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51.
Heterometallic cluster-based framework materials are of interest in terms of both their porous structures and multi-metallic reactivity. However, such materials have not yet been extensively investigated because of difficulties in their synthesis and structural characterization. Herein, we reported the designable synthesis of atomically precise heterometallic cluster-based framework compounds and their application as catalysts in aldol reactions. By using the synergistic coordination protocol, we successfully isolated a broad range of compounds with the general formula, [Al4M4O4(L)12(DABCO)2] (L = carboxylates; DABCO = 1,4-diazabicyclo[2.2.2]-octane; M2+ = Co2+, Mn2+, Zn2+, Fe2+, Cd2+). The basic heterometallic building blocks contain unprecedented main-group γ-alumina moieties and surrounding unsaturated transition metal centers. Interestingly, the porosity and interpenetration of these frameworks can be rationally regulated through the unprecedented strategy of increment of the metal radius in addition to general introduction of sterically bulky groups on the ligand. Furthermore, these porous materials are effective catalysts for aldol reactions. This work provides a catalytic molecular model platform with accurate molecular bonding between the supporters and catalytically active metal ions.

Mesoporous heterometallic architectures are designed by the incorporation of the Al4O4 cubane and interpenetration regulation.  相似文献   
52.
In this paper, by capturing the atomic information and reflecting the behaviour governed by the nonlinear potential function, an analytical molecular mechanics approach is proposed. A constitutive relation for single-walled carbon nanotubes (SWCNT’s) is established to describe the nonlinear stress-strain curve of SWCNT’s and to predict both the elastic properties and breaking strain of SWCNT’s during tensile deformation. An analysis based on the virtual internal bond (VIB) model proposed by P. Zhang et al. is also presented for comparison. The results indicate that the proposed molecular mechanics approach is indeed an acceptable analytical method for analyzing the mechanical behavior of SWCNT’s. The project supported by the National Natural Science Foundation of China (10121202, 90305015 and 10328203), the Key Grant Project of Chinese Ministry of Education (0306) and the Research Grants Council of the Hong Kong Special Administrative Region, China (HKU 7195/04E).  相似文献   
53.
为解决单体热电池生产中出现的安装错误、人工检测耗时耗力的问题,提出一个结合迁移学习和卷积 神 经网络(convolutional neural network,CNN) 的单体热电池缺陷检测模型。首先,对数据集图像进行裁剪、加噪等预处理,以VGG16(visual geometry group 16) 网络作为 模型的骨干架构,在瓶颈层后增添选择性核(selective kernel,SK) 卷积;然后,增添全局平均池化(global average pooling,GAP) 层, 增加Dropout层及添加 L2 正则化等微调操作,得到单体热电池缺陷检测模型Q-VGGNet;最后,在大型公开数据集ImageNet上进 行预训练学习,将获得的权重参数迁移到单体热电池图像识别模型Q-VGGNet上。测试实验表明:6种 网络模型对数据集缺陷图像的总体识别准确率分别达到了98.39%、94.44%、97.27%、96.34%、93.71%、 95.61%,Q-VGGNet网 络模型 对合格图像和 漏装负极、极耳断裂、漏装集流片3种缺陷图像 识别准确率 分别达到了99.6%,95.9%,99.6%和98.4%。检测结果表明:该方法能够更准确、快速地检测热电池缺陷, 拥有良好的缺陷诊断能力,较传统方法提高近3%,为人工检测单体热电池缺陷提供了良好的解决途径。  相似文献   
54.
We systematically measure the superconducting(SC) and mixed state properties of high-quality CsV_3 Sb_5 single crystals with T_c~3.5 K.We find that the upper critical field H_(c2)(T) exhibits a large anisotropic ratio of H_(c2)~(ab)/H_(c2)~c~9 at zero temperature and fitting its temperature dependence requires a minimum two-band effective model.Moreover,the ratio of the lower critical field,H_(c1)~(ab)/H_(c1)~c,is also found to be larger than 1,which indicates that the in-plane energy dispersion is strongly renormalized near Fermi energy.Both H_(c1)(T) and SC diamagnetic signal are found to change little initially below T_c~3.5 K and then to increase abruptly upon cooling to a characteristic temperature of ~2.8 K.Furthermore,we identify a two-fold anisotropy of in-plane angular-dependent magnetoresistance in the mixed state.Interestingly,we find that,below the same characteristic T~2.8 K,the orientation of this two-fold anisotropy displays a peculiar twist by an angle of 60° characteristic of the Kagome geometry.Our results suggest an intriguing superconducting state emerging in the complex environment of Kagome lattice,which,at least,is partially driven by electron-electron correlation.  相似文献   
55.
With the successful demonstration of terahertz (THz) high-speed wireless data transmission,the THz frequencies are now becoming a worth candidate for post-5G wi...  相似文献   
56.
