微波消解ICP-MS测定鲜竹笋中7种微量元素

建立同时检测鲜竹笋中铬、铜、锌、砷、镉、汞、铅等7种元素的分析方法。竹笋样品在硝酸介质中经微波消解,用电感耦合等离子体质谱(ICP-MS)检测,全定量法采集数据。校准曲线线性良好,相关系数在0.9937—1.0000之间;检出限为0.005—0.202μg/L;加标回收率在88.96%—110.5%;精密度RSD小于6.09%;国家标准样品西红柿叶(GSBZ51001-94)中几种元素的测定值都在标准范围内。该方法具有灵敏、可靠、快速、准确等优点,适用于竹笋中微量元素的分析测定。     

Investigation of hydrogen bonding in neat dimethyl sulfoxide and binary mixture (dimethyl sulfoxide + water) by concentration-dependent Raman study and ab initio calculation

In this study,our vibrational spectroscopic analysis is made on hydrogen-bonding between dimethyl sulfoxide and water comprises both experimental Raman spectra and ab initio calculations on structures of various dimethyl sulfoxide/water clusters with increasing water content.The Raman peak position of the v(S=O) stretching mode of dimethyl sulfoxide serves as a probe for monitoring the degree of hydrogen-bonding between dimethyl sulfoxide and water.In addition,the two vibrational modes,namely,the CH 3 symmetric stretching mode and the CH 3 asymmetric stretching mode have been analysed under different concentrations.We relate the computational results to the experimental vibrational wavenumber trends that are observed in our concentration-dependent Raman study.The combination of experimental Raman data with ab initio calculation leads to a better knowledge of the nature of the hydrogen bonding and the structures of the hydrogen-bonded complexes studied.     

Design of dispersive multilayer with particle swarm optimization method

<正>We present a new and efficient method for the design of dispersive multilayer by employing a particle swarm optimization(PSO) technique.Its mathematical background is given and an adaptive PSO is realized with computer code.Two practical designing tasks are solved with this method,and the obtained results are competitive compared with other published structures.The adaptive PSO method demonstrates its merits of fast convergence and powerful global search ability,and could be used as a valuable tool for the optical thin film design.     

模糊数的正向和反向表述及模糊数运算的拓展

模糊数运算的存在不可逆等问题,主要在于传统(正向)区间数严格限定所致.因此,提出了"反向区间数"的概念,利用该概念,能够给经典模糊分解定理、扩张原理新的表达形式.之后,分别以正(反)向区间为基础,分析模糊数的结构元表达形式,得到正(反)向区间对应结构元理论中单调增(减)函数.定义了反向区间数和反向区间数加、乘运算法则,利用结构元理论,证明了正、反向模糊数的加、乘运算解析表达式,得到了模糊方程解的判断定理.在保持传统运算法则不变的同时,对模糊数概念进行正(反)向的表述,并定义了二者的运算法则,这拓展了传统模糊数解的空间,进而解决模糊方程求解、不可逆等问题.通过算例看出,这两种表述在实际的计算过程中具有明显的意义.     

高压拉曼光谱方法研究卟啉J-聚集体

本文利用金刚石对顶砧(DAC)和拉曼光谱技术,测量了四苯基卟啉J聚集体在13GPa内的高压拉曼光谱,根据各个拉曼谱带的频移-压强变化曲线得出在13GPa内Tpp J聚集体无相变发生,并且高波数(1010～1600cm-1)和低波数(230～330cm-1)区的斜率要远大于中等波数(380～1000cm-1)区,这表明对应于高波数和低波数区的化学键比中等波数区更具有易压缩性,并对体积的减小起着重要的作用。根据苯环ψ3C-C面内伸缩振动模式强度逐渐增强的现象提出了分子弹簧垫圈模型。此外,这种分子弹簧垫圈的劲度系数可以通过中位取代基团调控。     

