酸、碱性条件下茜素红紫外-可见光谱的量子化学研究

茜素红(ARS)是葸醌类化合物中茜草素型的一种,被广泛应用于电化学、光谱学等领域的研究。在酸性溶液中,茜素红主要在260 nm和422 nm处出现明显的吸收峰,而在碱性溶液中吸收峰移动到272 nm和556 nm。为了分析不同溶液环境对茜素红吸收峰波长的影响,本研究在杂化密度泛函方法B3LYP/6-311+(d)水平上优化了ARS分子在酸、碱性情况时的稳定基态构型,并采用含时密度泛函(time-dependent density functional theory,TD-DFT)方法模拟了ARS分子的电子吸收光谱。计算结果与实验得到的紫外可见吸收光谱相吻合,说明密度泛函理论用来研究茜素红的紫外可见光谱是有效可靠的。通过计算还确定了每个吸收峰对应的各个电子跃迁的贡献率以及Mulliken电荷分布。该理论与实验的结合研究为茜草素型化合物的进一步应用、分子设计、药物构效关系和化学反应规律的研究提供了重要的参考依据。     

DCS在酸相法氯化聚乙烯生产中的应用

把DCS应用于酸法生产CPE中，描述了DCS的硬件配制，生产中的控制要点及自控方案，在工业化生产中取得了良好效果。     

Modification of silk with aminated polyepichlorohydrin to improve dyeability with reactive dyes

Reactive dyes have almost complete exhaustion and ideal fixation on aminated polyepichlorohydrin pretreated silk without addition of salt or alkali. The effects of varying pretreatments and dyeing conditions were studied. The dyeing behaviour of CI Reactive Red 15 on modified silk under pH 6 was investigated. Dyeings of modified silk showed good wash fastness, dry and wet rub fastnesses as well as light fastness. The quality of the dyed silks obtained after pretreatment was shown to be satisfactory and the dyeing effluent was less polluted.     

Synthesis and characterization of copolythiophene

Copolythiophenes (Co‐PTs), poly(3‐hexylthiophene‐co‐3‐thiophene carboxylic acid) (P3HT‐TCa), poly(3‐hexyloxylthiophene‐co‐3‐thiophene carboxylic acid) (P3HOT‐TCa), and poly(3‐phenylthiophene‐co‐3‐thiophene carboxylic acid) (P3PhT‐TCa), were synthesized by chemical oxidized polymerization to investigate the effect of copolymerization on the properties of polythiophenes (PTs). Gel permeation chromatography showed that the molecular weight (MW) of Co‐PT was lower than that of homopolythiophene. Fourier transform infrared (FTIR) spectra indicated that the copolymerization was successful between the monomers. The λ_max of Co‐PTs gave a “blue shift” in ultraviolet‐visible (UV‐VIS) spectra. Photoluminescence (PL) spectra showed that the PL intensity of Co‐PT became weaker than that of homopolythiophene and the disappearance of PL had been observed in P3HOT‐TCa. The thermal stability of Co‐PT was influenced by the carboxyl for its low decomposition temperature. Furthermore, the copolymerization between multi‐wall carbon nanotube containing thiophene ring (MWNT‐Th) and 3‐hexyloxylthiphene could also take place successfully. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci 2007     

矾土尖晶石钢包浇注料的研制与应用

采用特级矾土熟料为骨科，天然出合成的镁铝尖晶石为部分基质，选用新型复合结合剂研制成矾土尖晶石质钢包浇注料．使用结果表明：一次性寿命较传统的铝镁浇注料提高８０％以上．     

Inspection of Remanent Polarization in the Ferroelectric Ceramic PZT 95/5 Through Pyroelectric Effect

Shock-induced depoling of the ferroelectric (FE) ceramic PZT 95/5 is utilized in a number of pulsed power devices. Nondestructive testing of remanent polarization of PZT 95/5 is developed by pyroelectric effect in this paper. Approximately linear relation between the change of polarization during low- to high-temperature rhombohedral FE phase and the remanent polarization was found through pyroelectricity of a single piece of PZT 95/5 ceramics. The change of polarization of a prototype for shock-driven pulsed power during the FE_HT↔FE_LT phase transformation was also investigated through directly measuring the pyroelectric current. Results indicate that pyroelectric effect caused by the reversible FE_HT–FE_LT phase transition could be used as a non-destructive inspection for the remanent polarization of a prototype about shock-driven pulsed power supply.     

Oxidative dehydrogenation of ethane over Co–BaCO3 catalysts using CO2 as oxidant: effects of Co promoter

Co–BaCO₃ catalysts exhibited high catalytic performance for oxidative dehydrogenation of ethane (ODE) using CO₂ as oxidant. The maximal formation rate of C₂H₄ was 0.264 mmol · min⁻¹ · (g · cat.)⁻¹ (48.0% C₂H₆ conversion, 92.2% C₂H₄ selectivity, 44.3% C₂H₄ yield) on 7 wt% Co–BaCO₃ catalyst at 650 °C and 6000 ml. (g · cat.)⁻¹. h⁻¹. Co–BaCO₃ catalysts were comparatively characterized by XRF, N₂ isotherm adsorption-desorption, XRD, H₂-TPR and LRs. It was found that Co⁴⁺–O species were active sites on these catalysts in ODE with CO₂. The redox cycle of Co–O species played an important role on the catalytic performance of Co–BaCO₃ catalysts. On the other hand, the co-operation of BaCO₃ and BaCoO₃ was considered to be one of possible reasons for the high catalytic activity of these catalysts.     

Solid state interfacial reactions in electrodeposited Ni/Sn couples

Ni/Sn couples,prepared by sequentially electroplating Ni layers and Sn layers on metallized Si wafers,were employed to study the mierostructures and growth kinetics of Ni-Sn intermediate phases,when the Ni/Sn couples were aged at room temperature or annealed at temperatures from 150 to 225℃for various times.The results show that the NiSn phase and Ni_3Sn_4 phase are formed,respectively,in the aged couples and annealed couples.The Ni_3Sn_4 layer is continuously distributed between the Ni and Sn sides in t...     

实验动物在血液制品中的应用

目的：阐述实验动物在血液制品生产质量控制过程中应用的重要性。方法：按《中华人民共和国药典》2005年版三部要求及相关项目的技术规范进行血液制品质量控制。结果：血浆数量150吨,可同时生产以下品种的产品,人血白蛋白共30批次,总瓶数约40万瓶（折10g）;免疫球蛋白类：共30批次,总瓶数约30万瓶（折2.5g）;人纤维蛋白原：共30批次,总瓶数约15万瓶（折0.5g）;人凝血酶原复合物：共30批次,总瓶数约12万瓶（折300IU）;人凝血因子Ⅷ：共30批次,总瓶数约10万瓶（折200IU）。需使用家兔870只、豚鼠300只小鼠750只。结论：实验动物应用于血液制品生产质量控制发挥了非常重要的作用。