Fe3O4表面逆水煤气反应的DFT研究

采用密度泛函理论（DFT）研究了Fe3O4（111）表面逆水煤气反应的机理（氧化还原机理和中间产物分解机理）。通过优化初始构型,得到了最稳定的吸附构型。对两种机理主要的基元反应活化能进行了比较,结果表明：氧化还原机理是主要的反应机理,中间产物分解机理较难发生。计算结果还表明八面体Fe原子在吸附和活化过程中起着重要作用。     

基于OBB层次结构碰撞检测的改进算法

方向包围盒（Oriented bounding box：OBB）的构造以及包围盒的相交测试的计算量都比较大，严重影响了在模拟、仿真的应用，尤其是有变形物体的场景。引入近似凸包的思想提出一种快速构造方向包围盒算法，很大程度上减少了构造方向包围盒（0BB）层次结构的顶点数，改进后的算法在降低构造层次结构时间的同时，对方向包围盒的紧密性代价几乎没有影响，在有些时候还提高了包围盒的紧密性。在包围盒相交测试方面，提留了一种基于筒单羽以爱的相交须刿方击，该算法在检测过程中省去了大量包围盒的相交测试计算，提高了相交测试的速度。最后将两种改进算法联合的碰撞检测框架与常用的基于均值和协方差矩阵的包围盒构造和基于分裂轴的算法进行比较，证明了算法具有高效性。     

PMMA添加量对PVDF-HFP聚合物电解质结构及性能的影响

采用溶剂挥发法,以丙酮和DMF做混合溶剂制备PVDF-HFP/PMMA聚合物电解质,通过X射线衍射、热失重分析、交流阻抗、恒流充放电循环及倍率充放电等测试手段,考察了PMMA的添加量对聚合物电解质性能的影响.研究发现当PMMA的添加量为50%时,聚合物电解质表现出最佳性能,室温离子电导率从0.26 m S/cm提升到1.35 m S/cm,以Li Co O2作正极材料,锂片作负极材料组装的聚合物锂离子电池初始容量从80.1 m Ah/g提升到143.6 m Ah/g,在0.2 C倍率条件下,50个循环后容量保持率还能达到80%,表现出优异的锂离子电池性能.     

Electrodeposited synthesis of self-supported Ni-P cathode for efficient electrocatalytic hydrogen generation

One of the key challenges for electrochemical water splitting is the development of low-cost and efficient hydrogen evolution cathode. In this work, a self-supported Ni-P cathode was synthesized by a facile electrodeposition method. The composition and morphology were characterized by X-ray diffraction, X-ray photoelectron spectroscopy, scanning electron microscopy and transmission electron microscopy. The Ni-P cathode performed low onset over-potential, good catalytic activity and long-term stability under neutral and alkaline conditions. The mechanism of Ni-P electrode for hydrogen production was discussed by electrochemical impedance spectroscopy. The excellent performance of Ni-P cathode was mainly attributed to the synergistic effect of phosphate anions and the self-supported feature.     

Microstructure and properties of in-situ synthesized Cu-1 wt%TiC alloy followed by ECAP and post-annealing

A dispersion-strengthened copper alloy with 1 wt% TiC for commercial electrical-contact wires was prepared by in-situ reaction casting, grain-ultrafining by equal-channel angular pressing (ECAP) and subsequent annealing with aim to obtain excellent comprehensive performance. The results showed that fine TiC particles were in-situ synthesized in the as-cast Cu matrix and aggregated in clusters, and thus mechanical properties of the as-cast alloy deemed insufficient. Continued ECAP at 473 K significantly refined the grains of the as-cast alloy and improved the distribution of TiC particles. Due to multiple strengthening mechanisms, the ECAP-processed alloys maintained good conductivity with obviously enhanced tensile strength and hardness values. After post-ECAP annealing, the elongation and conductivity of the fine-grained copper alloy increased with the adequate tensile strength. The novel combined process endows the alloy appropriate performance to serve current high-frequency electrification railway systems.     

