氩等离子体物态方程的TF简化模型

对于高温高压下氩等离子体的电离度和物态方程,本文给出了一种基于Thomas-Feimi(TF)统计模型的简化计算新方法:首先将TF模型电离势的数值结果进行函数逼近,给出一个便于数值求解的计算电离度的近似计算方法,并由此计算了局部热动平衡下的氩等离子体在10～1000 eV高温范围内的物态方程.计算结果与国外报道的其他几种理论模型的计算结果均符合很好,与实验值也吻合较好.本文所提出的简单模型也适用于计算混合物物态方程,可以在电磁发射技术领域中的强电离等离子体中有更为广阔的应用前景.     

Numerical Analysis and Simulation Analysis for Space‐Time Data

Spatio temporal dynamics of the positive column of a dc neon glow discharge is studied and investigated experimentally and theoretically. Spatio temporal analysis by means of biorthogonal decomposition method (BOD) gives insights into the mechanism of irregularity and can be employed for characterization of spatio‐ temporal complexity. In the weak nonlinear region, the wave dynamics is approximated by an amplitude equation of the Ginzburg‐Landau equation (CGLE) with complex coefficients and an additional integral term based on a fluid model. In the present work we deal with irregular spatio‐temporal data. A comparison between the numerical analysis of the experimental data and simulation results are studied. A good agreement between the dynamical behaviour for experimental space‐time data and theoretical simulation space‐time results was obtained. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Oscillation of the solutions of parabolic equations with nonlinear neutral terms

In the present paper the oscillatory properties of the solutions of parabolic equations with nonlinear neutral terms are investigated. Our approach is to reduce the multi-dimensional problem to a one-dimensional problem for delay differential inequalities.     

Molecular Spectroscopic Study on the Interaction between Heparin and Neutral Red

The interaction between heparin and neutral red was investigated by molecular spectroscopic methods. The change of all spectra suggested that positively charged neutral red had interacted with negatively charged heparin. The study of influence factors indicated that electrostatic force and hydrophobic bond might be involved in the interaction. The total binding number per disaccharide unit and intrinsic binding constant were obtained using Scatchard model.     

Measurement of caffeine and five of the major metabolites in urine by high-performance liquid chromatography/tandem mass spectrometry

Analysis of caffeine and its metabolites is of interest with respect to caffeine exposure, for kinetic and metabolism studies and for opportunistic in vivo estimation of drug metabolizing enzyme activity in humans and animals. For the latter, analysis is usually done by high-performance liquid chromatography (HPLC) with UV detection. However, this method is close to the detection limit for certain of the metabolites and requires very long chromatography, 30-60 min. We have developed a fast method for the quantification of caffeine and its metabolites 1-methylxanthine, 1-methyluric acid, 1,7-dimethyluric acid, 5-acetylamino-6-amino-3-methyluracil (AAMU) and 5-acetylamino-6-formylamino-3-methyluracil (AFMU) by HPLC tandem mass spectrometry (MS/MS) in urine that requires only its dilution with buffer and centrifugation before injection into the HPLC/MS/MS system. The chromatography lasts 7 min and is followed by 4.5 min for re-equilibration of the HPLC column, giving a total analysis time of 11.5 min. The method provides a great sensitivity improvement with detection limits for all analytes 相似文献   

Mass spectrometric analysis of low molecular mass polyesters by laser desorption/ionization on porous silicon

A low molecular mass polyester was analyzed by desorption/ionization on porous silicon (DIOS) mass spectrometry. The results were compared with those of matrix-assisted laser desorption ionization (MALDI) mass spectrometry using matrixes of alpha-cyano-4-hydroxycinnamic acid (CHCA) and 10,15,20-tetrakis(pentafluorophenyl)porphyrin (F20TPP). The CHCA matrix was not suitable for characterization of low molecular mass components of the polyester because the matrix-related ions interfered with the component ions. On the other hand, the F20TPP matrix showed no interference because no matrix-related ions appeared below m/z 822. However, the solvent selection for determining optimal conditions of sample preparation was limited, because F20TPP does not dissolve readily in any of the available organic solvents. In the DIOS spectra, the polymer ions were observed at high sensitivity without a contaminating ion. No matrix is needed for DIOS spectra of low molecular mass polyesters, facilitating sample preparation and selectivity of a precursor ion in post-source decay measurements.     

LC-MS/MS method for the confirmatory determination of aromatic amines and its application in textile analysis

A confirmation method for the determination of 18 aromatic amines originating from azo dyes after reductive cleavage was developed. The method is based on the use of high-performance liquid chromatography/tandem mass spectrometry with atmospheric-pressure chemical ionization. For the identification of the analytes one precursor ion and two daughter ions (multi-reaction monitoring, MRM) were selected and the LC-MS/MS parameters optimized to obtain high sensitivity and selectivity. The linear ranges varied from 0.1–1 to 30–50 g mL^–1 with correlation coefficients of 0.99 or better. The applicability of the method to determine o-tolidine (3,3-dimethylbenzidine) and 3,3-dimethoxybenzidine in textiles following reductive cleavage of acid red 114, trypan blue, and Chicago sky blue 6B was demonstrated.     

APPLICATION OF MSW-X_α METHOD WITH OVERLAPPING ATOMIC-SPHERE TO IONIZATION POTENTIALS FOR SOME PLANAR ORGANIC MOLECULES

Application of multiple scattered-wave X_α method with overlapping atomic-sphere to ionization potentials is reported for benzene, pyridine, pyrazine, pyrrole and imidazole. The calculated results show that the orbital charges in the intersphere region are non-negative and the energy levels get improvements in orderings.     

Synthesis of macrocyclic tetraamides derived from α-amino acids and their investigations using ESI-MS technique

Chiral α,ω-diesters react under high-pressure conditions (10 kbar) with α,ω-diamines to give chiral cyclic tetraamides of C₂-symmetry. The complexation properties of tetraamides towards alkali metal cations (Li⁺, Na⁺, K⁺, Rb⁺ and Cs⁺) were estimated on the basis of ESI-MS spectra.     

胺、醇、醚类化合物电离能的自相关拓扑研究

原子的染色序数 fi 定义为 :fi=gi·xi,式中 gi 为原子i在分子中的序数 ,xi 为其染色系数 .基于fi 建立改进的原子序数自相关拓扑指数mF ,其中的1F对烷烃及其衍生物具有良好的结构选择性 .使用第一电离能 (Ip)与0 F ,1F的数量关系模型对 32种脂肪族胺、醇、醚进行估算、预测 ,结果令人满意