利用红外光谱构建抚顺煤大分子结构模型

为研究低阶煤的转化机理,需对其大分子结构进行深入的研究。本文在分析抚顺长焰煤的元素组成和红外光谱的基础上,利用谱图分峰的手段对红外谱图进行分峰,并计算出芳氢率、H/C、侧链长度和芳碳率等结构参数,最后用ChemOffice Ultra 2010软件进行绘制大分子结构模型,通过不断调整各原子的链接形式,使模型的元素组成及各项结构参数接近测试值,最终得到的抚顺长焰煤模型的分子式为C194H193CaN3O27。     

Two Cu(Ⅱ) Complexes with Hydrolyzed Nicotinamide Ligand: Crystal Structures and Bioactivities

Two Cu(Ⅱ) complexes of [Cu(2,6-DPC)(Hnta)(H_2O)]·H_2O(2,6-DPC = 2,6-pyridinedicarboxylic-carboxylate, Hnta = nicotinic acid) and [Cu_2(2,4-D)_4(Hnta)_2](2,4-D = 2,4-dichlorophenoxyacetic-carboxylate) were synthesized and successfully obtained as single crystals in this paper. The supramolecular structures of the complexes from zero to three dimensions and the weak intermolecular force in the crystal were analyzed. The single-crystal structures of the complexes were further analyzed by Hirshfeld surface analysis. The competition capacity of the complexes about calf thymus DNA(ct-DNA) was also analyzed by fluorescence spectroscopy. The ability of complexes to cleave the plasmid DNA(pBR322-DNA) was determined by gel electrophoresis assay. And at last, the complexes' cytotoxic activities were reviewed for four kinds of cancer cell lines(HeLa, MCF-7, HepG, SKOV-3), showing that the coordination polymer has anti-tumor activity and cytotoxicity.