An imidazole-based Schiff-base chemosensor for selective, sensitive and reversible optical detection of Ni2+ ions in aqueous media: analytical and biological application
5 affiliations
- 1Department of Chemistry, Guru Ghasidas Vishwavidyalaya Bilaspur C.G 495009 India
- 2Department of Chemistry, Jadavpur University Kolkata 700032 India
- 3Department of Biotechnology, Guru Ghasidas Vishwavidyalaya Bilaspur C.G. 495009 India
- 4Veer Nangool Dorla Govt. College Awapalli Dist. Bijapur C. G. 494447 India
- 5Department of Chemistry, National Institute of Technology Silchar Assam 788010 India
Abstract
A novel imidazole-based Schiff-base chemosensor (LH) has been synthesized and investigated for the selective optical detection of Ni2+ ions in a 1 : 1 methanol–water medium. The receptor showed a highly selective response toward Ni2+ over other tested metal ions, producing a distinct colorimetric change and significant fluorescence quenching. The sensor exhibited low detection limits of 2.1 × 10−7 M and 1.98 × 10−7 M for absorption and fluorescence measurements respectively, with a 1 : 1 L–Ni2+ binding stoichiometry. The association constants were 4.7 × 106 M−1 from absorption studies and 2.6 × 106 M−1 from fluorescence studies. The sensing process was effective over a broad pH range and was reversible using Na2EDTA, allowing repeated sensing cycles. DFT/TDDFT calculations support formation of a high-spin tetrahedral [Ni(L)(H2O)2]+ complex, with Ni–N and Ni–O coordination reinforced by EDA and NBO analyses showing substantial electrostatic/orbital interactions and ligand-to-metal charge transfer. LH displayed antibacterial activity against E. coli and S. aureus, with MIC values of 6.25 µg mL−1 and 25 µg mL−1, respectively. It also demonstrated an INHIBIT-type molecular logic gate using Ni2+ and Na2EDTA as chemical inputs. Molecular docking with VEGFR-2 gave a best predicted binding affinity of −9.4 kcal mol−1, suggesting potential biomolecular recognition properties. Overall, LH represents a multifunctional system for selective Ni2+ sensing with analytical, biological, and molecular-recognition applications.
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BibTeX
@article{sahu2026imidazolebased,
title = {{An imidazole-based Schiff-base chemosensor for selective, sensitive and reversible optical detection of Ni2+ ions in aqueous media: analytical and biological application}},
author = {Devanand Sahu and Abhilash Pandey and Dwaipayan Patra and Annpurna Sahu and Amit Kumar Manna and Shanti Gopal Patra and Santosh Singh Thakur and Goutam Kumar Patra},
journal = {RSC advances},
year = {2026},
month = oct,
doi = {10.1039/d6ra07629g},
url = {https://europepmc.org/article/PMC/PMC13720778},
note = {CC BY-NC},
}
RIS
TY - JOUR
TI - An imidazole-based Schiff-base chemosensor for selective, sensitive and reversible optical detection of Ni2+ ions in aqueous media: analytical and biological application
AU - Devanand Sahu
AU - Abhilash Pandey
AU - Dwaipayan Patra
AU - Annpurna Sahu
AU - Amit Kumar Manna
AU - Shanti Gopal Patra
AU - Santosh Singh Thakur
AU - Goutam Kumar Patra
PY - 2026
DA - 2026/10/30
JO - RSC advances
DO - 10.1039/d6ra07629g
UR - https://europepmc.org/article/PMC/PMC13720778
AB - A novel imidazole-based Schiff-base chemosensor (LH) has been synthesized and investigated for the selective optical detection of Ni2+ ions in a 1 : 1 methanol–water medium. The receptor showed a highly selective response toward Ni2+ over other tested metal ions, producing a distinct colorimetric change and significant fluorescence quenching. The sensor exhibited low detection limits of 2.1 × 10−7 M and 1.98 × 10−7 M for absorption and fluorescence measurements respectively, with a 1 : 1 L–Ni2+ binding stoichiometry. The association constants were 4.7 × 106 M−1 from absorption studies and 2.6 × 106 M−1 from fluorescence studies. The sensing process was effective over a broad pH range and was reversible using Na2EDTA, allowing repeated sensing cycles. DFT/TDDFT calculations support formation of a high-spin tetrahedral [Ni(L)(H2O)2]+ complex, with Ni–N and Ni–O coordination reinforced by EDA and NBO analyses showing substantial electrostatic/orbital interactions and ligand-to-metal charge transfer. LH displayed antibacterial activity against E. coli and S. aureus, with MIC values of 6.25 µg mL−1 and 25 µg mL−1, respectively. It also demonstrated an INHIBIT-type molecular logic gate using Ni2+ and Na2EDTA as chemical inputs. Molecular docking with VEGFR-2 gave a best predicted binding affinity of −9.4 kcal mol−1, suggesting potential biomolecular recognition properties. Overall, LH represents a multifunctional system for selective Ni2+ sensing with analytical, biological, and molecular-recognition applications.
SN - 2046-2069
ER -