诺氟沙星与DNA的拉曼光谱研究

报道了诺氟沙星(NFX)及诺氟沙星胶囊内容物的FT-Raman光谱和在银胶基底上的表面增强拉曼光谱(SERS),归属了各个振动;研究了诺氟沙星与DNA的相互作用的SERS,结果表明:胶囊内容物的拉曼光谱图与对照品的拉曼光谱图的特征振动峰:C-F键的伸缩振动,C=C伸缩振动,O-C-O的对称伸缩振动峰值未发生变化,发生变化主要是分子骨架振动峰,诺氟沙星胶囊的辅料对拉曼光谱无实质影响,可建立拉曼光谱法检测诺氟沙星药物的分析方法;诺氟沙星可以在没有金属离子的存在下与DNA直接作用,与DNA相互作用的主要键合模式是插入作用,NFX分子中的平面结构插入DNA的双螺旋碱基平面,为深入了解喹诺酮类抗生素的抗菌机理提供可靠依据.     

超强激光与等离子体相互作用产生中子的计算

对超强激光与等离子体相互作用过程中发生的氘-氘反应的中子能谱进行了计算.并将计算结 果与实验结果相比较.采用麦克斯韦能量分布和高斯形式的角分布对实验结果进行拟合，从 而确定了入射氘离子的温度和角分布，为研究离子的加速机制提供了依据. 关键词： 中子能谱 激光与等离子体相互作用     

A 168-W high-power single-frequency amplifier in an all-fiber configuration

We present a high-power,single-frequency,narrow linewidth fiber amplifier based on master oscillator power amplification chains in an all-fiber configuration.The effect of the delivery fiber on the maximum output power is studied.A home-made 1064-nm seed laser with a 20-kHz linewidth is boosted to 129 W,and limited by stimulated Brillouin scattering(SBS) when the delivery fiber is 1.2 m long.By shortening the delivery fiber length to 0.7 m,the SBS threshold is increased efficiently and the maximum output power rises to 168 W with an 82.9% power conversion efficiency.The experimental results indicate that the output power can be further raised by shortening the delivery fiber length and increasing the pump power.     

Precise measurement of the line width of the photoassociation spectra of ultracold molecules by using a frequency shifter

We propose a technique to precisely measure the line width of the photoassociation spectra of the excited cesium molecule by using a frequency shifter to generate two laser beams with a precise frequency difference. A series of photoassociation (PA) spectra are recorded with two laser beam induced molecular lines, whose peak separation serves as an accurate frequency ruler to measure the line width of the PA spectra. The full width half maximum line width was studied as a function of PA laser intensity. The extrapolated value at zero laser intensity is (34.84 ± 0.22) MHz. By analyzing other broadening mechanisms, a value of (32.02 ± 0.70) MHz was deduced. It is shown that this scheme is inexpensive, simple, robust, and is promising for applications in a variety of other atomic species.     

Multi-hybrid method for investigation of EM scattering from inhomogeneous object above a dielectric rough surface

An iterative strategy combining Kirchhoff approximation(KA) with the hybrid finite element-boundary integral(FE-BI) method is presented in this paper to study the interactions between the inhomogeneous object and the underlying rough surface.KA is applied to study scattering from underlying rough surfaces,whereas FE-BI deals with scattering from the above target.Both two methods use updated excitation sources.Huygens equivalence principle and an iterative strategy are employed to consider the multi-scattering effects.This hybrid FE-BI-KA scheme is an improved and generalized version of previous hybrid Kirchhoff approximation-method of moments(KA-MoM).This newly presented hybrid method has the following advantages:(1) the feasibility of modeling multi-scale scattering problems(large scale underlying surface and small scale target);(2) low memory requirement as in hybrid KA-MoM;(3) the ability to deal with scattering from inhomogeneous(including coated or layered) scatterers above rough surfaces.The numerical results are given to evaluate the accuracy of the multi-hybrid technique;the computing time and memory requirements consumed in specific numerical simulation of FE-BI-KA are compared with those of MoM.The convergence performance is analyzed by studying the iteration number variation caused by related parameters.Then bistatic scattering from inhomogeneous object of different configurations above dielectric Gaussian rough surface is calculated and the influences of dielectric compositions and surface roughness on the scattering pattern are discussed.     

