Cucurbit[10]uril Host-Guest Based Ratiometric Fluorescent Probe for Recognition of Nilotinib
利用紫外-可见吸收光谱与荧光光谱研究了了十元瓜环（Q[10]）与芘衍生物的主客体作用，并通过量化理论计算了其超分子组装结构。计算结果表明，客体中的芘分子以头碰头的形式从Q[10]的两端反方向平行进入其疏水大空腔，形成2∶1的络合物。等温滴定量热实验结果表明，系列主客体络合反应是焓变驱动。同时，利用芘荧光基团的特征单体/二聚体荧光发射构建了基于Q[10]主客体组装的比率型荧光探针，研究结果表明，此主客体体系在水溶液中对药物分子尼罗替尼具有较好的选择与识别性能，并在一定浓度范围内具有良好的线性关系，检出限为7.05 μmol/L。
Host-guest interaction of cucurbit[10]uril (Q[10] or CB[10]) with pyrene-derived derivatives was evaluated by fluorescence emission spectra and UV-vis absorption spectra, and the host-guest binding modes were studied by density functional theory (DFT). In the energy minimization structures, the pyrene group of the guest was encapsulated in the larger hydrophobic cavity of Q[10] in parallel from the opposite direction in the form of a head-to-head fashion, forming a 2∶1 inclusion. The thermodynamic data indicated that the two host-guest interactions were enthalpy-driven. Furthermore, the Q[10] host-guest interaction of Q[10]/G2 could be used as ratiometric fluorescent probe based on the unique monomer/excimer emission of pyrene moiety on the guest G2. Experiment results indicated that the host-guest interaction derived probe had good recognition and selectivity for nilotinib in aqueous solution, and the detection limit was 7.05 μmol/L.