摘要：对人类健康和社会环境而言,汞离子被认为是毒性最大的金属离子之一。本文设计、合成了一种新型基于丹磺酰胺染料的荧光探针,并研究了其对金属阳离子的识别性质。研究结果表明:该荧光探针在水溶液中,对汞离子具有高度的选择性和良好的灵敏度,且不受其它金属阳离子的干扰。该探针对汞离子的检测限可以达到2.1×10-8 mol/L。该探针极低的检测限和良好的水溶性表明其可用于活细胞中检测汞离子。生物成像实验证实该探针具有良好的细胞膜透性和生物相容性。

摘要：For the aim of finding new available functional materials, a series of nitrogen heteroatom 2 β naphthylbenzoxazole molecules were designed based on the experiment and theoretical studies of 2 β naphthylbenzoxazole molecule. Geometry optimization of the 2 β naphthylbenzoxazole was carried out by using Hyperchem Molecular Mechanics plus MM+. The planar molecular structure was obtained. The quantum chemistry calculating method PPP SCF CI, which is specially available to treat electron spectrum, was applied to investigate each novel designed molecules. Their electronic structures were analyzed in detail, it shows that total π electron energy decreased linearly with the number of replaced nitrogen. Single nitrogen atom located in benzoxazole ring or naphthalene ring results in contrary changes of level difference of FMO; multiple nitrogen atoms located in different molecular positions will lead to polarization of extremum in the level difference of FMO; and 5 nitrogen heteroatoms reach the culmination. Considering other electronic structure information, some favorable designed molecules were identified.