Entanglement spectrum and magnetization plateaus in an S = 1 bond-alternative Heisenberg chain with single-ion anisotropy and magnetic field

Entanglement spectrum and quantum phase transitions (QPTs) in S = 1 bond-alternative antiferromagnetic Heisenberg chain with single-ion anisotropy and magnetic field are investigated by the infinite time-evolving block decimation (iTEBD) method. The combined effects of the single-ion anisotropy and magnetic field have been discussed, and a rich ground-state phase diagram is obtained. We find that the single-ion anisotropy is advantageous to the stability of the 1/2 magnetization plateau. Both entanglement entropy and entanglement spectrum, as two model-independent measures, are capable of describing all the QPTs. Especially, doubly degenerate entanglement spectrum on even bond is observed in the 1/2 plateau phase. Besides constant spontaneous magnetization, three magnetization plateaus (M ^z = 0, 1/2, and 1) are found to have constant entanglement entropy, entanglement spectrum, and nearest-neighbor correlation. In addition, all the QPTs in such a model have been determined to belong to the second-order category.     

Assay of free ferulic acid and total ferulic acid for quality assessment of Angelica sinensis

Activity of Chinese Danggui (DG), the processed root of Angelica sinensis (Oliv.) Diels, is linked to the ferulic acid content but the stability of ferulic acid during extraction for medicinal use is not known. The stabilities of ferulic acid and coniferyl ferulate were evaluated in the extracts of DG using a variety of extraction solvents. These included various combinations and proportions of methanol, water, formic acid, 1 M aqueous hydrochloric acid and 2% sodium hydrogen carbonate (NaHCO3) in water. Coniferyl ferulate was found liable to hydrolyze into ferulic acid in neutral, strongly acidic and basic solvents, where heat and water could facilitate this hydrolysis. However, the hydrolysis was relatively resisted in weakly organic acid. Based on the stability evaluation, two new terms, namely: free ferulic acid and total ferulic acid, were suggested and defined. Free ferulic acid refers to the natural content of ferulic acid in herbs. Total ferulic acid means the sum of free ferulic acid plus the amount of related hydrolyzed components. Meanwhile, the high-performance liquid chromatographic (HPLC) method was developed to assay free ferulic acid and total ferulic acid in DG using methanol-formic acid (95:5) and methanol-2% NaHCO3 in water (95:5) as extraction solvents, respectively. Ten DG samples were investigated on their contents of free and total ferulic acid. The results indicated that the amount variety of free ferulic acid was larger than that of their counterparts, and the ratio of total ferulic acid to free ferulic acid was 4.07 +/- 2.73 (mean +/- SD, n = 10). The chemical assay of DG using total ferulic acid content would be a better choice to assess the herbal quality and was recommended.     

A New Carotane Sesquiterpenoid Derivative with Antifungal Activity from Gymnopus sp. 0612-9

Chemistry of Natural Compounds - A new carotane sesquiterpenoid, methyl gymnabloate (1), was isolated from the fermentation broth of the wild macrofungus Gymnopus sp. 0612-9. Its structure was...     

富硒灵芝中一种新含硒蛋白的纯化、性质及其自由基清除活性研究

通过硫酸铵沉淀、离子交换层析和分子排阻层析等方法, 从富硒灵芝中获得了一种新的含硒蛋白, 命名为Se-GL-P, 并研究了此蛋白的性质、抗氧化活性与其硒含量间的关系. 结果表明, 此蛋白的分子量为36600, 分子中约含有19.8%的糖链, N端的氨基酸残基序列为DINGGGATLPQKLYLTPDVL, 属于DING蛋白家族. 硒含量为4.87 mg/g, 具有较高的羟自由基和超氧自由基清除活性. 研究发现, Se-GL-P的抗氧化活性的提高与其中硒含量的提高相关.     

