近年来,对碘吸附与释放的关注与日俱增.在各种吸附剂中,金属有机骨架材料(MOFs)是捕获碘单质最有效的候选物质之一[1,2].本课题组利用2,3,3,4-双苯基四羧酸(H4bptc)为配体合成得到一个三维锌配合物{[Zn2(bptc)(H2O)4]-(pra)}n,(其中,pra = 2-氨基吡啶).如下左图所示为配合物的三维骨架结构,该材料具有较好的热稳定性,在甲醇溶液中吸附和脱附碘单质后能稳定
质子交换膜燃料电池是具有广阔应用前景的下一代清洁能源动力电池。但目前燃料电池质子交换膜主要以水为传导介质，由于水的沸点较低，在高温工作时水分的蒸发易造成导电性下降，从而严重限制了其工作在高温下工作。这种缺点同时也使得该类电池对贵金属催化剂及繁琐温度控制系统依赖，从而电池成本居高。我们课题组通过利用新型二元离子液代替水作为质子传导介质，利用离子液的高沸点、热稳定、低挥发、阻燃等特点，以固态多孔配位聚
An anionic 3D MOF of JXNU-4 with 1D channels occupied by the extraframework dimethylammonium cations was chosen as a parent compound to host Eu3+cations by uncoordinated carboxylate oxygen atoms in it
在色谱、分子光谱等分析信号中，准确的峰检测对后续的分析非常重要。然而，重叠峰对主要峰参数的确定影响严重，增加了进一步数据分析的难度。在本文中，我们提出递归小波峰检测和解卷积方法(RWPD)，该方法主要针对重叠峰进行峰检测、解卷积和主要峰参数的估计。
Molecular docking techniques have now been widely used to predict the protein-ligand binding modes,especially when the structures of crystal complexes are not available.Most docking algorithms are abl
Gas chromatography-mass spectrometry(GC-MS)is an important and powerful tool that facilitates work in diverse fields concerned with complex mixtures of organic compounds.One of the most important proc
Two-layer ONIOM calculations combined quantum mechanics(QM)and molecular mechanics(MM)were performed to explore the binding modes of five novel cis-platinum anticancer drugs(Fig.1)with DNA.In the pres
Quantitative or qualitative characterization of the drug-like features of known drugs can help medicinal chemists to select higher quality drug leads from a huge pool of compounds and to improve the e
Microtubules are an attractive molecular target for anticancer agents.Combretastatin A-4(CA-4)is strong tubulin polymerization inhibitors binding to the colchicine site and can strongly block tumor gr
Class II fructose bis-phosphate aldolases(FBA-II) are potential and particularly attractive new targets for the discovery of drugs to combat invasive bacterial and fungal infection,because of their oc