电子背散衍射花样的数学特征

电子背散衍射(EBSD)花样揭示了材料的物相成分、晶体结构、晶粒取向、晶粒大小和晶界的信息。EBSD花样非常复杂,通常需要借助专门的计算软件才能解析。本文系统地研究了EBSD花样的数学特征,建立了任意晶体取向与EBSD花样之间的数理关系,推导了面心立方、体心立方和六方晶体的基本晶带轴的理论EBSD花样的数学特征,以及面心立方晶体的(001)<110>取向和(001)<100>取向的理论菊池(Kikuchi)花样特征。在实测EBSD花样的分析中与各晶系各点阵的基本晶带轴的理论EBSD花样特征比较,即通过图像特征对比,就可以直接确定实测EBSD花样所属的晶系、点阵和Kikuchi线交点对应的晶带轴[uvw],再由基本晶带轴的坐标计算出晶体取向,还能提供基本晶面信息,如原子密排晶面在样品中的空间分布,这有利于晶体的变形或生长机理研究。EBSD为单晶芯片质量检验提供了新方法。     

艾奇逊炉提纯碳纳米管的组织结构性能表征

碳纳米管作为锂离子电池正极导电剂已经在中国得到了普遍应用,作为电池导电剂的碳纳米管需要提纯处理.本文研究了利用艾奇逊炉对化学气相沉积的碳纳米管在3 000℃进行提纯处理后的组织结构和电学性能,利用扫描电子显微镜(SEM),电子能谱仪(EDS),等离子体发射光谱仪(ICP),红外光谱仪(FT-IR),热重分析仪(TGA),X射线光电子谱仪(XPS),拉曼光谱分析仪,四探针薄膜电阻仪对艾奇逊炉提纯的碳纳米管进行了检测.结果 表明高温提纯的碳纳米管的含铁量可降低到71 ppm,氧化物含量低于0.45wt;,晶格缺陷大幅减少,石墨组织结构完整,表面官能团少,具有体积电阻率0.050 ～0.035 Ω·cm,作为电池电极的导电材料,可以用于动力电池正极.     

Systematic characterization of the covalent interactions between (−)‐epigallocatechin gallate and peptides under physiological conditions by mass spectrometry

(?)‐Epigallocatechin gallate (EGCG) is a major bioactive component in leaves of green tea, and has been widely investigated for its anti‐tumor activity. The interaction between EGCG and the key peptides or proteins (e.g. glutathione, enzymes) in vivo is thought to be involved in the toxicity and anti‐cancer mechanism of EGCG. However, the true anti‐tumor mechanism of EGCG is not clear, and few studies have focused on the reactivity of EGCG toward peptides or proteins under physiological conditions (pH 7.4, 37°C). In this work, the covalent interactions between EGCG and model peptides containing one or more nucleophilic residues (i.e. Arg, Cys, Met, and α‐NH₂ of the N‐terminus of peptides) under physiological condition were fully characterized using mass spectrometry. It was found that EGCG can react with the thiol groups of peptides to form adducts under physiological conditions (pH 7.4, 37°C), even in the absence of the peroxidase/hydrogen peroxide system. Besides the thiol groups of peptides, it is firstly reported that EGCG also reacts with α‐NH₂ of the N‐terminus or arginine residues of model peptides to form Schiff base adducts, and the methionine residues of model peptides can be easily oxidized by hydrogen peroxide (H₂O₂) generated during the process of EGCG auto‐oxidation to form methionine sulfoxide products. The preference for the reaction of nucleophlic residues of peptides with EGCG was determined to have the following order: Cys > α‐NH₂ of the N‐terminus > Arg. The neutral loss ions of [M+H–170]⁺ and [M+H‐138]⁺ were detected in all tandem mass spectra of the EGCG adducts of peptides, which indicates that these two neutral loss ions can be considered as the characteristic neutral loss ions of peptides modified by EGCG. Results of the present research provide insights into the toxicology and anti‐tumor mechanism of EGCG in vivo. Copyright © 2009 John Wiley & Sons, Ltd.     

