Theoretical and experimental studies on mechanochromic triphenylamine based fluorescent "ON-OFF-ON" sensor for sequential detection of Fe and deferasirox.

Spectrochim Acta A Mol Biomol Spectrosc

Department of Chemistry, COMSATS University Islamabad, Abbottabad Campus, University Road, Abbottabad 22060, Pakistan. Electronic address:

Published: September 2023

AI Article Synopsis

  • - A novel TPA-based sensor called TTU was designed to show mechanochromic and AIEE properties, allowing it to detect iron (Fe) in water with high specificity due to its ability to form a complex with paramagnetic Fe.
  • - When deferasirox (DFX) is introduced to the TTU-Fe complex, the fluorescence of TTU is restored, indicating that DFX displaces Fe, which indicates a potential method for detecting DFX.
  • - The mechanisms behind the interactions of TTU with Fe and DFX were validated through H NMR titration and DFT calculations, and TTU proved effective in real water sample tests, also contributing to the development of a logic gate for sequential

Article Abstract

A novel triphenylamine (TPA) based sensor TTU was rationally designed and synthesized that exhibited reversible mechanochromic and aggregation induced emission enhancement (AIEE) properties. The AIEE active sensor was employed for fluorometric detection of Fe in aqueous medium, with distinguished selectivity. The sensor showed a highly selective quenching response towards Fe that is ascribed to complex formation with paramagnetic Fe. Subsequently, TTU-Fe complex acted as a fluorescence sensor for the detection of deferasirox (DFX). The subsequent addition of DFX to TTU-Fe complex led to the recovery of fluorescence emission intensity of sensor TTU that was attributed to the displacement of Fe by DFX and release of sensor TTU. The proposed sensing mechanisms for Fe and DFX was confirmed through H NMR titration experiment and DFT calculations. Frontier molecular orbitals (FMO), density of states (DOS), natural bond orbital (NBO), non-covalent interaction (NCI) and electron density difference (EDD) analysis were performed using DFT calculations to support the experimental results. Moreover, sensor TTU displayed colorimetric detection of Fe. Further, the sensor was employed for the detection of Fe and DFX in real water samples. Finally, logic gate was fabricated by using sequential detection strategy.

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http://dx.doi.org/10.1016/j.saa.2023.122745DOI Listing

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Theoretical and experimental studies on mechanochromic triphenylamine based fluorescent "ON-OFF-ON" sensor for sequential detection of Fe and deferasirox.

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Department of Chemistry, COMSATS University Islamabad, Abbottabad Campus, University Road, Abbottabad 22060, Pakistan. Electronic address:

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  • - A novel TPA-based sensor called TTU was designed to show mechanochromic and AIEE properties, allowing it to detect iron (Fe) in water with high specificity due to its ability to form a complex with paramagnetic Fe.
  • - When deferasirox (DFX) is introduced to the TTU-Fe complex, the fluorescence of TTU is restored, indicating that DFX displaces Fe, which indicates a potential method for detecting DFX.
  • - The mechanisms behind the interactions of TTU with Fe and DFX were validated through H NMR titration and DFT calculations, and TTU proved effective in real water sample tests, also contributing to the development of a logic gate for sequential
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