费斯特共振能量转移
荧光
化学
分析物
自然键轨道
密度泛函理论
分子
共价键
荧光光谱法
滴定法
分析化学(期刊)
光化学
计算化学
色谱法
有机化学
物理
量子力学
作者
Ikram Ullah,Sohail Anjum Shahzad,Mohammed A. Assiri,Muhammad Zahid Ullah,Hasher Irshad,Umar Farooq
标识
DOI:10.1016/j.saa.2024.124224
摘要
Overuse of doxycycline (DOXY) can cause serious problems to human health, environment and food quality. So, it is essential to develop a new sensing methodology that is both sensitive and selective for the quantitative detection of DOXY. In our current research, we synthesized a simple fluorescent probe 4,4'-bis(benzyloxy)-1,1'-biphenyl (BBP) for the highly selective detection of doxycycline by through fluorescence spectroscopy. The probe BBP displayed ultra-sensitivity towards doxycycline due to Forster resonance energy transfer (FRET). Fluorescence spectroscopy, density functional theory (DFT), 1H NMR titration, UV-Vis, and Job's plot were used to confirm the sensing mechanism. The charge transfer between the probe and analyte was further examined qualitatively by electron density differences (EDD) and quantitively by natural bond orbital (NBO) analyses. Whereas the non-covalent nature of probe BBP towards DOXY was verified by theoretical non-covalent interaction (NCI) analysis as along with Bader's quantum theory of atoms in molecules (QTAIM) analysis. Furthermore, probe BBP was also practically employed for the detection of doxycycline in fish samples, pharmaceutical wastewater and blood samples.
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