Coumarin-hydrazone-based fluorescence sensor for Al(III) detection in aqueous solution: DFT calculation and DNA interaction studies European Journal of Chemistry 14 (3) (2023) 330-336 European Journal of Chemistry ISSN 2153-2249 (Print) / ISSN 2153-2257 (Online) – Copyright © 2023 The Authors – Atlanta Publishing House LLC – Printed in the USA. This work is published and licensed by Atlanta Publishing House LLC – CC BY NC – Some Rights Reserved. https://dx.doi.org/10.5155/eurjchem.14.3.330-336.2432 European Journal of Chemistry View Journal Online View Article Online Coumarin-hydrazone-based fluorescence sensor for Al(III) detection in aqueous solution: DFT calculation and DNA interaction studies Sunshine Dominic Kurbah 1,* and Ndege Simisi Clovis 2 1 Department of Chemistry, Pandit Deendayal Upadhyaya Adarsha Mahavidyalaya, Eraligool-788723, Karimganj, Assam, India 2 Department of Chemistry, Faculty of Science and Technology, University of Kinshasa, Kinshasa, Democratic Republic of Congo * Corresponding author at: Department of Chemistry, Pandit Deendayal Upadhyaya Adarsha Mahavidyalaya, Eraligool-788723, Karimganj, Assam, India. e-mail: sunshinekurbah@yahoo.com (S.D. Kurbah). 10.5155/eurjchem.14.3.330-336.2432 Received: 08 March 2023 Received in revised form: 06 May 2023 Accepted: 04 June 2023 Published online: 30 September 2023 Printed: 30 September 2023 A new 'turn on' fluorescence chemosensor derived from coumarin-based compounds was successfully synthesised. N'-(2-Oxo-2H-chromene-3-carbonyl)isonicotinohydrazide (H2L) was characterised by different spectroscopic techniques such as IR, UV-vis, and NMR spectroscopy. The electronic structures of H2L and Al@HL were calculated using the density functional theory method using Becke’s three parameter Lee-Yang-Parr (B3LYP) exchange functional with the 6-31G+(d,p) basis set. The detection limit of H2L for the Al (III) ion was found to be 2.6 µM, which is low enough to detect micromolar and is below the World Health Organisation guideline for drinking water. DFT Coumarin Selectivity Sensitivity Aluminum ion Fluorescence sensor Cite this: Eur. J. Chem. 2023, 14(3), 330-336 Journal website: www.eurjchem.com 1. Introduction In recent years, the development of highly sensitive and selective chemosensors for the detection of metal ions and anions has been of special interest to many researchers [1-4]. Not only because of their importance in living systems, medicine, and the environment, but also because they play essential roles in biological, chemical, ecological, and endocrine systems [5-8]. These metal ions and anions are also related to diverse environmental issues and other health-related problems. Therefore, analyses of these metal ions and anions both qualitatively and quantitatively have received significant attention [9-11]. Among the various metal elements, aluminium is the most abundant metal and is also known for its widespread use in daily life [12,13]. It is commonly used in the production of storage/cooking utensils, aluminium foils, alloys, food additives, and in the pharmaceutical industry. It is abundantly found in nature and is the third most prevalent metallic element in the crust of the Earth [14,15]. However, recently it has been shown to have considerable toxicity in biological systems and is widely known as a neurotoxic agent [16]. In the human body, the presence of unregulated amounts of aluminium could adversely affect the central nervous system of humans and cause many diseases such as Alzheimer’s disease, Parkinson’s disease, impaired memory, amyotrophic lateral sclerosis, and dialysis