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

IF 4.7 2区化学 Q2 CHEMISTRY, PHYSICAL Journal of Molecular Structure Pub Date : 2025-07-05 Epub 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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2-氨基芴基亚胺化合物：单晶结构、钒（III）检测及抗癌活性

本文报道了三种新的2-氨基芴基席夫碱的成功合成：FORMFLU、ANTFLU和BrFLU。采用单晶XRD、FT-IR、NMR （1H和13C）谱、TGA和质谱对合成的化合物进行了表征。晶体学研究表明，FORMFLU和BrFLU均具有单斜晶系，而ANTFLU具有正交晶格框架。所有化合物对Hela宫颈癌细胞系均有显著的抗肿瘤作用。计算分子对接研究是为了阐明配体与蛋白质之间的结合相互作用机制。采用紫外可见光谱法对FORMFLU化学传感器的亚甲胺（- cn -）与钒（III）离子进行了选择性键合。技术。FORMFLU化学传感器对钒- iii离子具有良好的选择性和灵敏度，检测限为2.44µM。本文的研究结果表明，FORMFLU化学传感器在环境、农业和生物分析系统中检测钒（III）离子方面具有重要的潜力。

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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.