氨基酸在亚微米级液/液界面上的转移反应

应用循环伏安法和微、纳米管系统地研究了二苯并18冠6(DB18C6)加速20种氨基酸在水/1, 2-二氯乙烷(W/DCE)界面上的转移反应. 实验结果表明电位窗内只有10种氨基酸, 即苯丙氨酸(Phe)、亮氨酸(Leu)、异亮氨酸(Ile)、缬氨酸(Val)、色氨酸(Trp)、甲硫氨酸(Met)、丙氨酸(Ala)、甘氨酸(Gly)、半胱氨酸(Cys)和谷氨酰胺(Gln), 其质子化后的一价阳离子能给出很好的加速离子转移伏安图, 并且转移反应机理符合界面配合/界面离解反应. 由稳态伏安图可求出DB18C6与不同氨基酸在1,2-二氯乙烷中的配合常数和界面配合反应的动力学常数. 实验结果表明, 与碱金属离子和DB18C6配合相比, 这10种氨基酸与DB18C6的配合选择性较低, 主要原因是由于氨基酸支链所引起的位阻效应以及本体有机溶剂的亲脂化稳定效应的协同作用. 除了甘氨酸和甲硫氨酸以外, 不同氨基酸与DB18C6配合反应的配合常数以及反应速率常数与其亲脂性量度(π)有良好的对应关系, 这表明质子化的氨基酸与DB18C6的异相配合反应不仅决定于离子与冠醚环的键合强度, 而且与氨基酸在转移过程中的吉布斯转移能有关, 而吉布斯转移能又与氨基酸自身的结构密切相关. 这一研究将对人们理解在生命体中氨基酸在载体蛋白的推动作用下越过生物膜的主动运送过程有较重要意义.     

船舶侧向进气装置一体化数值研究

不同于以往孤立研究船舶进气装置的研究方法,本文采用三维数值模拟方法结合标准κ-ε模型对侧向进气装置内外流场进行了一体化数值研究。获得了侧向进气装置行驶过程中的气动参数分布以及进气室内部气流分布形态,得出气动损失最大位置,并通过定义总压恢复系数计算了船舶在行驶过程中的阻力分布。     

无谱峰畸变的定量13C DEPT++谱研究

具有定量特征的极化转移¹³C NMR 因检测灵敏度和分辨率高而常用于有机物的NMR 定量分析,比如Q-DEPT、Q-DEPT⁺等．但是,DEPT 检测本身存在相位和多重峰畸变问题,可能造成复杂样品的定量测定困难．由于DEPT++技术能够有效地消除上述畸变,该文尝试将Q-DEPT⁺方法的定量技术扩展到DEPT⁺⁺中,以消除谱峰畸变对于定量的影响．首先,利用积算符对DEPT⁺⁺的极化转移机制进行了系统理论分析,结果发现目前标准仪器和文献中关于DEPT⁺⁺可观测算符的表达式中存在符号错误,实验结果进一步证实了我们的猜测;进而采用Q-DEPT⁺技术中所采用的多极化转移时间和读出脉冲技术,将DEPT⁺⁺用于定量测定．结果表明所建立的Q-DEPT⁺⁺方法能够有效地消除谱畸变问题．     

Thermal effect on endurance performance of 3-dimensional RRAM crossbar array

Three-dimensional(3D) crossbar array architecture is one of the leading candidates for future ultra-high density nonvolatile memory applications. To realize the technological potential, understanding the reliability mechanisms of the3 D RRAM array has become a field of intense research. In this work, the endurance performance of the 3D 1D1 R crossbar array under the thermal effect is investigated in terms of numerical simulation. It is revealed that the endurance performance of the 3D 1D1 R array would be seriously deteriorated under thermal effects as the feature size scales down to a relatively small value. A possible method to alleviate the thermal effects is provided and verified by numerical simulation.     

基于ZigBee与CAN的工程机械液压系统参数监测系统设计

为了实现工程机械液压系统相关参数无线、有线、远程实时监控,设计一种基于ZigBee和CAN总线的工程机械液压系统参数监测系统。该液压监控系统由现场数据采集节点,无线与有线通信模块及计算机监控中心组成;数据采集以英飞凌XC2267芯片为核心,通过传感器对液压抓斗的液压油油温、压强、液位等信号进行采集,利用ZigBee无线传感器网络与CAN 总线将采集的参数送给监控中心;如果工作参数异常,监控中心可以提醒现场操作人员进行预警。     

Analysis of the influence of occupation rate of public transit vehicles on mixing traffic flow in a two-lane system

Based on the existing classical cellular automaton model of traffic flow, a cellular automaton traffic model with different-maximum-speed vehicles mixed on a single lane is proposed, in which public transit and harbour-shaped bus stops are taken into consideration. Parameters such as length of cellular automaton, operation speed and random slow mechanism are re-demarcated. A harbour-shaped bus stop is set up and the vehicle changing lane regulation is changed. Through computer simulation, the influence of occupation rate of public transit vehicles on mixed traffic flow and traffic capacity is analysed. The results show that a public transport system can ease urban traffic congestion but creates new jams at the same time, and that the influence of occupation rate of public transit vehicles on traffic capacity is considerable. To develop urban traffic, attention should be paid to the occupation rate of public transit vehicles and traffic development in a haphazard way should be strictly avoided.     

二氧化钒的电子结构及光学性质计算

本文使用基于量子力学第一性原理的CASTEP程序包,计算了单斜结构和金红石结构的二氧化钒(VO2)的电子结构、介电常数、吸收系数、折射率等光学性质。介电函数的虚部、吸收光谱、折射率等它们的峰值位置存在一一对应关系,这表明了它们之间存在着内在的联系,它们都与电子从价带到导带的跃迁吸收有关,这为从物理本质上理解二氧化钒的光学性质提供了重要的依据。计算结果与实验结果符合得很好。     

Monte Carlo study of single-barrier structure based on exclusion model full counting statistics

Different from the usual full counting statistics theoretical work that focuses on the higher order cumulants computation by using cumulant generating function in electrical structures, Monte Carlo simulation of single-barrier structure is performed to obtain time series for two types of widely applicable exclusion models, counter-flows model, and tunnel model. With high-order spectrum analysis of Matlab, the validation of Monte Carlo methods is shown through the extracted first four cumulants from the time series, which are in agreement with those from cumulant generating function. After the comparison between the counter-flows model and the tunnel model in a single barrier structure, it is found that the essential difference between them consists in the strictly holding of Pauli principle in the former and in the statistical consideration of Pauli principle in the latter.     

金红石型二氧化钒的电子结构及光电性质的计算

采用原子簇嵌入模式的电荷自洽离散变分法(SCC-DV-Xα-ECM),对金红石型二氧化钒(VO₂)的电子结构、介电常数、吸收系数、折射率、电导率等光电性质进行计算.得到O的2p能态与V的3d能态杂化形成一个宽带,费米能级在此带内上部.在费米能级下的能级上都占据有电子,此带中有大量电子都可参与导电,因此金红石型VO₂呈现金属性质.介电常数虚部随入射光频率的变化,反映了在0.8 eV能量附近,电子激发以带内跃迁为主,在5~7 eV能量范围,电子激发以带间跃迁为主.折射率和消光系数与已报道的实验结果符合得比较好.并将所得结果与CASTEP软件计算结果对比及分析讨论.