encephalopathy [17,18]. Therefore, the use of aluminium in medicine such as antacids and other aluminium-based pharmaceuticals, food additives, bleached flour, cooking utensils, and in the paper industry makes it more vulnerable to exposure to the environment to the trivalent ionic form of Al (III), leading to contamination of drinking water [19,20]. The Al(III) ion can also enter our brain, placenta, and foetus through the iron binding protein which acts as a carrier. Hence, the concentration of Al(III) in our body should be maintained at < 2 mg/g [17]. In this regard, the Environmental Protection Agency, USA, has set the standard amount of Al(III) ion in drinking water at 50 ppm [21,22]. Therefore, to encourage the public health benefits, the World Health Organisation (WHO) has recommended that the maximum level of Al(III) ion conta- mination is 7.4 μM in drinking water [23]. Thus, developing an efficient chemosensor for the rapid and sensitive detection of Al (III) ions is vital to comply with these standards and has gained great scientific interest among analytical chemists [3,4]. Existing methods including atomic absorption spectrometry (AAS), graphite furnace atomic absorption spectrometry (GF-AAS), inductively coupled plasma mass spectroscopy (ICP-MS), inductively coupled plasma atomic ABSTRACT RESEARCH ARTICLE KEYWORDS https://dx.doi.org/10.5155/eurjchem.14.3.330-336.2432 https://www.eurjchem.com/ https://dx.doi.org/10.5155/eurjchem.14.3.330-336.2432 mailto:sunshinekurbah@yahoo.com http://www.eurjchem.com/ https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.14.3.330-336.2432&domain=pdf&date_stamp=2023-09-30 Kurbah and Clovis / European Journal of Chemistry 14 (3) (2023) 330-336 331 2023 – European Journal of Chemistry – CC BY NC – DOI: 10.5155/eurjchem.14.3.330-336.2432 N O H N N H OO O O O O O N O N H NH2 + Ethanol 45 mins Scheme 1. The synthetic route of the compound H2L. emission spectrometry (ICP-AES), and electrochemical methods have been used for the detection of Al(III) ion [24,25]. Although these methods are sensitive, there are many limitations associated with them due to high cost, high background signals, and a tedious treatment of the sample. Therefore, the development of materials for a sensitive, selective, and effective detection method for Al(III) ion sensing is essential. Herein, we report a chemosensor for Al(III) ions based on coumarin with the desired properties for Al(III) ion analysis. 2. Experimental 2.1. Materials and instrumentation The solvents were of reagent grade and were used as received. Other chemicals were E-Merck, Himedia, and equivalent grades, and all solvents were used as received. All operations were performed under aerobic conditions. C, H, and N were determined using a microanalytical method using the Perkin-Elmer 2400 CHN Analyser 11. Infrared spectra in the 4000-200 cm-1 range were recorded as KBr discs by using a BX- III/FTIR Perkin Elmer Spectrophotometer. 1H NMR spectra were recorded on a Bruker Avance II 400 instrument in CDCl3, solution using TMS as an internal standard. Electronic spectra were recorded on a Perkin-Elmer Lambda-25 spectrophoto- meter. 2.2. Synthesis of N'-(2-oxo-2H-chromene-3-carbonyl) isonicotinohydrazide (H2L) An ethanolic solution of ethyl coumarin carboxylate (0.22 g, 1 mmol) was added dropwise to a solution of isonicotinic hydrazide (0.14 g, 1 mmol) in ethanol under stirring conditions and the resulting solution was refluxed for 20 minutes and then stirred at room temperature for 1 hour. It afforded a white crystalline compound and dried under vacuum for further study (Scheme 1). N'-(2-Oxo-2H-chromene-3-carbonyl)isonicotinohydrazide (H2L): Color: White. Yield: 93%. M.p.: 193-211 °C. FT-IR (KBr, ν, cm-1): 3417, 3271, 3059, 1678, 1592, 1530, 1478, 1342, 1281, 1150. 