利用FePt/Au多层膜结构制备垂直磁记录L10-FePt薄膜

利用磁控溅射方法在100℃的MgO单晶基片上制备了［FePt/Au］₁₀多层膜,并研究了采用FePt/Au多层膜结构对FePt薄膜的有序化温度、矫顽力（H_C）、垂直磁各向异性、晶粒尺寸以及颗粒间磁交换耦合作用的影响.磁性测试结果表明：FePt/Au多层膜在退火后具有较高的H_C、良好的垂直磁各向异性、较小的晶粒尺寸且无磁交换耦合作用.截面高分辨电镜分析表明：Au可以缓解MgO和FePt之间较大的晶格错配,从而促进薄 关键词： 0-FePt薄膜')" href="#">L1₀-FePt薄膜 有序化温度 垂直磁各向异性 磁交换耦合作用     

丙烯酰胺、3-丙烯酰胺-3-甲基丁酸钠和N-烷基丙烯酰胺三元共聚物的溶液特性研究

讨论了丙烯酰胺、3-丙烯酰胺-3-甲基丁酸钠和N-烷基丙烯酰胺三元共聚物(CAANA)的水溶液特性,并与部分水解聚丙烯酰胺(HPAM)水溶液特性相比较。芘荧光光谱分析和激光光散射仪测量结果表明。CAANA由于引入了疏水性单体,在水溶液中形成了分子间的疏水缔合作用,并使得CAANA在水溶液中具有较大的均方旋转半径,相对于HPAM,CAANA具有更好的耐温抗盐性能。在一定范围内,CAANA中引入的疏水性单体形成的缔合作用愈强,愈有利于改善聚合物的耐温抗盐性能。     

Structural and Spectroscopic Study of Cu(II) Pyridine-2,6-dicarboxylate Complex with 2-Ethylimidazole

Abstract  

A mononuclear copper(II) complex, [Cu(pydca)(2-Etlm)(H₂O)] (1) (H₂pydca = pyridine-2,6-dicarboxylic acid, 2-Etlm = 2-ethylimidazole), has been synthesized and characterized by elemental analyses, IR, UV–Vis, TG-DTA and single crystal X-ray diffraction. The complex 1 is in the orthorhombic crystal system, space group Pbca and Z = 8. The structural analysis indicated that Cu(II) center is five coordinated in a slightly distorted square pyramidal geometry by one N and two O atoms from a 2,6-pyridine dicarboxylate dianion, one N atom from a 2-ethylimidazole ligand, and one O atom from a aqua molecule. This mononuclear motif of 1 is further assembled to 3D supramolecular framework through strong O–H···O and N–H···O hydrogen bonding interactions.     

Numerical modeling and simulation of PEM fuel cells: Progress and perspective

This paper provides a comprehensive review on the research and development in multi-scale numerical modeling and simulation of PEM fuel cells. An overview of recent progress in PEM fuel cell modeling has been provided. Fundamental transport phenomena in PEM fuel cells and the corresponding mathematical formulation of macroscale models are analyzed. Various important issues in PEM fuel cell modeling and simulation are examined in detail, including fluid flow and species transport, electron and proton transport, heat transfer and thermal management, liquid water transport and water management, transient response behaviors, and cold-start processes. Key areas for further improvements have also been discussed.     

Effects of Bond Alternation on the Ground-State Phase Diagram of One-Dimensional XXZ Model

The ground-state properties and quantum phase transitions (QPTs) of the one-dimensional bond-alternative XXZ model are investigated by the infinite time-evolving block decimation (iTEBD) method. The bond-alternative effects on its ground-state phase diagram are discussed in detail. Once the bond alternation is taken into account, the antiferromagnetic phase (Δ > 1) will be destroyed at a given critical point and change into a disordered phase without nonlocal string order. The QPT is shown to be second-order, and the whole phase diagram is provided. For the ferromagnetic phase region (Δ < -1), the critical point r^c always equals 1 (independent of Δ), and the QPT for this case is shown to be first-order. The dimerized Heisenberg model is also discussed, and two disordered phases can be distinguished by with or without nonlocal string orders. Both the bipartite entanglement and the fidelity per site, as two kinds of model-independent measures, are capable of describing all the QPTs in such a quantum model.     

Boiling points for five binary systems of sulfolane with aromatic hydrocarbons at 101.33 kPa

Boiling points have been determined at 101.33 kPa for the binary mixtures of sulfolane+o-xylene, sulfolane+m-xylene, sulfolane+p-xylene, sulfolane+ethylbenzene and sulfolane+1,2,4-trimethylbenzene. Calculations of the non-ideality of the vapor phase were made with the second virial coefficients evaluated from the Hayden–O’Connell method. The binary parameters for five activity coefficient models (Margules, van Laar, Wilson, NRTL and UNIQUAC) have been fitted with the experimental boiling points measured in this work. A comparison of model performances has been carried out using the criterion of the average absolute deviations in boiling point. The activity coefficient of the component in the liquid phase is discussed based on the UNIFAC model with the consideration of the dipole–dipole interactions.