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

作者：Panchal Urvi; Modi Krunal; Dey Shuvankar; Prajapati Usha; Patel Chirag; Jain V K^*

来源：Journal of Luminescence, 2017, 184: 74-82.

DOI：10.1016/j.jlumin.2016.11.066

• 4-Nitrotoluene
• Resorcinarene
• Quenching
• Molecular modelling

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 mu M to 1 mM. The complexation between TMRN2Ph and 4-NT is supported by ESI-MS and H-1 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.

• 出版日期2017-4