难加工合金材料复杂曲面磁性磨料光整加工技术

磁性磨料光整加工技术是一种非常重要的光整加工技术,与低频振动和超声振动相结合,可实现高精度、高质量和高效率的光整加工。介绍了磁性磨料光整加工、振动辅助磁性磨料光整加工及超声辅助磁性磨料光整加工技术的原理和特点及相关的国内外研究现状。根据难加工合金材料复杂曲面的特点,提出实现复杂曲面磁性磨料光整加工,需要就以下问题开展进一步研究和探索:通过提高加工间隙的磁通量密度及磁能与其他能量复合来提高光整加工效率;建立复杂曲面磁性磨粒光整加工过程控制函数;探讨在磁极工具的空间几何约束作用下复杂曲面磁性磨料光整加工工艺的规划方法等。     

鱼腥藻PCC7120染色体MazEF同源基因对asr0757/alr0758的初步研究

鱼腥藻PCC7120染色体上的基因对asr0757/alr0758,经NCBI比对显示其与大肠杆菌中的毒素-抗毒素基因Maz EF具有较高的同源性,且具有毒素-抗毒素系统基因的保守遗传结构,为研究其是否属于Maz EF家族系统基因,构建同时含有asr0757和alr0758基因的双启动子选择性表达载体,先选择性诱导了该基因对的表达,再验证了其表达产物对细菌生长的影响.结果显示:成功诱导表达出了目的蛋白asr0757(13.5KD)和alr0758(17.5KD),当单独诱导asr0757基因表达时,细菌生长状况不受影响,单独诱导alr0758表达时细菌生长明显受到抑制,同时诱导asr0757和alr0758基因时细菌生长恢复正常,说明asr0757/alr0758构成具有生物功能的Maz EF家族系统基因对,具有毒性与抗毒性功能.     

龙蔓藤茶增强免疫力功能的实验研究

目的:研究龙蔓藤茶增强免疫力功能的作用.方法:采用雌性昆明小鼠,设9.10、18.20、54.60 g·kg-13个剂量组,每日灌胃1次,连续给样品30 d,检测对小鼠体重、胸腺、脾脏器官、Con A诱导的脾淋巴细胞转化、DNFB诱导的DTH、溶血空斑数、血清半数溶血值(HC50)、碳廓清能力、腹腔巨噬细胞吞噬鸡红细胞、NK细胞活性的影响.结果:与对照组比较,18.20、54.60 g·kg-1剂量能显著提高小鼠迟发型变态反应能力、NK细胞活性、半数溶血值,54.60 g·kg-1剂量能显著提高小鼠抗体生成细胞数,各剂量对小鼠体重增长、胸腺/体重比值、脾脏/体重比值、单核-巨噬细胞碳廓清能力及巨噬细胞吞噬鸡红细胞能力均无显著影响.结论:龙蔓藤茶具有一定增强免疫力功能的作用.     

数字图像连续表示及应用

研究了离散图像的连续表示及重建问题.首先利用弦理论,给出了图像的连续表示形式,然后利用付里叶变换实现了图像连续表示及重建的快速算法,接着将它们应用于图像无级缩放、图像平滑、边缘检测、角点检测,并与传统离散图像处理方法的实验结果进行了比较.实验结果表明:利用图像连续表示方法处理离散图像可以得到不差于传统的离散图像处理方法处理的结果,此方法使离散图像的解析法处理成为可能.     

PTC124 targets genetic disorders caused by nonsense mutations

Nonsense mutations promote premature translational termination and cause anywhere from 5-70% of the individual cases of most inherited diseases. Studies on nonsense-mediated cystic fibrosis have indicated that boosting specific protein synthesis from <1% to as little as 5% of normal levels may greatly reduce the severity or eliminate the principal manifestations of disease. To address the need for a drug capable of suppressing premature termination, we identified PTC124-a new chemical entity that selectively induces ribosomal readthrough of premature but not normal termination codons. PTC124 activity, optimized using nonsense-containing reporters, promoted dystrophin production in primary muscle cells from humans and mdx mice expressing dystrophin nonsense alleles, and rescued striated muscle function in mdx mice within 2-8 weeks of drug exposure. PTC124 was well tolerated in animals at plasma exposures substantially in excess of those required for nonsense suppression. The selectivity of PTC124 for premature termination codons, its well characterized activity profile, oral bioavailability and pharmacological properties indicate that this drug may have broad clinical potential for the treatment of a large group of genetic disorders with limited or no therapeutic options.