【作者】 张纯； 任爱民；

【Author】 Chun Zhang;Ai-Min Ren;Institute of Theoretical Chemistry,Jilin University;

【机构】 理论化学研究所吉林大学；

【摘要】 β-半乳糖苷酶对细胞衰老的影响以及在细胞内的反应机制很难用单光子荧光探针检测,由于高能激发对细胞的损伤以及较浅的探测深度。双光子显微镜的出现,为生物组织中β-半乳糖苷酶的检测提供了有利条件。进而比率型双光子荧光探针的设计与研发成为了目前研究的重要目标。我们通过TDDFT量子化学方法,设计并研究了一种识别生物组织内β-半乳糖苷酶的比率型双光子荧光探针。经计算证明,识别β-半乳糖苷酶前后,分子的发射光谱发生明显的红移,并伴随着双光子吸收截面的增大(277GM→383GM)和分子内电荷转移(ICT)的发生。这为合成新型的β-半乳糖苷酶双光子荧光探针提供了重要信息。更多还原

【Abstract】 As a marker enzyme,the underlying mechanisms of β-galactosidase(β-gal) and its role in senescence and aging still remain unknown.A promising approach for the detection of β-gal enzyme activity in live specimens is the application of two-photon(TP) microscopy.In the present study,via a quantum chemical method,we studied a kind of TP fluorescent probe for β-gal based on triggered chemical reaction.The calculated emission spectra show that the probe has obvious red-shift after reacting with β-gal due to the formation of the methanamine group,which indicated this probe has the dual signaling for detection of β-gal,following the maxima TPA cross-section from277 GM increase to 383 GM.We believe that these results will help to synthesize novel β-gal fluorescence probe molecules with good TPA activity.更多还原