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Facile Construction and In Silico Study of Quinoline‐Attached Resorcinarene Fluorescent Sensor for the Recognition of Insensitive Munition Compounds
Author(s) -
Panchal Urvi,
Modi Krunal,
Liska Alan,
Ludvik Jiri,
Dey Shuvankar,
Patel Chirag,
Jain V. K.
Publication year - 2018
Publication title -
chemistryselect
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.437
H-Index - 34
ISSN - 2365-6549
DOI - 10.1002/slct.201802586
Subject(s) - resorcinarene , quinoline , chemistry , fluorescence , quantum yield , moiety , binding constant , stoichiometry , tetra , quenching (fluorescence) , calixarene , combinatorial chemistry , photochemistry , analytical chemistry (journal) , molecule , chromatography , organic chemistry , medicinal chemistry , binding site , biochemistry , physics , quantum mechanics
N‐methyl‐4‐nitroaniline (MNA), an insensitive munition is selectively and sensitively recognized by a new resorcinarene bearing quinoline moiety, i.e, Tetra‐Methoxy Resorcinarene Tetra‐Quinoline Acetamide (TMRTQA). A simple and efficient spectrofluorimetric technique demonstrates the quenching of the fluorescence intensity of TMRTQA upon addition of MNA within concentration limits of 2 nM to 1 μM. Binding constant and quantum yield have been determined in this study. Molecular docking studies have been performed to predict the best binding affinity and the possible interactions for the formation of complex between TMRTQA and MNA supporting the 1:1 stoichiometry. Density functional theory calculation also support the excitation wavelength and geometry optimization. MNA being a hazardous environmental pollutant has been successfully detected from the water sample by standard addition method.