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A coumarin derivative-Cu2+ complex-based fluorescent chemosensor for detection of biothiols

机译：用于检测生物硫醇的香豆素衍生物-CU2 +复合物荧光化学传感器

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Herein, a novel fluorescent sensor has been developed for the detection of biothiols based on theoretical calculations of the stability constant of the complex between a Cu ~(2+) ion and ( E )-3-((2-(benzo[ d ]thiazol-2-yl)hydrazono)methyl)-7-(diethylamino) coumarin ( BDC ) as a fluorescent ligand. In this study, on the basis of density functional theory method, the Gibbs free energy of ligand-exchange reaction and the solvation model were carried out using thermodynamic cycles. The obtained results are in good agreement with the experimental data. The BDC –Cu ~(2+) complex can be used as a fluorescent sensor for the detection of biothiols in the presence of non-thiol containing amino acids, with a detection limit for cysteine at 0.3 μM. Moreover, theoretical calculations of excited states were used to elucidate variations in the fluorescence properties. The computed results show that the excited doublet states D _(2) and D _(1) are dark doublet states, which quench the fluorescence of the complex.
机译：在此，已经开发了一种新的荧光传感器，用于基于Cu〜（2+）离子和（E）-3 - （（2-（苯并[D]）之间的络合物的稳定性常数的理论计算来开发生物醇。噻唑-2-基）氢肼）甲基）-7-（二乙基氨基）香豆素（BDC）作为荧光配体。在本研究中，在密度函数理论方法的基础上，使用热力学循环进行韧带交换反应的Gibbs自由能和溶剂化模型。获得的结果与实验数据很好。 BDC -Cu〜（2+）复合物可用作在含非硫醇的含有氨基酸存在下检测生物醇的荧光传感器，其在0.3μm下的半胱氨酸检测限。此外，兴奋状态的理论计算用于阐明荧光性质的变化。计算结果表明，激发的双阻塞状态D _（2）和D _（1）是暗双倍的状态，其淬灭复合物的荧光。

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