Comparative analysis of allantoin quercetin, and 1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid in Nitraria tangutorum Bobr. Seed by HPLC-APCI-MS and CE

This paper describes the simultaneous determination of allantoin, quercetin, and 1-methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid (MTCCA) in Nitraria tangutorum Bobr seed by HPLC-APCI-MS and CE (capillary electrophoresis) methods. The final optimized chromatographic conditions were investigated in a reversed-phase Eclipse XDB-C8 column (150 x 4.6 mm, 5 mu m). A seventeen-minute gradient elution, (A: aqueous acetonitrile 20% (v/v); B: aqueous acetonitrile 60% (v/v); C: pure acetonitrile 100%) at a flow rate of 1.0 mL/min was selected for the separation of three natural products with diode array detection (DAD) at 220 nm. A CE experiment was carried out in a fused silica capillary with 32 mmol/L boric acid (pH 10), 32 mmol/L SDS and acetonitrile (10.0%, v/v). The applied potential and temperature was, respectively, set at 19 kV and 25 degrees C. After development, the validation was performed in parallel for HPLC and CE, with the same standards and sample to avoid differences due to the manipulation. The validation parameters of both techniques were adequate for the intended purpose.

Three-dimensional finite element analysis of composites with coated spherical inclusions

A three-dimensional finite element analysis has been used to determine the internal stresses in a three-phase composite. The stresses have been determined for a variety of interphase properties, the thicknesses of the interphase and the volume fractions of particles. Young's modulus has been calculated from a knowledge of these stresses and the applied deformation. The calculations show that stress distributions in the matrix and the mechanical properties are sensitive to the interphase property in the three-phase composites. The interfacial stresses in the three-dimensional analysis are in agreement with results obtained by an axisymmetric analysis. The predicted bulk modulus in three-dimensional analysis agrees well with the theoretical solution obtained by Qui and Weng, but it presents a great divergence from that in axisymmetric analyses. An investigation indicates that this divergence may be caused by the difference in the unit cell structure between two models. A comparison of the numerically predicted bulk and shear modulus for two-phase composites with the theoretical results indicates that the three-dimensional analysis gives quite satisfactory results.

Spectral analysis and control to obtain sub-5 fs pulses by femtosecond filamentation

A spectral-filter method is numerically demonstrated to obtain sub-5 fs pulses by using femtosecond filamentation in fused silica. Instead of employing spectral phase compensation, by properly employing a high-pass filter to select the broadened high-frequency spectra that are located almost in phase in the tailing edge of the self-compressed pulses owing to self-steepening, as short as single-cycle pulses can be obtained. For instance, for an input pulse with a duration of 50 fs and energy 2.2 mu J, the minimum pulse duration can reach to similar to 4 fs (about 1.5 cycles) by applying a proper spectral filter. (C) 2008 Optical Society of America

A four-phase confocal elliptical cylinder model for predicting the effective thermal conductivity of coated fibre composites

A four-phase confocal elliptical cylinder model is proposed from which a generalised self-consistent method is developed for predicting the thermal conductivity of coated fibre reinforced composites. The method can account for the influence of the fibre section shape ratio on conductivity, and the physical reasonableness of the model is demonstrated by using the fibre distribution function. An exact solution is obtained for thermal conductivity by applying conformal mapping and Laurent series expansion techniques of the analytic function. The solution to the three-phase confocal elliptical model, which simulates composites with idealised fibre-matrix interfaces, is arrived at as the degenerated case. A comparison with other available micromechanics methods, Hashin and Shtrikman's bounds and experimental data shows that the present method provides convergent and reasonable results for a full range of variations in fibre section shapes and for a complete spectrum of the fibre volume fraction. Numerical results show the dependence of the effective conductivities of composites on the aspect ratio of coated fibres and demonstrate that a coating is effective in enhancing the thermal transport property of a composite. The present solutions are helpful to analysis and design of composites.

三相电压型PWM整流器及其控制策略研究

本文分析了三相电压型PWM整流器在abc、DQ、dq坐标系下的数学模型，开发了基于MATLAB／SIMULINK的三相PWM整流器仿真模块，仿真结果表明基于dq同步旋转坐标系的整流器数学模型是正确的，并具有独特优点。对常用空间电压矢量控制策略进行分析，给出了合成电压矢量的不同方法；分析了固定开关频率的电流预测控制原理。分析了电流环的控制策略，推导出电流环和电压环PI参数与整流器主电路各参数之间的关系。设计了双闭环控制PWM整流器系统的硬件、软件，实现解藕整流器输入电流，并完成了系统仿真，仿真结果表明电压和电流双闭环P1参数选择的合理性以及整个系统的可行性。

Theoretical representation of shear and pressure influence on the phase separation behavior of PVME/PS mixture

In the framework of lattice fluid model, the Gibbs energy and equation of state are derived by introducing the energy (E-s) stored during flow for polymer blends under shear. From the calculation of the spinodal of poly(vinyl methyl ether) (PVME) and polystyrene (PS) mixtures, we have found the influence of E., an equation of state in pure component is inappreciable, but it is appreciable in the mixture. However, the effect of E, on phase separation behavior is extremely striking. In the calculation of spinodal for the PVME/PS system, a thin, long and banana miscibility gap generated by shear is seen beside the miscibility gap with lower critical solution temperature. Meanwhile, a binodal coalescence of upper and lower miscibility gaps is occurred. The three points of the three-phase equilibrium are forecasted. The shear rate dependence of cloud point temperature at a certain composition is discussed. The calculated results are acceptable compared with the experiment values obtained by Higgins et at. However, the maximum positive shift and the minimum negative shift of cloud point temperature guessed by Higgins are not obtained, Furthermore, the combining effects of pressure and shear on spinodal shift are predicted.