Fatty acids, which are enriched in vegetable oil, have attracted much attention in low-rank coal flotation because of their unique chemical structure. In this study, density functional theory calculations, molecular dynamics simulations, and atomic force microscopy were employed to investigate the adsorption structure and forces between collectors and hydrophilic surfaces. The results show that fatty acids can be easily adsorbed onto surfaces through hydrogen bonds, and can cover the oxygen sites. The existence of hydration film on hydrophilic surfaces prevented nonpolar molecules from being able to adsorb, while polar fatty acids could adsorb and expel water molecules. The adhesion force between the RCOOH-terminated probe and the surface appeared in the retraction process, which differed significantly from that of the RCH3-terminated probe, indicating that polar fatty acids are more suitable as flotation collectors for low-rank coal than nonpolar hydrocarbon oil. The simulation and AFM test revealed the mechanisms of polar fatty acids, and can provide guidance for low-rank coal flotation applications.  相似文献   
57.
The novel pleuromutilin derivative, which showed excellent in vitro antibacterial activity against MRSA, 22-(2-(2-(4-((4-(4-nitrophenyl)piperazin-1-yl)methyl)-1H-1,2,3-triazol-1-yl)acetamido)phenyl)thioacety-l-yl-22-deoxypleuromutilin (Z33), was synthesized and characterized in our previous work. In this study, the preliminary pharmacodynamics and safety of Z33 were further evaluated. In in vitro antibacterial activity assays, Z33 was found to be a potent bactericidal antibiotic against MRSA that induced dose-dependent growth inhibition and long-term post-antibiotic effect (PAE). The drug-resistance test demonstrated that Z33 possessed a narrow mutant selection window and lower propensities to select resistance than that of tiamulin. Cytochrome P450 (CYP450) inhibition assay determined that the inhibitory effect of Z33 was similar to that of tiamulin against the activity of CYP3A4, and was lower than that of tiamulin on the activity of CYP2E1. Toxicity determination showed that both Z33 and tiamulin displayed low cytotoxicity of RAW264.7 cells. Furthermore, Z33 was found to be a high-security compound with a 50% lethal dose (LD50) above 5000 mg/kg in the acute oral toxicity test in mice. In an in vivo antibacterial activity test, Z33 displayed better therapeutic effectiveness than tiamulin in the neutropenic mouse thigh infection model. In summary, Z33 was worthy of further development as a highly effective and safe antibiotic agent against MRSA infection.  相似文献   
58.
Myocardial infarction (MI) is the leading cause of premature death among adults. Cardiomyocyte death and dysfunction of the remaining viable cardiomyocytes are the main pathological factors of heart failure after MI. Mitochondrial complexes are emerging as critical mediators for the regulation of cardiomyocyte function. However, the precise roles of mitochondrial complex subunits in heart failure after MI remain unclear. Here, we show that NADH:ubiquinone oxidoreductase core subunit S1 (Ndufs1) expression is decreased in the hearts of heart failure patients and mice with myocardial infarction. Furthermore, we found that cardiac-specific Ndufs1 overexpression alleviates cardiac dysfunction and myocardial fibrosis in the healing phase of MI. Our results demonstrated that Ndufs1 overexpression alleviates MI/hypoxia-induced ROS production and ROS-related apoptosis. Moreover, upregulation of Ndufs1 expression improved the reduced activity of complex I and impaired mitochondrial respiratory function caused by MI/hypoxia. Given that mitochondrial function and cardiomyocyte apoptosis are closely related to heart failure after MI, the results of this study suggest that targeting Ndufs1 may be a potential therapeutic strategy to improve cardiac function in patients with heart failure.Subject terms: Heart failure, Myocardial infarction, Myocardial infarction  相似文献   
59.
Nanoparticle emitting short‐wave infrared (SWIR) light has received increased attention in the molecular imaging field due to its deeper tissue penetration, fast imaging, high sensitivity, and resolution. The simultaneously activated SWIR excited directly by an 808 nm laser and T1‐weighted magnetic resonance imaging (MRI) signal are found in one single‐shell nanoparticle NaErF4@NaGdF4 (Er@Gd), which is used as a dual‐modality imaging contrast agent in vivo to accurately determine the position of tumors. The conjugated cypate is then aggregated on the surface of Er@Gd@SiO2‐Cy/bovine serum albumin. With the guidance of dual modality imaging, photothermal therapy is effectively used to ablate tumors in a mouse model. The design of single‐shell nanomaterial activation of SWIR imaging and MRI signals is expected to provide a new strategy for high penetration and spatial resolution cancer theranostics.  相似文献   
60.
近些年来随着物联网的快速发展,人们逐渐看到了《网页设计与制作》的研究开发价值和实际发展优势,世界各大高校也已逐渐将其作为本校的特色专业或是重点发展的优势课程。网页制作作为一门综合性和实践性都很强的实战教程,其课堂教学方式自然也就显得无比的重要。本文针对任务驱动教学方法在网页制作课堂中的应用,以及存在的问题进行简单的分析,并提出相应的解决办法。  相似文献   
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