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排序方式: 共有1942条查询结果,搜索用时 15 毫秒
1.
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
2.
为研究铝合金三角形波纹夹芯板对平头弹体的抗冲击性能及损伤特性,利用有限元软件ABAQUS/Explicit建立弹体冲击靶板的数值模拟模型,并结合实验验证了模型及其参数的有效性。基于数值计算结果,分析了三角形波纹夹芯板几何结构对其防护性能、失效模式和能量吸收的影响规律及机理,并与等面密度单层板进行对比分析,研究结果表明,靶体几何结构对其抗冲击性能存在影响,三角形波纹夹芯板抗冲击性能低于单层板抗冲击性能。此外,增加芯体拓扑结构夹角能显著提高三角形波纹夹芯板的抗冲击性能,并且靶板几何形状会对其失效模式及耗能特性存在影响。 相似文献
3.
Previous studies indicate that the properties of graphene oxide (GO) can be significantly improved by enhancing its graphitic domain size through thermal diffusion and clustering of functional groups. Remarkably, this transition takes place below the decomposition temperature of the functional groups and thus allows fine tuning of graphitic domains without compromising with the functionality of GO. By studying the transformation of GO under mild thermal treatment, we directly observe this size enhancement of graphitic domains from originally ≤40 nm2 to >200 nm2 through an extensive transmission electron microscopy (TEM) study. Additionally, we confirm the integrity of the functional groups during this process by a comprehensive chemical analysis. A closer look into the process confirms the theoretical predicted relevance for the room temperature stability of GO and the development of the composition of functional groups is explained with reaction pathways from theoretical calculations. We further investigate the influence of enlarged graphitic domains on the hydration behaviour of GO and the catalytic performance of single atom catalysts supported by GO. Additionally, we show that the sheet resistance of GO is reduced by several orders of magnitude during the mild thermal annealing process. 相似文献
4.
Dr. Tom Robinson Prof. Dr. Petra S. Dittrich 《Chembiochem : a European journal of chemical biology》2019,20(20):2666-2673
Giant unilamellar vesicles (GUVs) are considered to be the gold standard for assembling artificial cells from the bottom up. In this study, we investigated the behavior of such biomimetic vesicles as they were subjected to mechanical compression. A microfluidic device is presented that comprises a trap to capture GUVs and a microstamp that is deflected downwards to mechanically compress the trapped vesicle. After characterization of the device, we show that single-phase GUVs can be controllably compressed to a high degree of deformation (D=0.40) depending on the pressure applied to the microstamp. A permeation assay was implemented to show that vesicle bursting is prevented by water efflux. Next, we mechanically compressed GUVs with co-existing liquid-ordered and liquid-disordered membrane phases. Upon compression, we observed that the normally stable lipid domains reorganized themselves across the surface and fused into larger domains. This phenomenon, observed here in a model membrane system, not only gives us insights into how the multicomponent membranes of artificial cells behave, but might also have interesting consequences for the role of lipid rafts in biological cells that are subjected to compressive forces in a natural environment. 相似文献
5.
Kevin Heritage Ben Bryant Laura A. Fenner Andrew S. Wills Gabriel Aeppli Yeong‐Ah Soh 《Advanced functional materials》2020,30(36)
First‐order phase transitions, where one phase replaces another by virtue of a simple crossing of free energies, are best known between solids, liquids, and vapors, but they also occur in a wide range of other contexts, including even elemental magnets. The key challenges are to establish whether a phase transition is indeed first order, and then to determine how the new phase emerges because this will determine thermodynamic and electronic properties. Here it is shown that both challenges are met for the spin reorientation transition in the topological metallic ferromagnet Fe3Sn2. The magnetometry and variable temperature magnetic force microscopy experiments reveal that, analogous to the liquid–gas transition in the temperature–pressure plane, this transition is centered on a first‐order line terminating in a critical end point in the field‐temperature plane. The nucleation and growth associated with the transition is directly imaged, indicating that the new phase emerges at the most convoluted magnetic domain walls for the high temperature phase and then moves to self‐organize at the domain centers of the high temperature phase. The dense domain patterns and phase coexistence imply a complex inhomogenous electronic structure, which can yield anomalous contributions to the electrical conductivity. 相似文献
6.
7.
基于以丙酮为工质的三角形截面微通道饱和沸腾传热的实验数据,通过最小二乘法对实验数据进行参数拟合,得到一组新的经验参数,结合Thome提出的预测圆形截面微通道饱和沸腾传热系数的三区模型,对微通道饱和沸腾的传热系数进行了预测。结果表明:该三区模型可以较好地预测出传热系数随着干度的变化趋势,并得到90.04%的实验值和预测值误差在30%之内,吻合度较好。 相似文献
8.
Adhesively bonded joints have been extensively employed in the aeronautical and automotive industries to join thin-layer materials for developing lightweight components. To strengthen the structural integrity of joints, it is critical to estimate and improve joint failure loads effectually. To accomplish the aforementioned purpose, this paper presents a novel deep neural network (DNN) model-enabled approach, and a single lap joint (SLJ) design is used to support research development and validation. The approach is innovative in the following aspects: (i) the DNN model is reinforced with a transfer learning (TL) mechanism to realise an adaptive prediction on a new SLJ design, and the requirement to re-create new training samples and re-train the DNN model from scratch for the design can be alleviated; (ii) a fruit fly optimisation (FFO) algorithm featured with the parallel computing capability is incorporated into the approach to efficiently optimise joint parameters based on joint failure load predictions. Case studies were developed to validate the effectiveness of the approach. Experimental results demonstrate that, with this approach, the number of datasets and the computational time required to re-train the DNN model for a new SLJ design were significantly reduced by 92.00% and 99.57% respectively, and the joint failure load was substantially increased by 9.96%. 相似文献
9.
阐述了三高测量技术的内涵和特点,以珠江水泥厂岩溶探测为例,阐述了三高技术对溶岩探测的应用及效果,经处理直观,形象地反映了岩溶的发育分布情况及形态。 相似文献
10.