝合金设备线夹在运行过程发生批次开裂事故,通过宏观观察、断口分析、化学成分分析、力学性能测试、冷冻模拟试验等方法,对设备线夹的开裂原因和开裂机理进行了分析。结果表明:设备线夹焊缝存在焊接缺陷,导致焊缝强度下降;设备线夹接线管底部存在积水空间,寒冷天气下积水结冰,体积膨胀,使焊缝承受设计工况外的负载而过载开裂,造成了线夹开裂。 相似文献
45.
Borazine rings act as a pivotal part in siliconboroncarbonitride ceramics (SiBCN) for high-temperature stability and great resistance to crystallization. A detailed investigation of the ring formation mechanism will guide the design and synthesis of SiBCN to meet application requirements under extreme conditions. Boron trichloride (BCl3) and hexamethyldisilazane (HN(SiMe3)2) are common raw materials for the synthesis of precursors for SiBCN. In this paper, quantum chemical calculation was used to study the cyclization reaction mechanism between BCl3 and HN(SiMe3)2 to form trichloroborazine (TCBZ) at the MP2/6-31G (d,p) level of theory. We discussed the structure properties, reaction pathways, energy barriers, reaction rates, and other aspects in detail. The results show that BCl3 and HN(SiMe3)2 alternately participate in the reaction process, accompanied by the release of trimethylchlorosilane (TMCS), and that the entire reaction shows an absolute advantage in terms of energy. In the Step by step reaction, lower reaction barriers are formed due to the introduction of BCl3 with more heat released compared to that for the introduction of HN(SiMe3)2. The final single-molecule cyclization and TMCS elimination steps are found to be faster compared to all previous bimolecular reactions. 相似文献
46.
盘扣式支撑架具有承载力强、方便安全、结实耐用等优点,被广泛应用于地铁施工。本文以广州市轨道交通十八号线万顷沙车辆段为例,对承插型盘扣式支撑架在地铁车辆段工程中的具体应用进行了详细说明,以期为同类工程提供参考。 相似文献
47.
通过对AAOA-MBR工艺在实际工程中的应用,分析该工艺处理城市污水的节能减排效能。实践表明AAOA-MBR工艺具有很强的抗冲击负荷能力,在进水质水量大幅度波动、且碳源匮乏的情况下,仍能取得良好的处理效果。实际工程运行四年来,厂区出水各项指标均稳定优于城镇污水处理厂污染物排放标准(GB 18918-2002)中的一级A标准,其中COD、BOD5、SS、NH3-N去除率分别达到可分别达到90.14%、98.25%、95.58%和98.2%;通过对运行期间污水处理量与耗电量相关关系进行回归分析可知,当处理水量达到设计规模时,其吨水耗电量预测为0.31kWh/m3。同时,基于对污水处理系统的沿程水质检测,优化进水水量分配和内循环回流比并进行产水泵联动改造,可进一步提高系统节能减排效果。 相似文献
48.
The mechanical properties of complex concentrated alloys (CCAs) depend on their formed phases and corresponding microstructures.The data-driven prediction of the phase formation and associated mechanical properties is essential to discovering novel CCAs.The present work collects 557 samples of various chemical compositions,comprising 61 amorphous,167 single-phase crystalline,and 329 multi-phases crystalline CCAs.Three classification models are developed with high accuracies to category and understand the formed phases of CCAs.Also,two regression models are constructed to predict the hard-ness and ultimate tensile strength of CCAs,and the correlation coefficient of the random forest regression model is greater than 0.9 for both of two targeted properties.Furthermore,the Shapley additive expla-nation (SHAP) values are calculated,and accordingly four most important features are identified.A significant finding in the SHAP values is that there exists a critical value in each of the top four fea-tures,which provides an easy and fast assessment in the design of improved mechanical properties of CCAs.The present work demonstrates the great potential of machine learning in the design of advanced CCAs. 相似文献
49.
Yixuan ZHOU Huajie WANG Yi YU Yihang CHEN Rui KE Min XU Chijie XIAO Zhanhui WANG Jiquan LI Xuru DUAN Minyou YE 《等离子体科学和技术》2021,23(7):75105-52
In this article, we present the optical design of a novel diagnostic on the HL-2 A tokamak, i.e. the20-channel edge Lyman-alpha beam emission spectroscopy, which is a promising solution for edge density turbulence research on tokamaks, as it offers the possibility of density fluctuation measurement with a 3.3 mm spatial resolution while maintains a high temporal resolution of1 μs. The optical path, including the reflective collection optics, the high-dispersion spectrometer, and the linear detector array, is carefully optimized to obtain a good image quality and a high throughput. The maximum root mean square radius of the collection optics is 64 μm.The detected photon flux is estimated to be about 10~(11) photons/s/channel. 相似文献
50.
气溶胶池洗过滤是反应堆严重事故中去除放射性源项的重要手段。本文以严重事故条件下上升气泡中气溶胶的滞留过程为背景,设计搭建了可视化单气泡鼓泡实验装置。通过该装置研究了气溶胶在上升气泡中的沉降效率,并与MELCOR中的气溶胶沉降模型计算结果进行了对比。结果表明,气溶胶沉降效率对气泡尺寸的变化较为敏感,当气体流量大于0.1 L/min时,气泡等效直径迅速增加,相应的气溶胶沉降效率快速降低;与MELCOR模型计算结果的对比表明,两者在总体趋势上呈现出较好的一致性,但计算结果低估了液相对气溶胶的实际去除能力,导致这种偏差的主要原因是气泡在上升过程中存在无规则的晃动以及气液界面的波动。 相似文献