A resorcinarene-based “turn-off” fluorescence sensor for 4-nitrotoluene: Insights from fluorescence and ¹H NMR titration with computational approach

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• 作者：Urvi Panchal^a ; Krunal Modi^a ; Shuvankar Dey^a ; Usha Prajapati^a ; Chirag Patel^b ; V.K. Jain^a ; ^{drvkjain@hotmail.com}
• 关键词：4-Nitrotoluene ; Resorcinarene ; Quenching ; Molecular modelling
• 刊名：Journal of Luminescence
• 出版年：2017
• 出版时间：April 2017
• 年：2017
• 卷：184
• 期：Complete
• 页码：74-82
• 全文大小：2043 K
• 卷排序：184

文摘

A new Tetra-Methoxy Resorcinarene-N-(2-ethyl) Phthalimide (TMRN2Ph) has been synthesized for the selective and sensitive recognition of 4-nitrotoluene (4-NT) among various nitroaromatic compounds (NACs) by using a spectrofluorimetric method. Strong quenching in the fluorescence intensity of TMRN2Ph was displayed upon the addition of 4-NT in the linear concentration range of 50 µM to 1 mM. The complexation between TMRN2Ph and 4-NT is supported by ESI-MS and 1H NMR analysis. The complex of TMRN2Ph with 4-NT has been investigated by computational methods such as molecular docking and molecular dynamics to determine the binding interactions and conformational changes. The detection of 4-NT from a water sample has also been performed successfully.