Investigation of a liquid-liquid extraction system based on non-ionic surfactant-salt-H2O and mechanism of drug extraction

Based on the investigation of a non-ionic surfactant-salt-H₂O liquid-liquid extraction system, general rules concerning salt selection are concluded and the mechanism of phase separation is explained. The extraction behavior of chlorpromazine hydrochloride (CPZ) and procaine hydrochloride (PCN) in such a system is studied. Research shows that the extraction efficiency of CPZ can amount to 96% by twice extraction, which means that quantitative extraction is realized, while that of PCN is 77%. This system produces distribution coefficients (K_D) of 12.3 and 2.6, respectively, for CPZ and PCN. Extraction mechanism is deduced according to ultraviolet absorbance; and molecular fluorescence spectra change of the drugs in the system studied.     

热活化延迟荧光聚合物及其电致发光器件

热活化延迟荧光(TADF)聚合物,不仅具有小分子TADF材料高的激子利用效率特性,而且还具备分子多样性好、可溶液加工、低成本、以及易实现大面积柔性器件等诸多优势,在近几年受到广泛的关注并展现了良好的应用前景。本文从TADF聚合物分子设计原理、器件结构及发光机理出发,依据TADF聚合物的构筑方法不同,概括了其结构设计策略,详述了各种类型TADF聚合物的分子结构和光电性能及其在有机电致发光器件领域应用的研究进展,最后探讨了TADF聚合物存在的问题,并展望了其发展前景。     

光诱导[2+2]环加成在有机合成中的应用

综述了烯烃、二烯、烯酮双键和烯烃的分子间或分子内光环加成,总结了过去二十五年在有机合成中的研究成果。     

正交试验法优化CS汽化吸附条件

通过正交试验设计,优化了影响西埃斯(CS)标准样品管制备的参数:汽化温度、采样流速、采样时间。结果表明,CS标准样品管的最佳吸附条件为汽化吸附温度:260℃,采样N2流速:330mL/min,采样时间:15min。在15~1500ng范围内,色谱峰面积与进样量有良好的线性关系,线性相关系数为0.9995,检出限为6.0ng。     

聚苯基膦酸二苯砜酯对PET凝聚相阻燃作用的研究

采用热重分析、Ｘ－射线光电子能谱和红外光谱分析等手段，研究了含聚苯基膦酸二苯砜酯（ＰＳＰＰＰ）的聚对苯二甲酸乙二酯（ＰＥＴ）阻燃体系的热化学，探讨了ＰＳＰＰＰ对ＰＥＴ的阻燃机理．ＰＳＰＰＰ的加入，明显改变了ＰＥＴ的热分解行为：ＰＳＰＰＰ拓宽了ＰＥＴ的分解温度范围，降低了ＰＥＴ在可燃温度范围内的分解产物的量；在ＰＥＴ的点燃温度以下，ＰＳＰＰＰ对ＰＥＴ的降解起到一定的促进作用，而在点燃温度以上，产生的降解产物有利于促进炭化．４００℃以上，ＰＥＴ和ＰＳＰＰＰ的结构发生了明显的变化，所产生的结构有利于ＰＥＴ的降解，使ＰＥＴ的分子量急剧减小，粘度下降，易于形成熔滴，有利于促使着火部分离开火源，增加燃烧的ＰＥＴ表面的物质损耗和热损耗，起到阻燃作用．     

新型聚丙烯酸酯类柴油降凝剂分子模型的建立及验证

在前期工作得出的正构烷烃含量与浊点、冷滤点、凝点的定量关系模型基础上，选择柴油降凝剂的基团对柴油降凝剂分子结构进行了设计，得出了设计模型。结果表明，将含氮基团引入柴油降凝剂可以显著提高柴油降凝剂的性能。根据设计模型合成了一系列聚丙烯酸单酯和混合酯柴油降凝剂，并通过对柴油降凝剂的性能测试结果和自行设计的计算程序对设计模型进行了验证，结果表明，从柴油正构烷烃含量对柴油降凝剂的配比进行设计是可行的。     

Structure-activity relationships of pyrethroid insecticides. Part 2. The use of molecular dynamics for conformation searching and average parameter calculation

Summary Molecular dynamics simulations have been performed on a number of conformationally flexible pyrethroid insecticides. The results indicate that molecular dynamics is a suitable tool for conformational searching of small molecules given suitable simulation parameters. The structures derived from the simulations are compared with the static conformation used in a previous study. Various physicochemical parameters have been calculated for a set of conformations selected from the simulations using multivariate analysis. The averaged values of the parameters over the selected set (and the factors derived from them) are compared with the single conformation values used in the previous study.     

Design considerations and an example of application of an in-house made TG-MS interface

The design, the abilities and a characteristic application of an in-house made interface for combining thermogravimetry (TG) with mass spectrometry (MS) are presented. The TG-MS interface consists mainly of three co-axial tubes. The position of the intermediate tube was determined after calculation of the temperature profile at the TG furnace exit tube. The inner tube position was determined taking into consideration its protection against condensation of heavy molecules and the time delay for the transfer of the evolved gases. This interface allows either continuous sampling and transferring of the evolved gases from the TG to the MS or repetitive introduction of short sampling pulses of TG evolved gases to MS. The interface is capable of coupling various commercial instruments. In the present work two configurations of this interface are demonstrated. Finally an example of application of this interface on forest fuel pyrolysis is presented. This revised version was published online in July 2006 with corrections to the Cover Date.     

Development of a novel laboratory scale high solids reactor for anaerobic digestion of processed municipal solid wastes for the production of methane

Economic evaluations of the capital costs for anaerobic digestion systems for gas production show that the reactor is a significant cost component. The successful application of high solids digestion of processed MSW (e.g., greater than 10% solids within the digester) would allow a decrease in reactor volume with maintenance of relatively high gas production rates. However, high solids slurries do not mix well in conventional stirred tank reactors. A horizontal shaft, hydraulically driven reactor was designed and fabricated to test the anaerobic digestion of high solids concentrations. Digester performance was evaluated as a function of experimental parameters such as nutrient requirements, feeding rates, pH control, and agitator design/ rotation speed; horsepower of mixing was also evaluated for the reactor. Several startup protocols were examined to obtain a biologically stable anaerobic fermentation at high solids levels.     

The recent progress of wide bandgap donor polymers towards non-fullerene organic solar cells

The recent progress of wide bandgap (WBG) donor polymers for non-fullerene polymer solar cells (NF-PSCs) were reviewed in detail, which was classified by D-type and D-A type molecular backbones to discuss the related structure-property correlations and put forward an outlook for future innovations.