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A Highly Sensitive and Selective Fluorescent Probe for the Detection of Cerium(III) Using Tridentate Based-Oxazolidine: Experimental and DFT Investigations
Journal of Fluorescence ( IF 2.7 ) Pub Date : 2022-10-27 , DOI: 10.1007/s10895-022-03043-9
Malinee Promkatkaew 1 , Laksamee Chaicharoenwimolkul Chuaitammakit 2 , Kitiya Naree 1 , Jinnapus Sillapa 1 , Sopanat Kongsriprapan 1
Affiliation  

A new fluorescent sensor based on oxazolidine derivative, (2-(pyridin-2-yl)oxazolidine-4,4-diyl)dimethanol; TN), was designed and synthesized successfully in high yield (82%) under Schiff base reaction. The structural elucidation of the sensor has been confirmed by Infrared Spectroscopy, Nuclear Magnetic Resonance Spectroscopy, and High Resolution Mass Spectrometry - Electrospray Ionization - Time of Flight. The designed TN sensor exhibited high sensitivity and selectivity towards an aqueous solution of cerium(III) over various metal ions under biologically relevant conditions (100.0 mM HEPES buffer pH 7.4). The limit of detection (LOD) was reported as 54.0 nM. The geometry of tridentate based-oxazolidine (TN) and its coordination of cerium(III) (TN-Ce3+) was proven by using the density functional theory (DFT) calculations. The highest occupied molecular orbital - lowest unoccupied molecular orbital energy gap was decreased when TN-Ce3+ is formed. The results indicated that TN can be used as a fluorescent probe for high sensitivity and selectivity detection of cerium(III) ions.



中文翻译:

一种使用三齿基恶唑烷检测铈 (III) 的高灵敏度和选择性荧光探针:实验和 DFT 研究

基于恶唑烷衍生物(2-(pyridin-2-yl)oxazolidine-4,4-diyl)dimethanol的新型荧光传感器;TN),在席夫碱反应下以高产率 (82%) 成功设计和合成。传感器的结构解析已通过红外光谱、核磁共振光谱和高分辨率质谱-电喷雾电离-飞行时间得到证实。设计的 TN 传感器在生物相关条件下(100.0 mM HEPES 缓冲液 pH 7.4)对铈 (III) 水溶液表现出对各种金属离子的高灵敏度和选择性。检测限 (LOD) 报告为 54.0 nM。三齿基恶唑烷(TN)的几何结构及其与铈(III)的配位(TN-Ce 3+) 通过使用密度泛函理论 (DFT) 计算得到证明。当TN-Ce 3+形成时,最高占据分子轨道-最低未占据分子轨道能隙减小。结果表明,TN可作为高灵敏度和高选择性检测铈(III)离子的荧光探针。

更新日期:2022-10-27
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