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.     

Adaptive neural network output feedback control of incommensurate fractional-order PMSMs with input saturation via command filtering and state observer

Neural Computing and Applications - In this paper, an adaptive neural network (NN) output feedback control is investigated for incommensurate fractional-order permanent magnet synchronous motors...     

Computational Fluid Dynamics Study on a Top-Blown Smelting Process with Lance Failure in an Isa Furnace

JOM - The Isa/Ausmelt smelting technology with a top submerged lance (TSL) has been extensively used in copper smelting processes. However, the TSL is extremely vulnerable to damage and failure...     

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...     

Identification of vivianite,an unusual blue pigment,in a sixteenth century painting and its implications

Vivianite, a blue pigment employed in the past practically only in Northern and Central Europe, but with very limited use, was identified in an early sixteenth century painting, stylistically with Flemish features, from a church in Portugal. The identification of this iron phosphate mineral was made by SEM‐EDS based on the atomic ratio between phosphorus and iron in layers of blue paint (area analysis) and in particles of these same layers (spot analysis). This painting, about which there is no document to prove its authorship, becomes the first case, known in detail, of a sixteenth century painting containing vivianite. Moreover, this find and the presence of a chalk ground, also identified, strongly support the hypothesis of being a Flemish painting.     

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。