温度对β胡萝卜素结构有序的影响

本文测量了全反式β胡萝卜素在二甲基亚砜中81–25 ℃ 范围的紫外–可见吸收和拉曼光谱. 结果表明, 随温度降低, 紫外–可见吸收光谱、拉曼光谱都发生红移, 拉曼光谱线型变窄, 散射截面增加这些现象的发生是由于随温度降低, β胡萝卜素分子的热无序降低、分子结构有序性增加、π电子离域扩展, 有效共轭长度增加, 分子的电子能隙变窄. 另外, 随着温度的降低, 溶剂密度增加, 由Lorentz-Lorenz 关系得知相伴的折射率增加, 从而引起吸收光谱的红移. CC键键长增加, 使CC 键拉曼光谱红移; 振动弛豫时间变长, 各CC 键之间的键长差减小, 线宽变窄; 但由于声子, π电子耦合加强使CC键拉曼线型不对称程度增加, 低频端"肩"扩展, CC键的弱阻尼相干振动增加, 使拉曼散射截面增加. 关键词： β胡萝卜素 分子结构有序 红移 拉曼散射截面     

A polyene chain of canthaxanthin investigated by temperature-dependent resonance Raman spectra and density functional theory （DFT） calculations

We report on a temperature-dependent resonance Raman spectral characterization of the polyene chain of canthax- anthin. It is observed that all vibrational intensities of the polyene chain are inversely proportional to temperature, which is analyzed by the resonance Raman effect and the coherent weakly damped electron/lattice vibrations. The increase in intensity of the CC overtone/combination relative to the fundamental with temperature decreasing is detected and discussed in terms of electron/phonon coupling and the activation energy Uop. Moreover, the polyene chain studies using the density functional theory B3LYP/6-31 G＊ level reveal a prominent peak at 1525 cm-1 consisting of two closely spaced modes that are both dominated by C=C stretching coordinates of the polyene chain.     

空间太阳极紫外三波段成像光谱仪系统设计

太阳上层大气,即日冕、过渡区和色球,是由炽热的高度动态的磁化等离子体构成,其中高度电离的离子发射出丰富的极紫外谱线。空间太阳极紫外光谱成像观测对于捕获太阳上层大气中爆发活动的动态物理演化过程,以及实现对大气等离子体特征参数的精确测量具有重要的意义。然而现有的极紫外光谱成像仪器只能针对太阳上层大气的一个或两个目标区域进行成像观测,缺乏采用单一仪器对整个太阳上层大气区域在大空间和宽波段尺度范围内的光谱进行诊断的能力,严重制约了人们对太阳爆发活动中的能量及物质输运过程的理解。为了利用单个仪器实现对日冕、过渡区和色球的高分辨率同时诊断观测,本文提出并设计了一款同时工作在17～21 nm、70～80 nm和95～105 nm三个波段的太阳极紫外成像光谱仪,该仪器基于非罗兰圆结构下的椭球面变线距（EVLS）光栅像差校正理论,采用狭缝扫描式成像光谱结构,实现了具有大离轴狭缝视场的高空间、高光谱分辨的消像散光谱成像。基于蒙特卡罗统计模拟方法对太阳极紫外三波段成像光谱仪的最优模型开展光线追迹仿真实验,仿真结果表明,所设计的成像光谱仪取得了良好的光栅像差校正效果,系统空间分辨率优于0.6″,光谱分辨率在1...     

飞秒激光诱导硒化锌晶体表面自组织生长纳米结构

 以250 kHz高重复频率钛宝石飞秒激光聚焦到硒化锌晶体表面,利用扫描电子显微镜观测飞秒激光辐照后晶体的表面结构。发现线偏振激光辐照的区域形成了自组织周期性纳米结构,其周期为160 nm左右,并且可以通过改变激光的偏振方向调节纳米光栅结构的取向;当晶体相对于激光光束以10 mm/s速度移动,经激光扫描后,在晶体表面形成了长程类布拉格光栅。当飞秒激光光束为圆偏振光时,辐照区域形成均匀的纳米颗粒。