当前位置: X-MOL 学术J. Fluoresc. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Thiadiazole Functionalized Salicylaldehyde-Schiff Base as a pH-responsive and chemo-reversible “Turn-Off” fluorescent probe for selective cu (II) detection: Logic Gate Behaviour and Molecular Docking Studies
Journal of Fluorescence ( IF 2.7 ) Pub Date : 2022-10-08 , DOI: 10.1007/s10895-022-02991-6
Aruna Chhikara 1 , Deepak Tomar 1, 2 , Gaurav Bartwal 3 , Madhuri Chaurasia 4 , Anuj Sharma 5 , Swarita Gopal 2 , Sulekh Chandra 1
Affiliation  

A novel thiadiazole functionalized schiff base chemoreceptor (E)-2,4-dichloro-6-(((5-mercapto-1,3,4-thiadiazol-2-yl)imino)methyl)phenol (SB-1) has been synthesized and characterized spectroscopically by using various techniques. Its photophysical behaviour was scanned towards a variety of metal ions in mixed aqueous media. The chemosensor (SB-1) displayed excellent selectivity towards Cu2+ ion through fluorescent diminishment (turn-off phenomenon). Colorimetric analyses showed a rapid colour change from yellow to dark red under visible light upon addition of Cu2+ ions. Interestingly, the original yellow colour reappeared back instantly after the addition of EDTA2− anions, thus confirming the reversible nature of SB-1. Competitive experiments validated no interference from the other co-existing metal ions in the recognition process of SB-1 towards Cu2+ ion. Job’s plot confirmed 1:1 binding stoichiometry between SB-1 and Cu2+ ion with the binding constant value of 3.87 × 104 M− 1. The limit of detection was determined to be 1.01 × 10− 7 M suggesting good sensitivity of SB-1 towards Cu2+ ions. Furthermore, pH-dependent UV-Vis spectral behaviour of SB-1 confirmed that it could act as an effective optical pH-sensor for highly acidic environment as well. Portable nature of probe SB-1 was explored by fabricating “easy-to-use” paper test strips, which allow robust and rapid detection of Cu2+ ions. Based on the multi-responsive properties of SB-1, a ‘NOR’ logic gate was constructed by applying Cu2+ and EDTA2− as chemical inputs (ln1: Cu2+, ln2: EDTA2−) while emission intensity observed at 560 nm was considered as output signal (O1). DFT optimized geometries confirmed that chemosensor SB-1 exists in Azo form (Enol form) in its ground state. Molecular docking of the SB-1 and its copper complex, into the binding site of TRK protein tyrosine kinase (PDB: 1t46) was also carried out to explore their biological activity and their potential use as TRK inhibitors.



中文翻译:

噻二唑功能化水杨醛席夫碱作为 pH 响应和化学可逆“关闭”荧光探针用于选择性 cu (II) 检测:逻辑门行为和分子对接研究

一种新型噻二唑官​​能化席夫碱化学受体 (E)-2,4-二氯-6-(((5-巯基-1,3,4-噻二唑-2-基)亚氨基)甲基)苯酚(SB-1 )通过使用各种技术进行光谱合成和表征。针对混合水介质中的各种金属离子扫描其光物理行为。化学传感器(SB-1)通过荧光减弱(关闭现象)显示出对 Cu 2+离子的出色选择性。比色分析显示在可见光下添加 Cu 2+离子后颜色从黄色快速变为深红色。有趣的是,加入 EDTA 2后,原来的黄色立即重新出现-阴离子,从而证实了SB-1的可逆性。竞争性实验证实在SB-1对Cu 2+离子的识别过程中没有其他共存金属离子的干扰。乔布斯图证实了SB-1和 Cu 2+离子之间的 1:1 结合化学计量,结合常数值为 3.87 × 10 4  M − 1。检测限确定为 1.01 × 10 − 7  M,表明SB-1对 Cu 2+离子具有良好的灵敏度。此外, SB-1的 pH 依赖性紫外-可见光谱行为证实它也可以作为高酸性环境的有效光学 pH 传感器。通过制造“易于使用”的纸质试纸探索了探针SB-1的便携特性,该试纸允许对 Cu 2+离子进行稳健且快速的检测。基于SB-1的多响应特性,通过应用 Cu 2+和 EDTA 2−作为化学输入(ln1:Cu 2+,ln2:EDTA 2− )构建了“或非”逻辑门,同时观察到发射强度560 nm 被认为是输出信号 (O1)。DFT 优化的几何形状证实化学传感器SB-1在其基态以偶氮形式(烯醇形式)存在。SB-1的分子对接及其铜配合物进入 TRK 蛋白酪氨酸激酶 (PDB: 1t46) 的结合位点,以探索它们的生物活性及其作为 TRK 抑制剂的潜在用途。

更新日期:2022-10-09
down
wechat
bug