聚合物梯度折射率微球透镜的研制

选取高分子单体组合,用悬浮扩散共聚法研制具有球对称梯度折射率(Gradient Refractive Index,GRIN)的微型聚合物球透镜.用剪切干涉法测定微透镜试样的折射率剖面,根据分布曲线的特征调整、优化制备工艺条件,成功获得直径0.3～1.4 mm、透明、在半径的全程范围具有球对称折射率梯度,折射率差ΔN为0.006～0.014的微型聚合物球透镜.     

Direct Electrochemistry of Horseradish Peroxidase Immobilized in Calcium Carbonate Microsphere Doped with Phospholipids

Protein electrochemistry affords a direct method to study the biological electron transfer processes. However, supplying a biocompatible environment to maintain the native state of protein is all‐important and challengeable. Here, we chose vaterite, one of the crystalline polymorphs of calcium carbonate, with highly porous nature and large specific surface area, which was doped with phospholipids, as the matrix to immobilize horseradish peroxidase (HRP). The integrity of HRP was kept during the simple immobilization procedure. By virtue of this organic/inorganic complex matrix, the direct electrochemistry of HRP was realized, and the activity of HRP for catalyzing reduction of O₂ and H₂O₂ was preserved.     

DFT Investigation of Nuclear 14N Quadrupole Coupling Constants for Four HMX Polymorphs

Density functional theory investigation of ¹⁴N nuclear quadrupole coupling constants (NQCC) for HMX polymorphs was performed. During the calculation of NQCC and asymmetry parameter (η) of β‐HMX, single molecule model is found to be worse than cluster model. The calculated results are more sensitive to the proper model than to the basis set. The calculation for β‐HMX using cluster model at B3LYP/6‐311++G(d,p) level gives better agreement with experiment. This approach was subsequently applied to α, γ, and δ‐HMXs. The difference of simulated ¹⁴N NQR frequency was found. The NQR spectrum is useful for the study of explosive or propellant on their detection, phase transition, and aging process.     

Immobilization of <Emphasis Type="Italic">Aspergillus niger</Emphasis> Xylanase on Chitosan Using Dialdehyde Starch as a Coupling Agent

Dialdehyde starch (DAS) was used as a novel coupling agent to prepare chitosan carrier to immobilize the xylanase from Aspergillus niger A-25. Compared with glutaraldehyde-cross-linked chitosan (CS-GA) and pure chitosan beads, the DAS-cross-linked chitosan (CS-DAS) beads exhibited the highest xylanase activity recovery. The DAS adding amount and cross-linking time in CS-DAS preparation process were optimized with respect to activity recovery to the values of 1.0 g (6.7% w/v concentration) and 16 h, respectively. The optimum temperature of both the CS-DAS- and CS-GA-immobilized xylanase was observed to be 5 °C higher than that of free enzyme (50 °C). The CS-DAS-immobilized xylanase had the highest thermal and storage stability as compared to the CS-GA-immobilized and free xylanase. The apparent K _m and V _max values of the CS-DAS-immobilized xylanase were estimated to be 1.29 mg/ml and 300.7 μmol/min/mg protein, respectively. The CS-DAS-immobilized xylanase could produce from birchwood xylan high-quality xylo-oligosaccharides, mainly composed of xylotriose, as free xylanase did. The proposed CS-DAS carrier was more advantageous over the CS-GA or pure chitosan carrier for xylanase immobilization application.     

Gap Solitons in Fractional Dimensions With a Quasi‐Periodic Lattice

The existence and stability of gap solitons in the nonlinear fractional Schrödinger equation are investigated with a quasi‐periodic lattice. In the absence of nonlinearity, the exact band‐gap spectrum of the proposed system is obtained, and it is found that the spectrum gap size can be adjusted by the sublattice depth and the Lévy index. Under self‐defocusing nonlinearity, both in‐phase and out‐of‐phase gap solitons have been searched in the first four gaps. It is revealed that in‐phase gap solitons are generally stable in wide regions of their existence, whereas stable out‐of‐phase gap solitons can only exist in the fourth spectrum gap. Linear stability analysis of gap solitons is in good agreement with their corresponding nonlinear evolutions in fractional dimensions. The presented numerical findings may lead to interesting applications, such as transporting of light beams through the optical medium, and other areas connected with the Kerr effect and fractional effect.