含芴共轭单元的超支化聚合物的合成及表征

以芴和季戊四醇为初始物,分别合成了具有芴共轭单元和季戊四醇多臂结构的两种聚合单体,进一步采用Suzuki反应合成出一种结构新颖的部分共轭结构的超支化聚合物.利用紫外吸收光谱和荧光发射光谱对聚合物予以表征,结果表明,超支化聚合物具有与模型化合物分子相似的发光行为,既可以发出纯正的蓝光,又表现出支化结构对荧光发射的影响.差...     

Preparation of MnO2 Loaded Hydrothermal Carbon-coated Electrospun PAN Fiber Membranes for Highly Efficient Adsorption and Separation of Cationic Dye

Hydrothermal carbonaceous materials and MnO₂ have been proved to be promising adsorbents to remove organic dyes from wastewater. In this study, flexible MnO₂ loaded hydrothermal carbon-coated electrospun poly-acrylonitrile(AC/MnO₂/PAN) fiber membranes were fabricated by a facile one-step hydrothermal method and activated by NaOH solution. The composite fibers exhibited large adsorption capacity toward cationic dyes and excellent mechanical properties. The adsorption performance can be fitted well with pseudo-second-order model and Langmuir isotherm model. The maximum adsorption for methylene blue(MB), methyl violet(MV) and malachite green(MG) are 1173.27,1106.31 and 1129.89 mg/g, respectively, according to Langmuir fitting. The AC/MnO₂/PAN fiber membrane also showed satisfactory performances for selective adsorption and recyclability. In addition, based on selective adsorption, the AC/MnO₂/PAN fiber membranes that are repulsive to the anionic dye methyl orange(MO) can separate the MB/MO mixture solution by dynamic filtration. Thus, this work not only provides a facile strategy to fabricate large capacity adsorbents, but also demonstrates the potential applications in the dye wastewater treatment field.     

一维聚苯胺纳米材料的制备方法研究进展

一维聚苯胺纳米材料具有电导率高、环境稳定性好、分散性好、比表面积大、扩散路径短等独特性能以及易于大量生产和成本相对低廉等优点,在传感器与传动器、防腐涂料、电磁屏蔽等领域应用潜力大,成为目前研究最为广泛的导电聚合物纳米材料之一,其制备方法也日益成为研究的热点。综述了近年来一维聚苯胺纳米材料制备方法的最新研究进展,介绍了模板法、非模板法和电纺法等制备方法,并对各种不同制备方法的优缺点进行了比较分析。     

UPLC fingerprint analysis and identification of flavonoids in Scutellaria indica by UFLC-triple-quadrupole time-of-flight mass spectrometry

The aim of this study was to raise the quality control level of Scutellaria indica. A quick and stable ultra performance liquid chromatography method was established for the fingerprint analysis of S. indica. A total of 32 common peaks were marked with 10 batches S. indica detected in 30?min using similarity evaluation system for chromatographic fingerprint of traditional Chinese medicine (2004A version). Besides, a high-resolution mass spectrometer was used to identify flavonoids in S. indica. A total of 27 flavonoids in S. indica were identified. And a series of fragmentation regularities were obtained, which could be used for the identification of other flavonoids. Therefore, the established liquid chromatography–tandem mass spectrometer method could be successfully utilized for the quality control of S. indica.     

烃基取代茚基钌羰基化合物的合成及晶体结构

配体C₉H₇R(R=CH₂CH₂CH₃ (1),CH₂(CH₃)₂ (2),C₅H₉ (3),CH₂C₆H₅ (4),CH₂CH=CH₂ (5))分别与Ru₃(CO)12在二甲苯或庚烷中加热回流,得到了6个双核配合物[(η⁵-C₉H₆R)Ru(CO)(μ-CO)]₂(R=CH₂CH₂CH₃ (6),CH₂(CH₃)₂ (7),C₅H₈ (8),CH₂C₆H₅ (9),CH₂CH=CH₂ (10))和[(η⁵-C₉H₆)(H₃CH₂C)CHCH(CH₂CH₃)(η⁵-C₉H₆)] [Ru(CO)(μ-CO)]₂ (11).通过元素分析、红外光谱、核磁共振氢谱对配合物的结构进行了表征,并用X-射线单晶衍射法测定了配合物6,9,10和11的结构.     