1H NMR (400 MHz, CDCl3, δ, ppm): 8.55 (s, 1H, NHa), 7.68- 7.62 (m, 4H, Ar-H), 7.38-7.33 (m, 4H, Ar-H), 7.29 (s, 1H, Ar-H), 5.06 (s, 1H, NHb). 13C NMR (100 MHz, CDCl3, δ, ppm): 173, 168, 167, 155, 154, 143, 138, 130, 127, 124, 123, 122, 120, 118, 117, 28, 27. Anal. calcd. for C16H11N3O4: C, 62.14; H, 3.59; N, 13.59. Found C, 62.11; H, 3.62; N, 13.61%. 2.3. Fluorescence sensing study Fluorescence detection experiments were performed using an aqueous ethanol-water solution (9:1, v/v) at room temperature. Fluorescence spectra were obtained with a Hitachi F-4500 spectrophotometer with quartz cuvette (path length = 1 cm). Fluorescence spectral measurements of water samples containing Al(III) were carried out by adding 15 ml of sensor H2L (3 mM) and 0.60 ml of 50 mM bis-Tris buffer stock solution to 2.3 ml sample solution. After the mixture was mixed for a few seconds, the fluorescence spectra were taken at room temperature. 2.4. DNA-binding studies The DNA binding study experiments involving the binding of Al@HL with ct-DNA were performed by titration of the compounds with DNA and monitoring the changes spectros- copically. With a constant concentration of Al@HL (25 µM), the DNA concentration gradually increased (2.5-25.0 µM) and fluorescence titration was performed. The binding constant (Ka) for the Al@HL ensemble with ct-DNA was calculated using a Benesi-Hildebrand plot. 2.5. Computational studies The electronic properties of the H2L and Al@HL complex have been investigated by means of density functional theory (DFT) calculations. Theoretical studies were performed in the gas phase using density functional theory (DFT) with 6-31G+(d,p) basis sets implemented in the Gaussian09 programme. 2.6. Competition with other metal ions The interaction between H2L with different metal cations was investigated by fluorescence spectroscopy in aqueous ethanol-water solution (9: 1, v/v) at room temperature. The H2L stock solution was prepared at a concentration of 1.0 mM and diluted to 50 mM. The fluorescence experiment was carried out by adding 1.3×10-4 M of different metal ions solutions, such as Zn2+, Ni2+, Cu2+, Cd2+, Hg2+, Co2+, Fe2+, Ag2+, Mg2+, Cr3+, Ca2+, Na+, K+, Li+, and Pb2+ to the H2L solution (1.3×10-4 M). After the mixture was mixed for a few seconds, fluorescence spectra were obtained at room temperature. 3. Results and discussion 3.1. Synthesis and characterization The H2L probe was synthesised in good yield by simple reactions of ethyl coumarin carboxylate with isonicotinic hydrazide in a 1:1 molar ratio in ethanol solution (Scheme 1). H2L was characterised by 1H NMR spectroscopy. The H2L shows a resonance at δ 8.55 and 5.06 ppm which are assigned to the NHa and NHb protons. The aromatic protons appeared at the expected position in the range of δ 7.29-7.68 ppm. 3.2. Fluorescence sensing study The fluorescence detection study of Al@HL was evaluated using an ethanol-water mixture (9:1, v/v) by fluorescence spectral analysis at room temperature. As shown in Figure 1, H2L excited at 405 nm shows very weak and broad emission in the range of 400 to 550 nm with a maximum wavelength at 465 nm. The fluorescence experiment was carried out by adding 1.3×10-4 M of different metal ions, such as Zn2+, Ni2+, Cu2+, Cd2+, Hg2+, Co2+, Fe2+, Ag2+, Mg2+, Cr3+, Ca2+, Na+, K+, Li+, and Pb2+. Upon the addition of these metal ions, the fluorescence intensity remains the same without enhancement, but upon addition 