2-aminofluorene-based imine compounds: Single crystal structure, vanadium(III) detection and anticancer activity

IF 4 2区化学 Q2 CHEMISTRY, PHYSICAL Journal of Molecular Structure Pub Date : 2025-02-20 DOI:10.1016/j.molstruc.2025.141810

Gurjaspreet Singh , Karampreet Kaur , Manraj Singh , Akshpreet Singh , Seyhan Öztürk , Parul , Necmi Dege , Baljinder Singh , Deepanjali Baliyan , Amarjit Kaur

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Abstract

The present paper reports the successful synthesis of three new 2-aminofluorene-appended Schiff's bases: FORMFLU, ANTFLU and BrFLU. The newly synthesized compounds were characterized by single crystal XRD, FT-IR, NMR (¹H and ¹³C) spectroscopy, TGA, and mass spectrometry. Crystallographic studies revealed that FORMFLU and BrFLU both have Monoclinic crystal system while ANTFLU has an orthorhombic lattice framework. All the compounds showed notable to commendable anticancer efficacy against Hela cervical cancer cell line. Computational molecular docking studies were conducted to elucidate the binding interactions mechanisms between ligands and proteins. The selective bonding of azomethine (-CN-) of FORMFLU chemosensor by Vanadium(III) ions was carried out using UV–Vis. technique. FORMFLU chemosensor showed magnificent selectivity and sensitivity towards vanadium-III ions with a detection limit of 2.44 µM. The results presented herein demonstrate the significant potential of FORMFLU chemosensors for the detection of Vanadium(III) ions in environmental, agricultural, and biological analysis systems.

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来源期刊

Journal of Molecular Structure 化学-物理化学

CiteScore

7.10

自引率

15.80%

发文量

2384

审稿时长

45 days

期刊介绍： The Journal of Molecular Structure is dedicated to the publication of full-length articles and review papers, providing important new structural information on all types of chemical species including: • Stable and unstable molecules in all types of environments (vapour, molecular beam, liquid, solution, liquid crystal, solid state, matrix-isolated, surface-absorbed etc.) • Chemical intermediates • Molecules in excited states • Biological molecules • Polymers. The methods used may include any combination of spectroscopic and non-spectroscopic techniques, for example: • Infrared spectroscopy (mid, far, near) • Raman spectroscopy and non-linear Raman methods (CARS, etc.) • Electronic absorption spectroscopy • Optical rotatory dispersion and circular dichroism • Fluorescence and phosphorescence techniques • Electron spectroscopies (PES, XPS), EXAFS, etc. • Microwave spectroscopy • Electron diffraction • NMR and ESR spectroscopies • Mössbauer spectroscopy • X-ray crystallography • Charge Density Analyses • Computational Studies (supplementing experimental methods) We encourage publications combining theoretical and experimental approaches. The structural insights gained by the studies should be correlated with the properties, activity and/ or reactivity of the molecule under investigation and the relevance of this molecule and its implications should be discussed.