Interplay between External Strain and Oxygen Vacancies on Raman Spectra of SnO2

Comprehensive first-principle calculations on strained SnO2 crystal structure indicate that the formation energy of different types of oxygen vacancies depends on the external strain. Many novel Raman modes can be observed, their intensities and positions are strongly dependent on applied stain, which can be ascribed to crystal symmetry destruction by oxygen vacancies. Applied strain can compress/stretch distances between Sn and O atoms; therefore, Sn-O band vibration frequencies can be adjusted accordingly. Our calculated results disclose that the Raman spectra of SnO2 crystal structure with different types of oxygen vacancies are obviously different, which can be used to identify the oxygen vacancy types in strained Sn02 crystal structures.     

A thermomechanical constitutive model for cemented granular materials with quantifiable internal variables. Part II – Validation and localization analysis

We study the mechanical failure of cemented granular materials (e.g., sandstones) using a constitutive model based on breakage mechanics for grain crushing and damage mechanics for cement fracture. The theoretical aspects of this model are presented in Part I: Tengattini et al. (2014), A thermomechanical constitutive model for cemented granular materials with quantifiable internal variables, Part I – Theory (Journal of the Mechanics and Physics of Solids, 10.1016/j.jmps.2014.05.021). In this Part II we investigate the constitutive and structural responses of cemented granular materials through analyses of Boundary Value Problems (BVPs).The multiple failure mechanisms captured by the proposed model enable the behavior of cemented granular rocks to be well reproduced for a wide range of confining pressures. Furthermore, through comparison of the model predictions and experimental data, the micromechanical basis of the model provides improved understanding of failure mechanisms of cemented granular materials. In particular, we show that grain crushing is the predominant inelastic deformation mechanism under high pressures while cement failure is the relevant mechanism at low pressures. Over an intermediate pressure regime a mixed mode of failure mechanisms is observed. Furthermore, the micromechanical roots of the model allow the effects on localized deformation modes of various initial microstructures to be studied. The results obtained from both the constitutive responses and BVP solutions indicate that the proposed approach and model provide a promising basis for future theoretical studies on cemented granular materials.     

原子和离子的f^k与g^k的计算方法

本文给出了原子和离子能量表达式中的库仑积分与交换积系数ｆ＾ｋ，ｇ＾ｋ的计算方法，同时给出了计算中所涉及的Ｒａｃａｈ系数，Ｕ＾（＾Ｋ＾），Ｖ＾（＾Ｋ＾）和Ｃ＾（＾Ｋ＾）矩阵等光谱参量的计算方法，用ＦＯＲＴＲＡＮⅣ语言编写了关于ｆ＾ｋ和ｇ＾ｋ的计算机程序，只要输入与光谱项有关的量子数，即可迅速得到相应的ｋ＾ｆ，ｇ＾ｋ值，避免了烦琐的人工推算。     

Synthesis, spectroscopic studies and crystal structure of a polyoxoanion cluster incorporating para-bromophenylimido ligand, (Bu4N)2[Mo6O18(NC6H4Br-p)]

An organic-inorganic hybrid compound, (Bu₄N)₂[Mo₆O₁₈(NAr)] (Ar = p-BrC₆H₄) has been synthesized via the DCC dehydrating protocol of the reaction of [α-Mo₈O₂₆]⁴⁻ with 4-bromoaniline hydrochloride in anhydrous acetonitrile, which has been characterized by UV-Vis spectra, ¹H NMR and single crystal X-ray diffraction study. By comparing the UV-Vis spectra, which were used to monitor the reaction, the optimum preparative condition for this compound was also determined. This compound crystallizes in the monoclinic space group P2₁/n, which is featured in a terminal para-bromophenylimido group linked to an Mo atom of a hexamolybdate cluster by a Mo-N triply bond. In addition, there are π-π dimerization of the neighboring cluster anions though the parallel aromatic rings in their crystals.