一种基于光谱分析的二元不完全重叠色谱峰的分离解析方法

基于二极管阵列检测器获得的色谱-光谱数据,建立了一种二元不完全重叠液相色谱峰的解析方法: 色谱数据经过去噪、归一化处理后,计算各时间点的光谱差异并进行系统聚类分析,提取特征光谱后,利用非负最小二乘法对色谱-光谱矩阵进行解析,得到基于特征光谱的流出曲线,进而得到分离后的色谱峰。将解析结果和纯标样的色谱峰进行比较,解析后的光谱图和纯标样的光谱图无显著差异,保留时间相差小于0.01 min。实验结果表明,该方法在二元不完全重叠液相色谱峰的解析方面能取得良好的效果。     

Synthesis and characterization of novel conjugated polymers based on 3-cyclobutene-1,2-dione moiety

Three novel conjugated polymers bearing 3,4-bis（4-hexylthiophen-2-yl）-3-cyclobutene-1,2-dione unit in their main chain have been synthesized successfully in good yields through Suzuki or Stille coupling reaction.Their molecular structures have been confirmed by FT-IR,¹H NMR and ¹³C NMR.All these copolymers exhibit broad and strong absorption bands in UV-vis region,and their optical band gaps are calculated to be 1.6-2.0 eV.suggesting that they have good coverage with the solar spectrum.These polymers have good thermostability and solubility in common organic solvents.Moreover,all these objective macromolecules possess high electron affinity of～3.8 eV determined from cyclic voltammetry measurement,implying that they are potential n-type polymeric photovoltaic materials.     

Direct ab initio dynamics study of radical C4H (X̃2Σ+) + CH4 reaction

The methane (CH(4)) hydrogen abstraction reaction by linear butadiynyl radical C(4)H (CCCCH) has been investigated by direct ab initio dynamics over a wide temperature range of 100-3000 K, theoretically. The potential energy surfaces (PESs) have been constructed at the CCSD(T)/aug-cc-pVTZ//BB1K/6-311G(d,p) levels of theory. Two different hydrogen abstraction channels by C(1) and C(4) of C(4)H (C(1)C(2)C(3)C(4)H) have been considered. The results indicate that the C(1) position of C(4)H is a more reactive site. The electron transfer behaviors of two possible channels are also analyzed by quasi-restricted orbital (QRO) in detail. The rate constants calculated by canonical variational transition-state theory (CVT) with the small-curvature tunneling correction (SCT) are in excellent agreement with available experimental values. The normal and three-parameter expressions of Arrhenius rate constants are also provided within 100-3000 K. It is expected to be helpful for further studies on the reaction dynamics behaviors over a wide temperature range where no experimental data is available so far.     

Preparation of hybrid mesoporous silica luminescent nanoparticles with lanthanide(III) complexes and their exhibition of white emission

We chose dipicolinic acid as a tridentate chelating unit featuring ONO donors to react with lanthanide(III) ions to yield tight and protective N(3)O(6) environments around the lanthanide(III) ions. We immobilized the lanthanide(III)-dipicolinic acid complexes on colloidal mesoporous silica with diameter smaller than 100 nm by a covalent bond grafting technique and obtained nearly monodisperse luminescent Eu-dpa-Si and Tb-dpa-Si functionalized hybrid mesoporous silica nanomaterials. These hybrid nanomaterials were characterized by powder X-ray diffraction, scanning electron microscopy, transmission electron microscopy, thermogravimetric analysis, nitrogen adsorption-desorption, and photoluminescence spectroscopic techniques. The hybrid mesoporous silica nanoparticles exhibit intense emission lines upon UV-light irradiation, owing to the effective intramolecular energy transfer from the chromophore to the central lanthanide Eu(3+) and Tb(3+) ions. Furthermore, the functionalized nanomaterials can be turned to white light materials after annealing at high temperature.     

水体重金属激光诱导击穿光谱定量分析方法对比研究

建立了适用于激光诱导击穿光谱探测的多元线性回归、神经网络回归和支持向量机回归三种定量反演算法模型, 以水体重金属Ni为例进行了回归实验测试和对比分析. 多元线性回归、神经网络回归和支持向量机回归的平均相对标准偏差分别为7.60%, 4.86%, 2.35%; 最大相对标准偏差分别为23.35%, 15.20%, 8.29%; 平均相对误差分别为25.98%, 10.58%, 2.72%, 最大相对误差分别为116.47%, 47.38%, 9.89%. 研究为进一步实现水中痕量金属元素的快速定量分析提供了方法和数据参考. 关键词： 光谱学 激光诱导击穿光谱 支持向量机回归 重金属     

高能重离子碰撞中末态粒子分布的非对称性

对Bevalac1.2A GeV Au+Au碰撞实验,根据以流方向为z轴的质心坐标系中末态粒子方位角分布的非对称性为极小的条件,确定了事件中五种质量范围(A=1,2,3,4,5-8)末态粒子的集合侧向流流角.在以流方向为z轴的质心坐标系中研究了不同质量末态粒子极角分布,结果表明质量越大的粒子在流方向分布得越集中,侧向流的“流”值越大.     

Laser diode pumped LNYAB self-frequency-doubling lasers

The LNYAB self-doubling laser pumped by (LD) has been developed for the first time. The properties of the lasers are much better than those of NYAB self-doubling lasers pumped by LD. The LNYAB self-doubling laser pumped by LD can be operated in TEM_(00) mode with threshold pumping power of 3.6mW which is lower than that of LD pumped NYAB self-doubling lasers by 74%. The output power is 29mW at 0.531μm in green region with optical-to-optical efficiency of 4.8% which is higher than that of NYAB self-doubling laser by 20%.     

A≈80区奇–奇核80,82Rb的晕带能谱计算

在A≈80区奇-奇核旋称反转问题上已提出几种机制,但没有一种理论推断是结论性的.在本工作中将角动量投影壳模型应用到^80,82Rb核,对组态为πg_9/2⊙νg_9/2的正宇称晕带和组态为π(p_1/2,p_3/2,f_5/2)⊙νg_9/2 的负宇称晕带理论计算和实验结果进行了比较,特别是对正宇称晕带中的signature反转机制进行了探讨.角动量投影壳模型计算显示正宇称晕带中的signature反转是原子核随自旋增加形状发生变化的信号,其间原子核从低自旋的长椭球变到高自旋的扁椭球.此外,还确定了此两带的原子核形状     

Nonlinear-Ion-Acoustic-Wave Instability, Threshold, Half Width of Trapped Region and Transition Region

Nonlinear Landau damping of ion acoustic wave (IAW) is one of the most important phenomena in the ionosphere and in space and laboratory plasma as well. The instability growth rate of the IAW with electron drift, the amplitude threshold for exciting the nonlinear effects, the half widths of the trapped region with the trapped electrons are studied experimentally. Under the experimental conditions, it is shown that there is a frequency range of 140--160 kHz, within which the growth rate has the largest value of about 6×10⁴--1.5×10⁵ s^-1. We obtain the transitional region width caused by collisions theoretically and experimentally, for the first time to our knowledge. The experimental results are in good agreement with the theoretical prediction.     

Preparations on Several GRIN Lenses

Gradient index materials have been developed from glass melting process to GRIN lenses. Two kinds of GRIN lenses have been fabricated by ion-exchange and glass fusion/diffusion. The main applications to GRIN lenses are demonstrated.