A resorcinarene-based "turn-off" fluorescence sensor for 4-nitrotoluene: Insights from fluorescence and 1H NMR titration with computational approach
- 1. Department of Chemistry, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat (India)
- 2. Department of Bioinformatics, Applied Botany Centre (ABC), University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat (India)
Description
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.
Availability note (English)
Available from http://dx.doi.org/10.1016/j.jlumin.2016.11.066Additional details
Identifiers
- DOI
- 10.1016/j.jlumin.2016.11.066;
- PII
- S0022-2313(16)31032-8;
Publishing Information
- Journal Title
- Journal of Luminescence
- Journal Volume
- 184
- Journal Page Range
- p. 74-82
- ISSN
- 0022-2313
- CODEN
- JLUMA8
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 49039959
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- CONFORMATIONAL CHANGES; FLUORESCENCE SPECTROSCOPY; FLUORINE COMPOUNDS; MOLECULAR DYNAMICS METHOD; NUCLEAR MAGNETIC RESONANCE; TNT
- Descriptors DEC
- CALCULATION METHODS; CHEMICAL EXPLOSIVES; EMISSION SPECTROSCOPY; EXPLOSIVES; HALOGEN COMPOUNDS; MAGNETIC RESONANCE; NITRO COMPOUNDS; ORGANIC COMPOUNDS; ORGANIC NITROGEN COMPOUNDS; RESONANCE; SPECTROSCOPY
Optional Information
- Copyright
- Copyright (c) 2016 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.