二氢黄酮类化合物的核磁共振碳谱模拟研究

采用表征分子内部化学微环境的结构描述子原子电负性作用矢量(Atomic Electronegativity Interaction Vector, AEIV)对255个共振碳原子进行了结构表征,应用多元线性回归技术建立了结构描述子AEIV与这些碳原子的¹³C NMR化学位移的定量相关模型.该定量结构谱图关系(定量构谱关系/QSSR)模型的复相关系数达到R_MM=0.915,标准偏差为SD_MM=14.879. 采用留一法交互检验的结果为R_CV=0.909,SD_CV=15.324. 结果表明,模型具有良好的估计力和稳定性.     

基于单边傅里叶变换的非马尔科夫自发辐射研究

基于单边傅里叶变换,本文提出一种研究辐射子的自发衰减动力学演化的普适方法.利用该方法研究了辐射子处于均匀介质、理想微腔和泄露微腔中的自发辐射动力学演化问题,最后并把这种方法用于处理光子带隙材料中的辐射动力学演化问题.结果表明:辐射子的自发辐射动力学特性由局域态密度决定,可以通过调控辐射子周围的局域态密度来调控辐射子的自发辐射特性,为实现新型的光电子器件提供了理论基础.该方法不仅适用于马尔科夫热库的情况也适用于非马尔科夫热库的情况.     

微波消解-火焰原子吸收光谱法测定三七中的微量元素

采用微波消解处理三七,用火焰原子吸收光谱法测定Mn、Zn、Cu、Fe4种微量元素的含量.三七中Mn、Zn、Cu、Fe含量分别为9.30、19.54、178.45、3.05μg· g-1.该方法加标回收率在98.1％-102.8％之间,方法简单、快捷、准确,可为三七的现代研究提供依据.     

溪黄草及其近缘种中微量元素含量的测定与分析

采用干式灰化法处理样品,HNO3溶解灰化残渣,用火焰发射法和火焰原子吸收光谱法测定了15个溪黄草及其近缘种中的K、Na、Ca、Mg、Fe、Mn和Cu共7种微量元素的含量。结果表明:溪黄草及其近缘种中含有丰富的K、Na、Ca、Mg、Fe、Mn和Cu等对人体有益的微量元素,各元素在实验范围内,线性关系良好,加标回收率在89.3%～100.0%之间,相对标准偏差(n=3)为0.2%～3.7%。     

ICP-AES测定电解镍中的杂质元素

采用电感耦合等离子体发射原子发射光谱法(ICP-AES)测定了电解镍中锰、磷、钴、铁、铜、镁、铝、锌、镉、硅和锡等11种元素的含量,对仪器各项参数进行优化,采用基体匹配办法克服基体干扰,通过选择合适的分析谱线和背景校正消除共存元素间干扰。方法应用于实际样品分析,11种元素的回收率为92.0%—107.0%,相对标准偏差0.3%—5.1%,测定结果与标准方法的测定值相符。     

火焰原子吸收光谱法测定马氏珠母贝与企鹅珍珠贝中的重金属镉

通过HNO3-HClO4混合酸消解样品,采用火焰原子吸收光谱法测定马氏珠母贝与企鹅珍珠贝中镉的含量.在最佳试验条件下,线性范围为0.05-1.00μg/mL,相关系数r=0.9998,检出限为0.00686μg/mL,测定结果的相对标准偏差均小于3％(n=6),加标回收率结果在96.77％-103.89％之间.该方法简便、快速,灵敏度高,准确性好,结果令人满意.     

Positron-Lithium Atom and Electron-Lithium Atom Scattering Systems at Intermediate and High Energies

The coupled-channel optical method is used to study positron scattering by atomic lithium at energies ranging from the ionization threshold to 60eV, The present method simultaneously treats the target channels and the positronium （Ps） channels in the coupled-channel method together with the continuum effects via an ab-initio optical potential. Ionization, elastic and inelastic cross sections in target channels, and the total cross section are also reported and compared with other theoretical and experimental data. A comparative study with the corresponding electron-lithium data is also reported.     

PLE spectra analysis of the sub-structure in the absorption spectra of CdSeS quantum dots

The semiconductor CdSeS quantum dots (QDs) embedded in glass are analysed by means of absorption spectra, photoluminescence (PL) spectra and photoluminescence excitation (PLE) spectra. The peaks of absorption spectra shift to lower energies with the size of QD increasing, which obviously shows a quantum-size effect. Using the PLE spectra, the physical origin of the lowest absorption peak is analysed. In PLE spectra, the lowest absorption peak can be deconvoluted into two peaks that stem from the transitions of 1S_3/2--1S_e and 2S_3/2--1S_e respectively. The measured energy difference between the two peaks is found to decrease with the size of QD increasing, which agrees well with the theoretical calculation for the two transitions. The luminescence peak of defect states is also analysed by PLE spectra. Two transitions are present in the PLE, which indicates that the transitions of 1S_3/2--1S_e and 2S_3/2--1S_e are responsible for the defect states luminescence.     

Tripartite Nonlinear Entangled State Representations in Quantum Mechanics

Based on the technique of integral within an ordered product of nonlinear bosonic operators we construct a kind of tripartite nonlinear entangled states, which can make up a complete set. As its application, we also derive nonlinear 3-mode charge-related entangled state. The essential point for constructing these states lies in choosing the appropriate charge operator.     

Uncertainty and Certainty Relations for Pauli Observables in Terms of Renyi Entropies of Order α∈ （0; 1]

We obtain uncertainty and certainty relations of state-independent form for the three Paufi observables with use of the Renyi entropies of order α∈ （0; 1]. It is shown that these entropic bounds are tight in the sense that they are always reached with certain pure states. A new result is the condition for equality in Renyi-entropy uncertainty relations for the Pauli observables. Upper entropic bounds in the pure-state case are also novel. Combining the presented bounds leads to a band, in which the rescaled average Renyi a-entropy ranges for a pure measured state. A width of this band is compared with the Tsallis formulation derived previously.