Sound velocities of compressed Fe3C from simultaneous synchrotron X‐ray diffraction and nuclear resonant scattering measurements

The applications of nuclear resonant scattering in laser‐heated diamond anvil cells have provided an important probe for the magnetic and vibrational properties of ⁵⁷Fe‐bearing materials under high pressure and high temperature. Synchrotron X‐ray diffraction is one of the most powerful tools for studying phase stability and equation of state over a wide range of pressure and temperature conditions. Recently an experimental capability has been developed for simultaneous nuclear resonant scattering and X‐ray diffraction measurements using synchrotron radiation. Here the application of this method to determine the sound velocities of compressed Fe₃C is shown. The X‐ray diffraction measurements allow detection of microscale impurities, phase transitions and chemical reactions upon compression or heating. They also provide information on sample pressure, grain size distribution and unit cell volume. By combining the Debye velocity extracted from the nuclear resonant inelastic X‐ray scattering measurements and the structure, density and elasticity data from the X‐ray diffraction measurements simultaneously obtained, more accurate sound velocity data can be derived. Our results on few‐crystal and powder samples indicate strong anisotropy in the sound velocities of Fe₃C under ambient conditions.     

Phase Diagram of Transverse Spin-2 Ising Model with Longitudinal Crystal Field

The transverse spin-2 Ising ferromagnetic model with a longitudinal crystal field is studied within the mean-field theory. The phase diagrams and magnetization curves are obtained by diagonalizing the Hamiltonian H_i of the Ising system numerically, and the first order-order phase transitions, the first order-disorder phase transitions, and the second-order phase transitions are discussed in details. Reentrant phenomenaoccur when the value of the transverse field is not zero and the reentrantdiagram is given.     

SiH3+O(3P)反应机理的理论研究

利用abinitio方法对SiH3+O(3P)反应进行了理论研究,在MP2/6-311+G(d,p)水平上优化得到了反应途径上的反应物、中间体、过渡态和产物的几何构型,并在QCISD(T)/6-311+G(d,p)水平上进行单点能计算.计算结果表明,SiH3+O(3P)→IM1→TS3→IM2→TS8→HOSi+H2为主反应通道,其他可能存在的次要产物有HSiOH+H、H2SiO+H和HSiO+H2.HOSi、HSiO和HSiOH(cis)还可能进一步解离生成SiO.另外,计算结果对SiH4+O(3P)反应机理中存在的争议给出了可能的解释,认为Withnall等人在实验中观察到的产物HSiOH、H2SiO和SiO并不是SiH4+O(3P)反应的直接产物,而是来自副反应SiH3+O(3P).     

高In组分InGaNAs/GaAs量子阱的生长及发光特性

采用分子束外延技术(MBE)在Ga As衬底上外延生长高In组分(40%)In Ga NAs/Ga As量子阱材料,工作波长覆盖1.3~1.55μm光纤通信波段。利用室温光致发光(PL)光谱研究了N原子并入的生长机制和In Ga NAs/Ga As量子阱的生长特性。结果表明:N组分增加会引入大量非辐射复合中心;随着生长温度从480℃升高到580℃,N摩尔分数从2%迅速下降到0.2%;N并入组分几乎不受In组分和As压的影响,黏附系数接近1;生长温度在410℃、Ⅴ/Ⅲ束流比在25左右时,In_(0.4)Ga_(0.6)N_(0.01)As_(0.99)/Ga As量子阱PL发光强度最大,缺陷和位错最少;高生长速率可以获得较短的表面迁移长度和较好的晶体质量。     

川西平原还田秸秆腐解释放DOM的光谱特征

为掌握川西平原保护性耕作模式下还田秸秆腐解过程的光谱学特性,追溯还田秸秆对川西地区生态系统结构的影响过程,采集了该地区主要种植作物油菜、水稻的秸秆样本,利用紫外-可见吸收光谱(UV-Vis)、三维荧光光谱(3D-EEM)和傅里叶变换红外光谱(FTIR)三种光谱学表征手段,阐明秸秆各腐解阶段溶解性有机质(DOM)的光谱学特征,对比不同农作物秸秆快速淋溶阶段DOM(0~0.5 d)与腐解过程(0.5~90 d)的光谱学特征差异性,解析其变化机理。结果表明： 还田秸秆腐解过程中DOM的光谱学特性差异明显,伴随着芳香性物质的溶出、降解以及新生腐殖类物质的形成;由秸秆快速淋溶阶段释放DOM的E₂/E₃值最大而SUVA₂₅₄值最小可知该阶段溶出的物质芳香性和分子量相对较小;其芳香性组分的溶出主要集中在腐解前期(≤10 d),表现于该阶段E₂/E₃值逐渐减小且SUVA₂₅₄值逐渐增大,DOM中多糖峰、芳香C和酰胺峰变弱;难分解的纤维素、半纤维素和大分子蛋白质主要在腐解后期被降解;DOM中酚类、羰基类和羧酸类物质数量增加,使得DOM与有机污染物、金属离子的相互作用增强,进而调节农田土壤中污染物的迁移转化过程。本研究为川西平原秸秆还田的环境意义提供了基础数据和新证据,为该地区农业废弃物处理与资源化提供了依据。