332 Kurbah and Clovis / European Journal of Chemistry 14 (3) (2023) 330-336 2023 – European Journal of Chemistry – CC BY NC – DOI: 10.5155/eurjchem.14.3.330-336.2432 Figure 1. Fluorescence spectra of the complex after the addition of the Al(III) ion (2.0 equiv.) and other metal ions in ethanol/H2O solution (v/v, 9:1). (a) (b) Figure 2. (a) Fluorescence spectral changes in the presence of 10-100 µM Al(III) ions in buffer solution and (b) Benesi-Hildebrand plot of fluorescence titration of H2L with Al(III) ions. 3.5×10-4 M of the Al(III) ion resulted in a maximum increase in intensity as shown in Figure 1. Fluorescence enhancement was derived from the strong complexation of H2L with the Al(III) ion, which inhibits C=N isomerisation and the photoinduced electron transfer process [26]. Fluorescence titration experiments were carried out by titrating H2L with Al(III) ion (0.0-4.0 equiv.). However, the intensity of fluorescence emission of H2L gradually increases with increasing concent- ration of the Al(III) ion, as shown in Figure 2. The emission wavelength shows red-shifted to 475 nm upon the addition of 1 equivalent of Al(III) ion. These obtained results can be attributed to inhibition of the photoinduced electron transfer process after complexation of H2L with the Al(III) ion, which significantly enhanced the fluorescence with a large red-shift change in emission wavelength. Furthermore, from the above fluorescence titration profile, we have calculated the association constant of the Al@HL complex using the Benesi-Hildebrand plot and it was found to be 5.56×101 M- 1. Therefore, the detection limits for Al(III) ions were calculated (Equation 1) and were found to be 2.75×10-6 M , which is sufficiently low to detect the micromolar. The results were comparable to some selective and sensitive fluorescent sensors reported in the literature and recognised the Al(III) ion in environmental and biological samples [27]. Limit of detection (LOD) = 3.3×σ Slope (1) σ is the standard deviation of the response. Kurbah and Clovis / European Journal of Chemistry 14 (3) (2023) 330-336 333 2023 – European Journal of Chemistry – CC BY NC – DOI: 10.5155/eurjchem.14.3.330-336.2432 (a) (b) Figure 3. (a) Fluorescence titration spectra of Al@HL with incremental addition of ct-DNA (0.0-2.0 equiv.) and (b) Benesi-Hildebrand plot of fluorescence titration of Al@HL with ct-DNA. 3.3. DNA binding studies The binding studies of Al@HL complex with ct-DNA were studied using fluorescence spectroscopy. Metal complexes can bind to DNA by electrostatic interaction, groove binding, and intercalative binding [28]. The affinity of Al@HL toward ct-DNA was monitored by the change in emission intensity during fluorescence titration. As shown in Figure 3a, upon the addition of ct-DNA (0.0-2.0 equiv.), the solution of Al@HL decreases the fluorescence intensity of Al@HL, resulting in quenching of fluorescence. The quenching of fluorescence is probably due to the interaction of ct-DNA and the removal of the coordinated Al(III) ion from the Al@HL. The fluorescence intensity plot versus the concentration of ct-DNA at 475 nm shows good linearity, which allows quantitative detection of ct-DNA. The binding constant (Ka) for the Al@HL ensemble with ct-DNA was calculated using the Benesi-Hildebrand plot and was found to be 6.528×104 M-1 (Figure 3b). To understand the complex binding behaviour of the H2L and Al(III) ions, spectroscopic titration experiments were also performed using 1H NMR spectroscopy. The experiment was carried out by adding 0.5-2.0 equivalents of the Al (III) ion to the solution of H2L in the