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81.
The molecular design of short peptides to achieve a tailor-made functional architecture has attracted attention during the past decade but remains challenging as a result of insufficient understanding of the relationship between peptide sequence and assembled supramolecular structures. We report a hybrid-resolution model to computationally explore the sequence–structure relationship of self-assembly for tripeptides containing only phenylalanine and isoleucine. We found that all these tripeptides have a tendency to assemble into nanofibers composed of laterally associated filaments. Molecular arrangements within the assemblies are diverse and vary depending on the sequences. This structural diversity originates from (1) distinct conformations of peptide building blocks that lead to different surface geometries of the filaments and (2) unique sidechain arrangements at the filament interfaces for each sequence. Many conformations are available for tripeptides in solution, but only an extended β-strand and another resembling a right-handed turn are observed in assemblies. It was found that the sequence dependence of these conformations and the packing of resulting filaments are determined by multiple competing noncovalent forces, with hydrophobic interactions involving Phe being particularly important. The sequence pattern for each type of assembly conformation and packing has been identified. These results highlight the importance of the interplay between conformation, molecular packing, and sequences for determining detailed nanostructures of peptides and provide a detailed insight to support a more precise design of peptide-based nanomaterials. 相似文献
82.
Wenyun Yang Qiwei Hu Guanyi Qiao Liang Zha Shunquan Liu Jingzhi Han Honglin Du Yan Zhang Yingchang Yang Changsheng Wang 《中国稀土学报(英文版)》2019,37(10):1102-1107
In this work, we report the tuning effect of the Si substitution on the magnetic and high frequency electromagnetic properties of R2Fe17 compounds and their paraffin composites. It is found that the introduction of Si can remarkably improve the magnetic and electromagnetic properties of the R2Fe17 compounds, making the R2Fe17–xSix-paraffin composites excellent microwave absorption materials (MAMs). By introducing the Si element, their saturation magnetizations decrease slightly, while much higher Curie temperatures are obtained. Furthermore, better impedance match is reached due to the decrease of the high-frequency permittivity ε′ by about 40%–50%, which finally enhances the performance of the microwave absorption. The peak frequency (fRL) of the reflection loss (RL) curve moves toward high frequency domain and the qualified bandwidth (QB, RL ≤ ?10 dB) increases remarkably. The maximum QB of 3.3 GHz (12.0–15.3 GHz) is obtained for the Sm1.5Y0.5Fe15Si2-paraffin composite (d = 1.0 mm) and the maximum RL of ?53.6 dB is achieved for Nd2Fe15Si2-paraffin composite (d = 2.2 mm), both surpassing most of the reported MAMs. Additionally, a distinguished dielectric microwave absorption peak is observed, which further increases the QB in these composites. 相似文献
83.
84.
Because of the introduction of new processing parameters in water-assisted injection molding (WAIM), processes control has become more difficult. First, design of experiment (DOE) was carried out by using optimized Latin hypercubes (Opt LHS). On the basis of this, computational fluid dynamics (CFD) method was used to simulate and calculate hollowed core ratios and wall thickness differences of cooling water pipe at different positions. Then inverse radial basis function (RBF) neural network model reflecting the fitting relationship between processing parameters and molding quality was established, and accuracy of the model was detected by cross validation. Finally, expected molding quality was applied to predict processing parameters, and the obtained molding quality under the predicted processing parameters was verified by computer aided engineering (CAE) simulation and experimental methods. The results showed that mean relative precisions of processing parameters such as melt temperature, delay time, short shot size, water pressure, and mold temperature for inverse RBF model were 98.6%, 93.6%, 98.5%, 93.9%, and 97.9%, respectively, which met the accuracy requirements. Furthermore, compared with expected values of hollowed core ratios and wall thickness differences, the average errors of CAE and experiment were 2.3% and 4.9%, respectively. 相似文献
85.
86.
摘 要:针对城市地理信息平台构建过程中存在的数据获取困难、研发成本较高等问题,
引入开源技术,对基于开源数据、开源开发平台与开源工具的城市地理信息平台构建技术进行
研究。所提出的城市地理信息平台由数据模块与可视化模块 2 部分组成。为构建数据模块,由
开源地理信息项目(OSM)获取了建筑与区划数据,并设计了建筑合并算法以提升数据质量。建
筑数据随之基于行政区划分级存储,通过由 ASP. NET 构建的数据接口提供给具体应用。可视
化模块则基于开源地理信息系统(GIS)项目 Cesium 实现,并设计了完善的用户界面。以北京市
为例,完成了原型系统的开发与测试,证实了该技术体系的可行性,通过开源技术降低平台研
发成本,推进城市地理信息平台的研究与应用。 相似文献
87.
88.
在石化安全关键设备寿命截尾数据的可靠性评估过程中,为避免传统可靠性评估方法未考虑维修对故障间隔时间的影响,以及中值填充法误差较大的缺点,本文提出了一种逆变换区间截尾数据填充方法。首先,在可修系统基于最小维修的假设下,通过非齐次泊松过程描述系统的故障趋势,利用逆变换填充得到监测区间的缺失数据;随后根据蒙特卡罗期望最大化算法,获得填充数据的参数估计值。通过蜡油加氢装置紧急泄压阀的案例分析,该算法能够很好地融合已有数据,得到的形状参数估计值偏差与中值填充法相比缩小4%以上,从而验证了该算法的有效性;这有助于安全关键设备的定量化完整性管理,保障石化装置平稳运行。 相似文献
89.
Youngseok Lee Cheolmin Park Nagarajan Balaji Youn-Jung Lee Vinh Ai Dao 《Israel journal of chemistry》2015,55(10):1050-1063
Over the past few decades, crystalline silicon solar cells have been extensively studied due to their high efficiency, high reliability, and low cost. In addition, these types of cells lead the industry and account for more than half of the market. For the foreseeable future, Si will still be a critical material for photovoltaic devices in the solar cell industry. In this paper, we discuss key issues, cell concepts, and the status of recent high-efficiency crystalline silicon solar cells. 相似文献
90.
Daniel H. Stones Anne-Marie Krachler 《International journal of molecular sciences》2015,16(2):2626-2640
The ability of bacterial species to colonize and infect host organisms is critically dependent upon their capacity to adhere to cellular surfaces of the host. Adherence to cell surfaces is known to be essential for the activation and delivery of certain virulence factors, but can also directly affect host cell signaling to aid bacterial spread and survival. In this review we will discuss the recent advances in the field of bacterial adhesion, how we are beginning to unravel the effects adhesins have on host cell signaling, and how these changes aid the bacteria in terms of their survival and evasion of immune responses. Finally, we will highlight how the exploitation of bacterial adhesins may provide new therapeutic avenues for the treatment of a wide range of bacterial infections. 相似文献