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81.
Steffen Vojacek Lukas Schulig Nathalie Wössner Norman Geist Prof. Dr. Walter Langel Prof. Dr. Manfred Jung Prof. Dr. Dennis Schade Prof. Dr. Andreas Link 《ChemMedChem》2019,14(8):853-864
Indoles are privileged structures in medicinal and bioorganic chemistry that are particularly well suited to serve as platforms for diversity. Among many other therapeutic areas, the indole scaffold has been used to design aromatic compounds useful to interfere with enzymes engaged in the regulation of substrate acylation status, such as sirtuins. However, the planarity of the indole ring is not necessarily optimal for all target enzymes, especially when functionalization with aromatic side chains is required. Replacement of flat scaffolds by nonplanar molecular cores dominated by sp3 hybridization is a common strategy to avoid the disadvantages associated with poor solubility and high promiscuity, while covering less-well-explored areas of chemical space. Thus, we synthesized fragment-like tetrahydroindoles suitable for fragment-based drug discovery as well as a well-characterized small library intended as multipurpose screening compounds. For proof of principle, these compounds were screened against sirtuins 1–3, enzymes known to be addressable by indoles. We found that 2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-3-carboxamides are potent and selective SIRT2 inhibitors. Compound 16 t displayed an IC50 value of 0.98 μm and could serve as exquisite starting point for hit-to-lead profiling. 相似文献
82.
介绍了一款汽车雨挡导流片异型塑件两板注射模的结构设计,该模具基于采用常规的滑块抽芯机构及斜顶机构难以实现塑件完全脱模的机构设计困难问题,突破常规设计思路,设计了一种型芯浮顶式侧抽芯机构来实现塑件的自动化注射生产。机构中,在模具开模打开后,通过顶出板及顶杆将塑件和部分成型一同顶出,而后再通过侧边二次顶出机构将塑件从局部型芯上顶出而实现塑件的完全脱模,有效地简化了模具结构设计,降低了模具的加工制造难度,降低了模具的制造成本,模具结构复杂新颖,工作稳定可靠,为异型类塑件的模具结构及机构设计创新设计提供了一个较好的案例借鉴。 相似文献
83.
前期杂交优化后赤芝菌种经液体深层发酵后,提取灵芝菌丝体多糖,并过DEAE-Sepharose Fast Flow柱分离纯化,利用高效体积排阻色谱(HPSEC)检测多糖级分的纯度,采用完全酸水解PMP柱前衍生化RP—HPLC测定多糖级分的单糖组成,多角度光散射仪联用装置(SEC—MALLS)测定其绝对重均分子量(Mw),并且根据分子旋转半径与分子摩尔数的关系曲线斜率初步推断其空间构象。结果显示:分离纯化得到3个多糖级分GLMP1、GLMP2和GLMP3,HPSEC检测其峰面积百分比分别为93.58%,97.64%,99.19%,单糖组成分析结果表明GLMP1、GLMP2和GLMP3均含有甘露糖、鼠李糖、半乳糖醛酸、葡萄糖、半乳糖、木糖、阿拉伯糖和岩藻糖,但单糖摩尔比各异。SEC—MALLS测试GLMP1、GLMP2和GLMP3的Mw分别为4.526×105,4.603×104,3.760×103 g/mol,3个多糖级分构象可能均为高度紧缩且具有分支结构的聚合物。 相似文献
84.
To improve the electrochemical properties of rare-earth–Mg–Ni-based hydrogen storage alloys, the effects of stoichiometry and Cu-substitution on the phase structure and thermodynamic properties of the ... 相似文献
85.
《Ceramics International》2020,46(17):26895-26902
The structural, optical, and magnetic properties of polycrystalline Nd1-xAxMn0.5Co0.5O3−δ (A = Ba, Sr and Ca; x = 0 and 0.25) perovskite oxides were investigated. The powder XRD pattern demonstrates that the unit cell volume decreases with the changing A-site dopant type. The estimated bandgap energy (Eg) from UV–vis spectroscopic for NdMn0.5Co0.5O3−δ, Nd0.75Ba0.25Mn0.5Co0.5O3−δ, Nd0.75Sr0.25Mn0.5Co0.5O3−δ and Nd0.75Ca0.25Mn0.5Co0.5O3−δ are 3.27, 3.82, 3.79 and 3.53 eV respectively. The substitution of divalent element alters the absorption spectrum, while the redshift optical transition was observed with an increasing ionic radius of dopant. Temperature-dependent magnetization exposes that the Curie temperature (TC) gradually decreases with the decreasing size of alkaline earth metals, and glassy nature was observed at a lower applied magnetic field. The observation of TC can be well explained by the considering of the cationic size disorder parameter in A-site than the random distribution of B-site ions. 相似文献
86.
