Laserspektroskopie

X-Ray spectra and chemical binding     

原子的解析波函数

我们设计了一套变分波函数,用来计算了周期表中前面十个原子的能量。我们设计的单电子试探波函数具有下列形式:1s:ψ₁(r)=N₁e^-μαr[1+(μbr)²], 2s:ψ₂(r)=N₂[(μr)e^-μr-Ne^-μcr], 2p:ψ₃(r)=N₃(μdr)cosθe^-μdr, ψ₄(r)=N₄(μdr)sinθe^iφ-μdr, ψ₅(r)=N₅(μdr)sinθe^-iφ-μdr。式中的a,b,c,d及μ为五个变分参数。N₁,N₂,N₃,N₄与N₅为归一化因子;N由ψ₁与ψ₂的正交条件来决定。用这种波函数来计算原子的能量,所得的结果比莫尔斯等人(P.M.Morse,L.A.Young and E.S.Haurwitz)用他们设计的四参数波函数所算得的结果为好,更接近实验值,同时也接近于由自洽场所算出的结果。若我们的波函数中固定c等于1不变,这时就变为只有四个参数的波函数,结果仍比莫尔斯等人的好。     

A convenient preparation of xanthene dyes

A facile synthetic route utilizing readily available reagents affords a series of regioisomerically pure xanthene dye derivatives. Advantages include relatively mild conditions and good to excellent yields. Nonpolar, highly crystalline intermediates are isolable by standard chromatographic techniques. The intermediates are in the requisite xanthene oxidation state, thus avoiding the need for relatively inefficient oxidation chemistry and/or harsh conditions. During the course of this work, a new boron-mediated 1,2-aryl migration reaction was discovered.     

A Novel Nano-Sensor Based on Rhodamine-β-Isothiocyanate – Doped Silica Nanoparticle for pH Measurement

A novel and simple enzymatic method for the determination of trace cyanide in marine fish is presented. This method is based on the conversion of metal-cyanide complexes by a fungal enzyme extract containing cyanide hydratase (E.C. 4.2.1.66; CyHT) and formamidase (E.C. 3.5.1.49) into formate and ammonia. The formate produced in the sample pretreated with the fungal enzymes was measured by adding formate dehydrogenase (E.C. 1.2.1.2; FDH) and excess NAD⁺. The NADH formed accordingly was monitored at 340nm. The cyanide calibration curve was found to be linear in the range of 10–100µM, and the detection limit was 1.1µM (0.0286ppm). The proposed biotest was successfully applied to the determination of trace cyanide in a tropical marine food fish species (Russells Snapper (Lutjamus russellii)) which had been exposed to cyanide.     

Ultrafast solvation dynamics of human serum albumin: correlations with conformational transitions and site-selected recognition

Human serum albumin, the most abundant protein found in blood plasma, transports a great variety of ligands in the circulatory system and undergoes reversible conformational transitions over a wide range of pH values. We report here our systematic studies of solvation dynamics and local rigidity in these conformations using a single intrinsic tryptophan (W214) residue as a local molecular probe. With femtosecond resolution, we observed a robust bimodal distribution of time scales for all conformational isomers. The initial solvation occurs in several picoseconds, representing the local librational/rotational motions, followed by the dynamics, in the tens to hundreds of picoseconds, which result from the more bonded water in the tryptophan crevice. Under the physiological condition of neutral pH, we measured approximately 100 ps for the decay of the solvation correlation function and observed a large wobbling motion at the binding site that is deeply buried in a crevice, revealing the softness of the binding pocket and the large plasticity of the native structure. At acidic pH, the albumin molecule transforms to an extended conformation with a large charge distribution at the surface, and a similar temporal behavior was observed. However, at the basic pH, the protein opens the crevice and tightens its globular structure, and we observed significantly faster dynamics, 25-45 ps. These changes in the solvation dynamics are correlated with the conformational transitions and related to their structural integrity.     

液下阴极放电等离子体的发射光谱诊断

基于尖端放电的原理,在2 g/L Na2SO4溶液中,以铂棒为阳极、针状铂电极为阴极,建立了 一种液下阴极放电等离子体诊断装置.利用直流电源的电流和电压示数绘制了电流-电压特性曲线,光纤光谱仪测量了 200～1 070 nm的发射光谱,普通相机拍摄了不同放电电压下的放电图斑.根据发射光谱数据,估算了电子温度、转动温度和...     

Polarization phase-shifting Jamin shearing interferometer

The Jamin shearing interferometer is very useful in wavefront testing, especially for the low coherent light. Based on this interferometer, a polarization phase-shifting Jamin shearing interferometer is proposed to improve the performance. In the interferometer, two interference beams are linearly polarized and a polarization phase shifter is applied to realize the phase shifting. Different types of configurations of the interferometer are given. With phase-shifting interferograms, the precision of the interferometer can be improved. The interferometer is kept as an equal optical path system and its shearing amount remains changeable with simple structure and easy operation. In experiments, phase-shifting interferograms are obtained by rotating the analyzer. The usefulness of the interferometer is verified.     

Synthesis of Poly(3,4-ethylenedioxythiophene) Hollow Spheres in CTAB/DBS — Mixed Surfactant Solutions

Summary: Hollow microspheres of PEDOT (poly(3,4-ethylenedioxythiophene) ranging from 0.5 to 10 µm have been synthesized by chemically oxidative polymerization of EDOT(3,4-ethylenedioxythiophene) using ammonium persulfate in a catanionic surfactant solution obtained by mixing cetyltrimethylammonium bromide (CTAB) and sodium dodecylbenzenesulfonate (SDBS). The effect of the molar ratio of CTAB to SDBS on the morphology of the PEDOT oxidation products has been investigated using SEM and TEM and by an analysis of the structural properties using UV-visible, FTIR and Raman spectroscopies, elemental analysis and conductivity measurements. The electro-catalytic activity of PEDOT hollow microspheres for the oxidation of ascorbic acid was investigated by cyclic voltammetry in a pH 6 citrate/phosphate buffer solution and compared to the activity of granular PEDOT particles formed in the absence of the catanionic surfactant.     

Spectral Database Systems: A Review

Abstract: Spectroscopy has been demonstrated to be an important method of analysis and detection. A spectral database system (SDBS) can not only satisfy the traditional requirements for spectral management but also provides several new functions, including spectra sharing on the website and web-based and real-time analysis and detection. Chemists and spectroscopists could analyze and detect pure materials and some mixtures rapidly with the help of standard SDBS, and now they are trying to improve these systems to fulfill rapid analysis for complex mixtures, even those as complex as agro-products. Overall, SDBS make it possible to analyze and detect unknown samples rapidly and nondestructively. This article focuses on significant progress in research on infrared (IR), near-infrared (NIR), and Raman SDBSs. Additionally, the drawbacks and obstacles of SDBSs are summarized and trends are discussed.     

Almost periodic solution for Nicholson’s blowflies model with patch structure and linear harvesting terms

In this paper, we study the existence and exponential convergence of positive almost periodic solutions for a class of Nicholson’s blowflies model with patch structure and multiple linear harvesting terms. Under appropriate conditions, we establish some criteria to ensure that the solutions of this system converge locally exponentially to a positive almost periodic solution. Moreover, we give some examples and numerical simulations to illustrate our main results.