Tensile modulus of polymer nanocomposites

Based on Takayanagi's two-phase model, a three-phase model including the matrix, interfacial region, and fillers is proposed to calculate the tensile modulus of polymer nanocomposites (E-c). In this model, fillers (sphere-, cylinder- or plate-shape) are randomly distributed in a matrix. If the particulate size is in the range of nanometers, the interfacial region will play an important role in the modulus of the composites. Important system parameters include the dispersed particle size (t), shape, thickness of the interfacial region (tau), particulate-to-matrix modulus ratio (E-d/E-m), and a parameter (k) describing a linear gradient change in modulus between the matrix and the surface of particle on the modulus of nanocomposites (E-c). The effects of these parameters are discussed using theoretical calculation and nylon 6/montmorillonite nanocomposite experiments. The former three factors exhibit dominant influence on E-c At a fixed volume fraction of the dispersed phase, smaller particles provide an increasing modulus for the resulting composite, as compared to the larger one because the interfacial region greatly affects E-c. Moreover, since the size of fillers is in the scale of micrometers, the influence of interfacial region is neglected and the deduced equation is reduced to Takayanagi's model. The curves predicted by the three-phase model are in good agreement with experimental results. The percolation concept and theory are also applied to analyze and interpret the experimental results.

Probability distribution of the four-phase structure invariants of isomorphously related structure factors and its applications

The probability distribution of the four-phase structure invariants (4PSIs) involving four pairs of structure factors is derived by integrating the direct methods with isomorphous replacement (IR). A simple expression of the reliability parameter for 16 types of invariant is given in the case of a native protein and a heavy-atom derivative. Test calculations on a protein and its heavy-atom derivative using experimental diffraction data show that the reliability for 4PSI estimates is comparable with that for the three-phase structure invariants (3PSIs), and that a large-modulus invariants method can be used to improve the accuracy.

Probabilistic distribution of one-phase structure seminvariants for an isomorphous pair of structures: Theoretical basis and initial applications

Given a special type of triplet of reciprocal-lattice vectors in the monoclinic and orthorhombic systems, there exist eight three-phase structure seminvariants (3PSSs) for a pair of isomorphous structures. The first neighborhood of each of these 3PSSs is defined by the six magnitudes and the joint probability distribution of the corresponding six structure factors is derived according to Hauptman's neighborhood principle. This distribution leads to the conditional probability distribution of each of the 3PSSs, assuming as known the six magnitudes in its first neighborhood. The conditional probability distributions can be directly used to yield the reliable estimates (0 or pi) of the one-phase structure seminvariants (1PSSs) in the favorable case that the variances of the distributions happen to be small [Hauptman (1975). Acta Cryst. A31, 680-687]. The relevant parameters in the formulas for the monoclinic and orthorhombic systems are given in a tabular form. The applications suggest that the method is efficient for estimating the 1PSSs with values of 0 or pi.

ESTIMATION OF THE ONE-PHASE STRUCTURE SEMINVARIANTS IN THE SINGLE ISOMORPHOUS REPLACEMENT CASE - AN APPLICATION OF HAUPTMANS DISTRIBUTION

A method for estimating the one-phase structure seminvariants (OPSSs) having values of 0 or pi has been proposed on the basis of the probabilistic theory of the three-phase structure invariants for a pair of isomorphous structures [Hauptman (1982). Acta Cryst. A38, 289-294]. The test calculations using error-free diffraction data of protein cytochrome c(550) and its PtCl42- derivative show that reliable estimates of a number of the OPSSs can be obtained. The reliability of the estimation increases with the increase of the differences between diffraction intensities of the native protein and its heavy-atom derivative. A means to estimate the parameters of the distribution from the diffraction ratio is suggested.

