拉曼光谱在血红蛋白结构及功能研究中的应用进展

血红蛋白发挥多种重要生理功能,但对其结构及功能的认识尚不能满足疾病诊治的需求。拉曼光谱在血红蛋白结构及功能研究中具有很大应用潜力,不但可以检测血红蛋白中血红素及其周围分子结构变化,还可以反映血红蛋白反应动力学具体过程。同时,血红蛋白拉曼光谱在疾病状态下异常血红蛋白检测,血氧饱和度定量测定及血液代用品的高铁血红蛋白含量检测中突显优势。本文综述了拉曼光谱在血红蛋白结构及功能领域中的研究,简述了拉曼光谱在一些病变血红蛋白诊断中的研究进展,分析了影响血红蛋白拉曼光谱检测的因素,以促进拉曼光谱技术在血红蛋白结构和功能研究中的应用。     

Engineering Double-Walled Carbon Nanotubes by Ar Plasma

Double-walled carbon nanotubes （DWCNTs） have been found to be promising nano-materials for nano-mechanical and nano-electrical devices due to their double-walled structures. Modifying DWCNTs would be one of the key technologies for device construction. We demonstrate engineering the geometry of DWCNTs by etching with Ar plasma. The characterization by atomic force rnicroscopy indicates that single atomic carbon layers could be removed from DWCNTs by Ar plasma. The etching effect is further investigated by electrical measurements on DWCNT field-effect transistors, which allow us to study the interwall screen effect as well.     

Matlab在光学信息处理仿真实验中的应用

提出了一种利用计算机并通过Matlab软件仿真光学信息处理实验的方法 ,其特点是可以随意改变物理参量 ,克服了光学实验上难以实现的操作 .文中分别给出了光栅衍射、空间滤波、图像边缘增强、相关识别等实验的部分仿真结果 .     

Hawking效应是坐标尺度变换下的补偿效应

从新的角度尝试发展了Weyl的规范不变理论。黑洞物理学中的Hawking效应普遍可以看作坐标尺度变换下的补偿效应。相应的量子温度是补偿场的纯规范势。 关键词：     

Speech enhancement based on multitaper spectrum and psychoacoustical weighting rule

Multitaper spectrum has lower variance than the traditional periodogram. The noise spectrum and the noise to noisy signal spectrum ratio (NNSR) were estimated from the multitaper spectrum of the noisy signal; the pre-enhanced speech for calculating the noise masking threshold was obtained by the spectral amplitude subtraction method, whose gain is a function of NNSR; the final enhanced speech was obtained by suppressing the Fourier spectrum of the noisy speech with the psychoacoustical weighting rule incorporating the noise masking threshold. Because of the low variance feature of the multitaper spectrum, a modified offset formula was proposed to calculate the noise masking threshold, thus the reconstructed speech with this modification has an improvement in MBSD (Modified Bark Spectral Distortion). When a maximum limitation less than one to the psychoacoustical weighting rule is further proposed, the higher the input SNR (> 0 dB) is, the more improvement the segmental SNR and the overall SNR have. The informal listening tests show that there is little speech distortion for the enhanced speech processed by the proposed method, the background noise is reduced much and free of musical noise.     

微合金化元素对Fe—A1界面结合的第一性原理研究

利用第一性原理中的DFT理论研究了Fe／A1界面的能量学和电子结构，讨论了替位型掺杂的元素Zn、Mn、Ni在Fe／A1界面处的作用．结果表明：元素Zn、Mn、Ni都会优先替换界面处的Fe原子，使得界面结合能增加，体系更稳定，有利于界面的结合；跨界面的Fe原子与Al原子之间的电荷布居、键长以及差分电荷密度图的计算表明：掺杂后有利于跨界面的Fe-Al间成键，从而加强了Al层与Fe基体的结合，且结合强度由强到弱依次为：掺Zn〉掺Mn〉掺Ni；与实验比较吻合．最后对掺杂Zn的增韧机理加以解释．     

f0（975）和Ф（1020）介子对中子星物质的影响

利用相对论平均场理论，考虑了σ＊，Ф介子及重子八重态{N，P，A，∑^-，∑0,∑＋，Ξ^-，Ξ^0}，研究了中子星的性质．发现当考虑了σ＊，Ф介子的贡献时，超子出现的临界重子数密度降低了，超子数目增加了，超子星的转变密度poH降低了，物态方程变软，最大质量变小而相应的中子星半径增大，中子星的中心重子数密度、中心能量密度和中心压强均降低．     

基于第一性原理的石墨吸附一氧化碳倾向性研究

利用基于量子力学的第一性原理计算方法,从微观角度研究煤层对一氧化碳气体的吸附机理.根据煤层的基本成分及结构特点,用结构类似的石墨模拟复杂的煤层,建立石墨吸附一氧化碳分子的模型,讨论石墨表面的三种高对称吸附位置,分别是顶位（top位）、桥位（bridge位）、洞位（hollow位）对一氧化碳分子的吸附.结果表明：当一氧化碳分子垂直于石墨表面,且碳原子端靠近碳层时,在石墨（001）表面的桥位（bridge位）有较强的吸附能.     

3,4-噻吩二羧酸、1,10-邻菲罗啉与稀土配合物的荧光性质及对硝基苯的检测

3,4-噻吩二羧酸(3,4-H₂tdc),1,10-邻菲罗啉(phen)和稀土硝酸盐经水热法合成三种配合物Ln₂(Htdc)₂(tdc)₂(phen)₂(H₂O)₄(Ln=Eu 1, Gd 2, Tb 3),并用X-射线单晶衍射分析方法测定了配合物1-3晶体结构,配合物1-3为双核分子。每个金属离子周围有2个3,4-tdc,1个3,4-Htdc,1个phen和2个配位水分子,配位数为9。配合物1和3在紫外灯下显强红光和绿光,其荧光发射光谱,在619和545 nm出现最大发射峰,分别对应于Eu(Ⅲ)离子的5D₀→7F₂和Tb(Ⅲ)离子的5D₄→7F₅跃迁。配合物2在425 nm观察到来自基于配体的π*→π最大发射峰。不同溶剂分子对配合物1荧光有不同程度的影响,基于荧光猝灭机理,配合物1具有选择性检测硝基苯污染物的能力。     

Spin-Dependent Transport and Densities of States in Non-collinear Magnetic Barriers

The spin-dependent transport properties in the non-collinear pattern of series of δ-magnetic barriers are studied by using scattering theory and Green＇s function methods. The Green＇s function is obtained by using distorted wave approach and the scattering matrix is related by Fisher-Lee relationship. In addition to reproducing the results of Papp＇s and Xu＇s in parallel and antiparallel configurations, we also obtain further results, where arbitrary orientations of the magnetic barriers and arbitrary number of barriers are included. The main finding of our results is that the signs of polarizations can be switched around some ＂geometric unpolarized windows＂. The well-known antiparallel configuration has no such characteristics. Furthermore, we discuss spin-related partial densities of states in both polarized and unpolarized structures.