Half metallic properties of Sr2CuOsO6

The half metallic properties of the recent synthesized Sr2CuOsO6 were predicted by using the density functional theory. The effects of electron correlation and spin-orbit coupling (SOC) were studied. The calculations show that without considering SOC effect, Sr2CuOsO6 is half metallic and ferrimagnetic. By including both electron correlation and spin-orbit coupling, the total spin magnetic moment is 0.89 mu(B), total orbital moment 0.43 mu(B) in opposite direction, making the net magnetic moment 0.46 mu(B). SOC ruins the half metallic character. Crown Copyright (C) 2009 Published by Elsevier B. V. All rights reserved.

疏水基改性聚丙烯酰胺的合成及溶液性质

利用自由基胶束聚合法,由丙烯酰胺和甲基丙烯酸十八酯共聚合成了疏水缔合型水溶性聚合物。通过红外光谱表征了共聚物的结构,考察了共聚物浓度、盐浓度、剪切速率以及温度对共聚物溶液性能的影响。试验结果表明,聚合物质量分数大于临界缔合浓度(2%)时,溶液的粘度急剧增大;疏水缔合聚合物溶液的表观粘度随着溶液中NaCl质量分数的增加而增大。

Synthesis, photoluminescence, thermoluminescence and dosimetry properties of novel phosphor KSr4(BO3)(3):Ce

Polycrystalline powder sample of KSr4(BO3)(3) was synthesized by high-temperature solid-state reaction. The influence of different rare earth dopants, i.e. Tb3+, TM3+ and Ce3+, on thermoluminescence (TL) of KSr4(BO3)(3) Phosphor was discussed. The TL, photoluminescence (PL) and some dosimetric properties of Ce3+-activated KSr4(BO3)(3) phosphor were studied. The effect of the concentration of Ce3+ on TL intensity was investigated and the result showed that the optimum Ce3+ concentration was 0.2 mol%. The TL kinetic parameters of KSr4(BO3)(3):0.002 Ce3+ phosphor were calculated by computer glow curve deconvolution (CGCD) method. Characteristic emission peaking at about 407 and 383 nm due to the 4f(0)5d(1) -> F-2((5/2),(7/2)) transitions of Ce3+ ion were observed both in PL and three-dimensional (3D) TL spectra. The dose-response of KSr4(BO3)(3):0.002 Ce3+ to gamma-ray was linear in the range from 1 to 1000 mGy. In addition, the decay of the TL intensity of KSr4(BO3)(3):0.002 Ce3+ was also investigated.

聚乳酸与聚丙撑碳酸酯共混体系的性能

采用熔融共混的方法制备了聚乳酸(PLA)/聚丙撑碳酸酯(PPC)共混物。DSC测试结果表明,纯PLA和PPC的玻璃化转变温度分别为54和37℃,不同组成的PLA/PPC共混物有2个明显的玻璃化转变温度,且与纯PLA和PPC的玻璃化转变温度相对应,说明二者是不相容体系。力学测试结果表明,当PPC质量分数超过20%时,可以看到明显的屈服点。共混物在拉伸过程中也有明显的颈缩、应力发白现象,表明随着PPC含量增加,PLA/PPC共混物由典型的脆性断裂向韧性转变。随着PPC含量的增加,共混物模量降低,断裂伸长率增加,当PPC质量分数为50%时,共混物的断裂伸长率达到最大值62%。共混物的粘度可在很宽的范围内予以调控,以满足不同加工的需要。

金纳米粒子和杂多酸的多层组装及其对氧的催化还原

通过层层自组装方法,将荷正电的线性聚乙烯亚胺稳定的金溶胶纳米粒子和荷负电的Keggin结构的磷钨十二酸通过静电作用交替沉积在透明氧化锡(ITO)导电玻璃基底,石英玻璃基底和4 氨基苯甲酸(4 ABA)功能化的玻碳电极表面.用紫外 可见吸收光谱(UV/vis)、X 射线光电子能谱(XPS)以及循环伏安法(CV)监测了这种多层膜的生长过程,对其生长的均匀性、多层膜的组成和稳定性进行了表征,结果表明该多层膜不仅均匀稳定,而且对氧还原有较好的催化活性.