俯冲带深部流体特征——以西南天山变质俯冲杂岩为例

The subduction zone is an important site of the fluid activity and recycling of chemical elements. The fluid characteristic of deep subduction zones is a top scientific problem attracting the petrologists, geochemists and tectonists. In this dissertation, the characteristics of fluid activity within a deep subduction zone have been explored on the basis of the studies on the petrography, mineral chemistry, fluid inclusions, geochemistry and metamorphic P–T conditions of the omphacite-bearing high-pressure veins and related hosts from the low-temperature/high-pressure metamorphic belt in southwestern Tianshan, China. Multiple high-pressure veins are exposed in host eclogites and blueschists. The veins are composed predominantly of omphacite, garnet, quartz, and other minerals. Some veins contain cm-sized rutiles. In general, the vein can be divided into three types, the ‘in situ dehydration’ vein, the ‘external transport’ vein and the ‘composite’ vein. The omphacites within the veins and related host rocks contain lots of two-phase or three-phase primary fluid inclusions. The final melting temperature (Tfm) of fluid inclusions varies mainly from -0.6 to -4.3 °C, the homogeneous temperature (Th) varies from 185 to 251 °C, the salinity varies from 1.1 to 6.9 wt.% NaCl equivalent and the density varies from 0.81 to 0.9 g/cm3. The fluids were released under the conditions of T = 520–580°C and P = 15–19 kbar at blueschist facies to eclogite facies transition. The fluids include not only Li, Be, LILE, La, Pb-enriched and HFSE- and HREE-depleted aqueous fluids but also HFSE (Ti-Nb-Ta)-rich aqueous fluids. The complex composed of aluminosilicate polymers and F was the catalyst which had caused the Ti-Nb-Ta to be dissolved into the fluids. During the transport of the LILE-rich and HFSE- and HREE-poor fluids, they can exchange some chemical elements with country rocks and leach some trace elements in some extent. The rutile could be precipitated from the HFSE (Ti-Nb-Ta)-rich aqueous fluids when CO2 was added into the fluids. The host rocks could obtain some elements, such as Ca, Cs, Rb, Ba and Th, from the external fluids. The fluids with complex composition had been released within the deep subduction zone (>50 km) in Early Carboniferous during the subduction of the South Tianshan Ocean under the Yili–Central Tianshan Plate. The results obtained in this dissertation have made new progress compared with the published data (e.g. Tatsumi, 1989; Becker et al., 1999; Scambelluri and Philippot, 2001; Manning, 2004; Hermann et al., 2006; Spandler and Hermann, 2006).

A generalized self-consistent method accounting for fiber section shape

A three-phase confocal elliptical cylinder model is proposed for fiber-reinforced composites, in terms of which a generalized self-consistent method is developed for fiber-reinforced composites accounting for variations in fiber section shapes and randomness in fiber section orientation. The reasonableness of the fiber distribution function in the present model is shown. The dilute, self-consistent, differential and Mori-Tanaka methods are also extended to consider randomness in fiber section orientation in a statistical sense. A full comparison is made between various micromechanics methods and with the Hashin and Shtrikman's bounds. The present method provides convergent and reasonable results for a full range of variations in fiber section shapes (from circular fibers to ribbons), for a complete spectrum of the fiber volume fraction (from 0 to 1, and the latter limit shows the correct asymptotic behavior in the fully packed case) and for extreme types of the inclusion phases (from voids to rigid inclusions). A very different dependence of the five effective moduli on fiber section shapes is theoretically predicted, and it provides a reasonable explanation on the poor correlation between previous theory and experiment in the case of longitudinal shear modulus.

Sedimentation Process of Saturated Sand under Impact Loading

The initial small inhomogeneity of saturated sand could be amplified during the sedimentation process after liquefaction, and cracks could be observed in the sand column. Layers of fine sand could also be found at the exact place where cracks developed and disappeared. The phenomena and the whole process were experimentally shown by X-rays images. To account for the phenomena, a linearized stability analysis of the sedimentation of saturated sand was conducted; however, it did not produce a satisfactory result. A three-phase flow model describing the transportation of fine sand is presented in this paper. It is shown that such a kind of erosion/deposition model was qualitatively in good agreement with the experimental observation.

Comparison Of The Quasi-Static Method And The Dynamic Method For Simulating Fracture Processes In Concrete

Concrete is heterogeneous and usually described as a three-phase material, where matrix, aggregate and interface are distinguished. To take this heterogeneity into consideration, the Generalized Beam (GB) lattice model is adopted. The GB lattice model is much more computationally efficient than the beam lattice model. Numerical procedures of both quasi-static method and dynamic method are developed to simulate fracture processes in uniaxial tensile tests conducted on a concrete panel. Cases of different loading rates are compared with the quasi-static case. It is found that the inertia effect due to load increasing becomes less important and can be ignored with the loading rate decreasing, but the inertia effect due to unstable crack propagation remains considerable no matter how low the loading rate is. Therefore, an unrealistic result will be obtained if a fracture process including unstable cracking is simulated by the quasi-static procedure.

Lattice type of fracture model for concrete

Concrete is usually described as a three-phase material, where matrix, aggregate and interface zones are distinguished. The beam lattice model has been applied widely by many investigators to simulate fracture processes in concrete. Due to the extremely large computational effort, however, the beam lattice model faces practical difficulties. In our investigation, a new lattice called generalized beam (GB) lattice is developed to reduce computational effort. Numerical experiments conducted on a panel subjected to uniaxial tension show that the GB lattice model can reproduce the load-displacement curves and crack patterns in agreement to what are observed in tests. Moreover, the effects of the particle overlay on the fracture process are discussed in detail. (C) 2007 Elsevier Ltd. All rights reserved.