Bimodal sensor employing a novel approach for simultaneous selective detection of Ni2+ and biomolecules via turn-on fluorescence supported by DFT and molecular docking

Abstract

A bimodal sensor, (E)-2-(4-(diphenylamino)styryl)-1-methylquinolin-1-ium (DSM), was designed and synthesized for the simultaneous fluorescence turn-on detection of Ni2+ ion and biomolecules such as ct-DNA, BSA, and ovalbumin. Due to its distinct size and steric properties, DSM exhibits different binding modes when interacting with Ni2+ and DNA/proteins. The probe DSM possesses dual functionalities, allowing it to selectively detect Ni2+ at one binding site while interacting with ct-DNA, BSA, and ovalbumin at another. Thus, interactions of DSM with Ni2+ result in fluorescence enhancement at 377 nm and 400 nm, with a detection limit of 1.53 μM and binding constant of 1.2 × 106 M−1. Moreover, the binding of DSM with Ni2+ has been demonstrated via UV-vis, mass spectra, Jobs plots and DFT analysis. Conversely, binding of DSM with ct-DNA, ovalbumin and BSA led to an increase in the fluorescence at 425 nm and 435 nm, respectively, with the detection limit at micromolar (ct-DNA) and nanomolar (BSA and ovalbumin) levels. These interactions have been validated through UV-vis spectroscopy, fluorescence studies, and molecular docking analysis. Thus, this study underscores the potential of DSM as a versatile tool for simultaneous detection of both metal ions and biomolecules with a unique bimodal approach.

Graphical abstract: Bimodal sensor employing a novel approach for simultaneous selective detection of Ni2+ and biomolecules via turn-on fluorescence supported by DFT and molecular docking

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Article information

Article type
Paper
Submitted
26 Feb 2025
Accepted
11 May 2025
First published
13 May 2025
This article is Open Access
Creative Commons BY license

Sens. Diagn., 2025, Advance Article

Bimodal sensor employing a novel approach for simultaneous selective detection of Ni2+ and biomolecules via turn-on fluorescence supported by DFT and molecular docking

H. Shinziya, A. K. Das, M. S. Kumar, A. Nag and M. Dolai, Sens. Diagn., 2025, Advance Article , DOI: 10.1039/D5SD00028A

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