基于传统AI-EBG结构,提出了一种小尺寸的增强型电磁带隙结构,实现了从0.5~9.4 GHz的宽频带-40 dB噪声抑制深度,且下截止频率减少到数百MHz,可有效抑制多层PCB板间地弹噪声。文中同时研究了EBG结构在高速电路应用时的信号完整性问题,使用差分信号方案可改善信号完整性。 相似文献
87.
Hao Li Pengcheng Zhang Shengquan Yu Hongyu Yang Bin Tang Fuhai Li Shuren Zhang 《Ceramics International》2019,45(9):11639-11647
Mg2(Ti1-xSnx)O4 (x?=?0–1) ceramics were prepared through conventional solid-state method. This paper focused on the dependence of microwave dielectric properties on crystal structural characteristics via crystal structure refinement, Raman spectra study and complex chemical bond theory. XRD spectrums delineated the phase information of a spinel structure, and structural characteristic of these compositions were achieved with the help of Rietveld refinements. Raman spectrums were used to depict the correlations between vibrational phonon modes and dielectric properties. The variation of permittivity is ascribed to the Mg2(Ti1-xSnx)O4 average bond covalency. The relationship among the B-site octahedral bond energy, tetrahedral bond energy and temperature coefficient are discussed by defining on the change rate of bond energy and the contribution rate of octahedral bond energy. The quality factor is affected by systematic total lattice energy, and the research of XPS patterns illustrated that oxygen vacancies can be effectively restrained in rich oxygen sintering process. Obviously, the microwave dielectric properties of Mg2(Ti1-xSnx)O4 compounds were obtained (= 12.18, ?=?170,130?GHz, ?=??53.1?ppm/°C, x?=?0.2). 相似文献
88.
Adele Boccuto Filippo Dragoni Francesca Picarazzi Alessia Lai Carla Della Ventura Carla Veo Federica Giammarino Francesco Saladini Gianguglielmo Zehender Maurizio Zazzi Mattia Mori Ilaria Vicenti 《International journal of molecular sciences》2021,22(5)
The nucleotide analog sofosbuvir, licensed for the treatment of hepatitis C, recently revealed activity against the Zika virus (ZIKV) in vitro and in animal models. However, the ZIKV genetic barrier to sofosbuvir has not yet been characterized. In this study, in vitro selection experiments were performed in infected human hepatoma cell lines. Increasing drug pressure significantly delayed viral breakthrough (p = 0.029). A double mutant in the NS5 gene (V360L/V607I) emerged in 3 independent experiments at 40–80 µM sofosbuvir resulting in a 3.9 ± 0.9-fold half- maximal inhibitory concentration (IC50) shift with respect to the wild type (WT) virus. A triple mutant (C269Y/V360L/V607I), detected in one experiment at 80 µM, conferred a 6.8-fold IC50 shift with respect to the WT. Molecular dynamics simulations confirmed that the double mutant V360L/V607I impacts the binding mode of sofosbuvir, supporting its role in sofosbuvir resistance. Due to the distance from the catalytic site and to the lack of reliable structural data, the contribution of C269Y was not investigated in silico. By a combination of sequence analysis, phenotypic susceptibility testing, and molecular modeling, we characterized a double ZIKV NS5 mutant with decreased sofosbuvir susceptibility. These data add important information to the profile of sofosbuvir as a possible lead for anti-ZIKV drug development. 相似文献
89.
90.
采用分子动力学方法研究纳米尺度下液氩在过热基板上的沸腾过程。通过调节固液间相互作用的方式改变壁面润湿性,模拟并分析了壁面润湿性对沸腾过程中能量传递和液体运动情况的影响。结果表明:不同润湿性表面均会发生固液分离的现象,但是固体表面附近吸附的氩原子数密度随润湿性增强而增大;润湿性较强时,液体的能量上升快,热通量高,液体内部温度梯度大,发生固液分离时间早,系统中氩的温度和能量低,上升过程中液氩密度、厚度变化小;润湿性较弱时,液体的能量上升慢,热通量小,液体内部温度梯度小,发生固液分离时间延后,系统中氩的温度、能量更高,上升过程中液氩密度、厚度变化较大。下部气体压力整体上大于上部气体压力,发生固液分离时润湿性越强的表面上液体上下压差越大,首次上升过程能达到的高度越高,所需时间越短。 相似文献