Sequence-Dependent Nanofiber Structures of Phenylalanine and Isoleucine Tripeptides

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.     

Role of Co in formation of Ni-Ti clusters in maraging stainless steel

The effect of Co addition on the formation of Ni-Ti clusters in maraging stainless steel was studied by three dimensional atom probe (3DAP) and first-principles calculation. The cluster analysis based on the maximum separation approach showed an increase in size but a decrease in density of Ni-Ti clusters with increasing the Co content. The first-principles calculation indicated weaker Co-Ni (Co-Ti) interactions than Co-Ti (Fe-Ti) interactions, which should be the essential reason for the change of distribution characteristics of Ni-Ti clusters in bcc Fe caused by Co addition.     

Investigation of machining and wear performance of various diamond micro-grinding tools

The International Journal of Advanced Manufacturing Technology - The wear of micro-grinding tools less than 1 mm in diameter is crucial for achieving acceptable surface quality and accurate...     

基于Q-learning的不确定环境BDI Agent最优策略规划研究

BDI模型能够很好地解决在特定环境下的Agent的推理和决策问题,但在动态和不确定环境下缺少决策和学习的能力。强化学习解决了Agent在未知环境下的决策问题,却缺少BDI模型中的规则描述和逻辑推理。针对BDI在未知和动态环境下的策略规划问题,提出基于强化学习Q-learning算法来实现BDI Agent学习和规划的方法,并针对BDI的实现模型ASL的决策机制做出了改进,最后在ASL的仿真平台Jason上建立了迷宫的仿真,仿真实验表明,在加入Q-learning学习机制后的新的ASL系统中,Agent在不确定环境下依然可以完成任务。     

基于聚类的数据加权优化在犯罪预测中的应用

近年来，我国传统暴力犯罪与成年人犯罪呈下降态势，但是，犯罪案由层出不穷。为有效提升公安实践工作中犯罪预测能力，打击各类违法犯罪事件,本文针对犯罪数据，提出一种新型犯罪预测模型。利用密度聚类分析方法将犯罪数据分类，然后进行数据降维提取关键属性生成特征数据，继而对特征数据进行加权优化并采用机器学习的方式对特征数据进行学习，从而预测犯罪案由。实验结果表明，与传统方法相比，本文方法具有更好的预测效果，为公安实践工作中类似案件的侦破和预防，提供新的路径支撑。     

Nonlinear system identification using BBO-based multilayer perceptron network method

Microsystem Technologies - Recently, nonlinear system identification has received increasingly more attention due to its promising applications in engineering fields. It has become a challenging...     

Anchoring single Pt atoms on hollow Ag3VO4 spheres for improved activity towards photocatalytic H2 evolution reaction

The high cost of noble metal catalysts has been a great bottleneck for the catalyst industry. Using the noble metal at a single-atom level for catalytic applications could dramatically decrease the cost. The impacts of single Pt atoms on the photocatalytic performance of Ag₃VO₄ have been investigated and reported. In this report, single Pt atoms were anchored on the surface of Ag₃VO₄ (AVO) as a cocatalyst, and the resultant composite photocatalyst has been studied for photocatalytic H₂ production from water driven by visible light. The as-prepared AVO particles are hollow nanospheres in the monoclinic phase with a bandgap of 2.20 eV. The light absorption edge of AVO/Pt is slightly red-shifted compared to that of the pristine AVO, indicating more visible light absorption of AVO/Pt. The XPS peaks of Ag, V, and Pt exhibit a significant shift after AVO and Pt get into contact, suggesting the strong interaction between the surface Ag and V atoms, and single Pt atoms. After 3-h illumination, the photocatalytic H₂ evolution amount from AVO/Pt is improved up to 1400 μmol, which is 2.8 times that on the bare AVO. Such efficient photocatalytic H₂ evolution on AVO/Pt is still maintained after five reaction cycles. The better photocatalytic performance of AVO/Pt has been attributed to the more efficient visible light utilization and the lower interfacial charge transfer resistance, as demonstrated in the DRS and EIS spectra. The presence of the surface Pt atoms also leads to a higher amount of reactive radicals, which could efficiently promote the surface redox reactions.     

面源红外诱饵对抗红外制导导弹干扰策略研究

面源红外诱饵使用的过程中,合理有效的干扰策略是干扰红外制导导弹的关键,针对这一问题,通过理论分析与仿真模拟相结合得到面源红外诱饵对抗红外制导导弹的干扰策略。首先以红外成像制导导弹为例,介绍红外制导导弹的仿真模型,然后将攻击过程分为锁定前与锁定后,以命中率为评价指标,得到两个阶段下的最佳干扰策略,包括诱饵的最佳释放时机、释放间隔以及载机应采取的机动动作等。