Electrooxidative polymerization of phenothiazine derivatives on screen-printed carbon electrode and its application to determine NADH in flow injection analysis system

The electrooxidation polymerization of phenothiazine derivatives, including azure A and toluidine blue 0, has been studied at screen-printed carbon electrodes in neutral phosphate buffer. Both compounds yield strongly adsorbed electroactive polymer with reversible behavior and formal potentials closed to 0.04 V at pH 6.9. The modified electrodes exhibited good stability and electrocatalysis for NADH oxidation in phosphate buffer (pH 6.9), with an overpotential of more than 500 mV lower than that of the bare electrodes. Further, the modified screen-printed carbon electrodes were found to be promising as an amperometric detector for the flow injection analysis (FIA) of NADH, typically with a dynamic range of 0.5-100 muM.

淫羊藿甙及其与金属离子配合物的电喷雾多级串联质谱研究

利用电喷雾多级串联质谱 ( ESI-MSn)研究了淫羊藿甙及其与金属离子形成的配合物 ,获得淫羊藿甙的质谱碎裂规律 ;并对淫羊藿甙与铝离子、铁离子形成的配合物结构进行了初步确定。结果表明 :淫羊藿甙与铝离子、铁离子可形成比较稳定的 2∶ 1的配合物

Dimerization of hydroxylated species of m-aminophenol by cytochrome c with hydrogen peroxide

The cytochrome c and hydrogen peroxide-dependent oxidation of m-aminophenol was investigated by electrochemistry and spectrophotometry. The results indicated that the hydroxylated species of m-aminophenol have at least two conjugated substituted groups on the ring system (most possibly, its oxidized form 2-hydroxy-4-iminoquinone), and that the degradation of cytochrome c by hydrogen peroxide can also be prevented in the presence of m-aminophenol. The hydroxyl radical scavengers, mannitol and sodium benzoate, almost completely eliminate the hydroxylation of m-aminophenol. But oxo-heme species scavenger, uric acid, does not inhibit the hydroxylation. Combining the results of mass spectrum, nuclear magnetic resonance and element analysis with that of spectrophotometry, electrochemistry and chemical scavengers, it is suggested that cytochrome c may act as a peroxidase, which facilitates the hydroxylation and subsequent dimerization of m-aminophenol. (C) 1998 Elsevier Science B.V. All rights reserved.

计算机辅助有机化合物结构解析ESESOC-Ⅱ

简要介绍了有机化合物结构自动解析专家系统ＥＳＥＳＯＣ－Ⅱ及其结构产生器由分子式穷举生成有机化合物结构异构体的基本算法。主要讨论了结构产生器的穷举性、非冗性和有效性问题。

微胶囊固定化过氧化氢酶的制取及对H_2O_2的分解作用

以乙基纤维素为膜材，用溶液干燥法制取了微胶囊固定化过氧化氢酶，探讨了制取过程中明胶的加入对微胶囊产率及固定化过氧化氢酶活性的影响，同时论述了存放时间、温度以及环境ｐＨ值对微胶囊固定化过氧化氢酶稳定性的影响．深入研究了微胶囊固定化过氧化氢酶对Ｈ２Ｏ２的分解作用，获得了十分有意义的结果

SYNTHESIS AND PHOTOCHROMISM IN SOLUTION OF PHENOXYNAPHTHACENEQUINONE DERIVATIVES

Two new phenoxynaphthacenequinone derivatives, 6-[4-(2-(4-hydroxyphenyl)isopropyl)phenoxy] -5,12-naphthacenequinone (7) and 6-[4-(potassium sulfophenylazo)phenoxy]-5,12-naphthacenequinone (8), were synthesized, and their photochromism in solution was investigated and compared with that of 6-phenoxy-5,12-naphthacenequinone (1). On the basis of the spectral data and the selective irreversible reaction of ammonia with the colored phenoxy-ana-naphthacenequinone, the concentrations of the ana forms at the photostationary state (PSS), achieved by 365 nm UV irradiation, and the molar extinction coefficients of the pure ana forms at 481-482 nm of compounds 1, 7 and 8 in dimethylsulfoxide (DMSO) were found to be 83 mol.% and 1.70x10(4) mol(-1) dm(3) cm(-1), 82 mol.% and 1.62x10(4) mol(-1) dm(3) cm(-1) and 16 mol.% and approximately 1.34x10(4) mol(-1) dm(3) cm(-1) respectively; the absorption spectra of the colored ana forms of 7 and 1 in DMSO were estimated; the rate;constants of photoconversion induced by 365 nm light were obtained. The results show the strong effect of the structure of the phenoxynaphthacenequinones on their photochromism in solution. In addition to DMSO solution, compound 7 exhibited normal photochromism in toluene, benzene, chloroform and a DMSO-ethanol mixed solvent, but not in dimethylformamide (DMF) in which a photoinduced reaction occurred between 7 and DMF or impurities.

挤出反应加工的反应时间研究

挤出反应加工的反应时间研究王益龙，张鸿金，蹇锡高，黄葆同（大连理工大学高分子材料系，大连，１１６０１２）关键词挤出反应加工，聚乙烯，接枝，马来酸二丁酯，挤出反应时间挤出反应加工作为一个新的领域已引起重视［１］．有专利报道［２］，在单螺杆或双螺杆挤出机...

Molecular characteristics and expression analysis of calreticulin in Chinese shrimp Fenneropenaeus chinensis

Calreticulin (CRT), as an endoplasmic reticulum luminal resident protein, plays important roles in Ca2+ homeostasis and molecular chaperoning. CRT on the surface of the cell can modulate cell adhesion, phagocytosis and integrin-dependent Ca2+ signaling. The full length cDNA of calreticulin (FcCRT) was cloned from Chinese shrimp Fenneropenaeus chinensis. It consists of 1672 by with an open reading frame of 1221 bp, encoding 406 amino acids. This is the first reported cDNA sequence of calreticulin in Crustacea. The deduced amino acid sequence of FcCRT showed high identity with those of Bombyx mori (88%), Drosophila melanogaster (83%), Mus musculus (82%) and Homo sapiens (82%). Highest expression of FcCRT was detected in ovary by Northern blot and in situ hybridization. Different mRNA levels of FcCRT were detected at various molting stages. Expression of FcCRT was induced significantly after 3 h of heat shock treatment, reached the maximum at 4 h and dropped after that. Differential expression profiles of FcCRT were observed in hepatopancreas and haemocytes when shrimp were challenged by white spot syndrome virus (WSSV). From the above results, we inferred that FcCRT might play important roles in Ca2+ homeostasis, chaperoning and immune function in shrimp. (c) 2007 Elsevier Inc. All rights reserved.

低碳钢在海底沉积物中的腐蚀行为

海底沉积物环境下钢铁的腐蚀和防护问题由于人们对海洋的广泛的开发和利用而逐渐引起人们的注意。本文对钢在海底沉积物中的腐蚀行为进行了模拟海底沉积物环境下的失重实验和电化学测量，以探讨海底沉积物环境下的钢的腐蚀行为和作用机制。失重法埋片实验表明，在没有微生物影响的海底沉积物中，钢的腐蚀速度与海洋腐蚀环境的其它区带相比是较低的。A3钢在砂型海底沉积物中的腐蚀速度约是其在粘土型海底沉积物中腐蚀速度的2倍。另外，主要用电化学方法研究了A3钢在海底沉积物中的腐蚀行为，包括线性极化阻力测量，弱极化区的动电位扫描测量和电化学交流阻抗谱（EIS）测量，计算了A3钢在海底沉积物中腐蚀的有关电化学参数，探讨了A3钢在两种类型海底沉积物中的腐蚀行为差异。认为A3钢在砂型和粘土型海底沉积物中腐蚀速度大小的差别主要是由于作为阴极去极化剂的氧在不同类型海底沉积物中的扩散速度不同。通过弱极化数据拟合和IES测量的结果表明，A3钢在海底沉积物中的腐蚀机制主要是受阴极去极化剂的氧扩散控制作用。并提出了初期腐蚀过程的等效电路和腐蚀模式图。本文较系统的研究了A3钢在海底沉积物中的电化学腐蚀行为，并首次将弱极化曲线拟合技术应用于海底沉积物腐蚀研究，得到了一些有意义的结果。结合A3钢在不同类型海底沉积物中的阻抗谱特征，提出了相应的等效电路和腐蚀模型。