CDCl3 solution. Upon the addition of 0.5 equivalent of Al(III) ion, the proton (NHb) decreases its intensity upon the addition of 0.5-2.0 equivalents of Al(III), as shown in Figure 4. These results suggested that the amine proton might interact strongly with the Al(III) ions, resulting in deproto- nation. Similarly, there are also significant shifts in the aromatic protons. These results suggested that there is a strong binding of the Al(III) ion with H2L, resulting in the formation of a rigid complex through the oxygen and nitrogen donor atoms of the ligand. 3.4. Computational studies To further evaluate the binding properties and geometry of the Al @ HL complex and the corresponding shift in the absorption spectra of H2L-Al(III), we performed a calculation using density functional theory with the hybrid functional B3LYP and the 6-31G+(d,p) basis set [29-32]. The optimised geometries of H2L and Al@HL are shown in Figure 5 and the bond lengths and bond angles are given in Tables 1 and 2. The H2L ligand binds to metal ions in a tridentate fashion through O19, N21, and O3 donor atoms. The metal ligand bond lengths are 1.957 Å (O3-Al34), 1.940 Å (O19-Al34), 1.974 Å (N21-Al34), 2.286 Å (Cl36-Al34), 2.283 Å (Cl37-Al34) and 1.99 Å (O35-Al34). The metal ligand bond angles are 87.32° (O3- Al34-N21), 80.80° (N21-Al34-O19), 168.11° (O3-Al34-O19), 96.92° (N21-Al34-Cl37), 83.21° (Cl37-Al34-O35), 177.63° (N21-Al34-O35) and 95.05° (O3-Al34-O35). As shown in Figure 5a, the ligand is involved in the intramolecular hydrogen bond interaction, with a bond distance of 1.98 Å. The HOMO-LUMO orbitals of H2L and Al@HL are shown in Figure 6. HOMO and LUMO analysis have been used to calculate the ionisation potential (IP), electron affinity (EA), electro- negativity (χ), electrophilicity index (ω), hardness (η), chemical potential (μ), and first electron excitation (τ) are all correlated and given in Table 3. 334 Kurbah and Clovis / European Journal of Chemistry 14 (3) (2023) 330-336 2023 – European Journal of Chemistry – CC BY NC – DOI: 10.5155/eurjchem.14.3.330-336.2432 Table 1. Bond lengths (Å) of H2L and Al@HL. H2L Al@HL Atom Atom Bond length Atom Atom Bond length Atom Atom Bond length Atom Atom Bond length O3 C2 1.216 C12 O13 1.240 O3 C2 1.240 C14 N20 1.332 C2 O1 1.383 C12 N21 1.353 C2 O1 1.356 C14 O19 1.270 C2 C4 1.465 N20 N21 1.378 C2 C4 1.450 C14 C15 1.480 O1 C11 1.366 C14 N20 1.364 O1 C11 1.370 C15 C16 1.399 C10 C11 1.396 C14 O19 1.230 C10 C11 1.394 C16 C17 1.395 C9 C10 1.392 C14 C15 1.501 C9 C10 1.392 C17 N30 1.340 C8 C9 1.407 C15 C16 1.399 C8 C9 1.408 N30 C31 1.340 C7 C8 1.387 C16 C17 1.395 C7 C8 1.386 C18 C31 1.395 C6 C7 1.412 C17 N30 1.341 C6 C7 1.412 C15 C18 1.401 C5 C6 1.432 N30 C31 1.339 C6 C11 1.407 03 Al34 1.957 C4 C5 1.363 C18 C31 1.397 C5 C6 1.429 N21 Al34 1.974 C6 C11 1.409 C15 C18 1.401 C4 C5 1.367 O19 Al34 1.940 C4 C12 1.495 C4 C12 1.499 O35 Al34 1.990 C12 O13 1.245 Cl36 Al34 2.286 C12 N21 1.345 Cl37 Al34 2.283 N20 N21 1.378 Table 2. Bond angles (°) of H2L and Al@HL. H2L Al@HL Atom Atom Atom Bond angles Atom Atom Atom Bond angles Atom Atom Atom Bond angles Atom Atom Atom Bond angles O1 C2 O3 117.02 C4 C12 O13 121.89 O1 C2 O3 114.15 O19 C14 C15 121.11 O3 C2 C4 126.39 O13 C12 N21 121.01 O3 C2 C4 127.44 C14 C15 C16 118.42 C2 O1 C11 123.43 C12 N21 N20 117.37 C2 O1 C11 123.19 C15 C16 C17 118.52 C2 C4 C12 122.11 N21 N20 C14 119.27 C2 C4 C12 123.04 C16 C17 N30 123.75 C2 C4 C5 120.13 N20 C14 C15 115.86 C2 C4 C5 118.92 C17 N30 C31 117.26 O1 C11 C10 117.58 N20 C14 O19 121.20 O1 C11 C10 117.50 N30 C31 C18 123.74 O1 C11 C6 120.78 O19 C14 C15 122.94 O1 C11 C6 120.27 C15 C18 C31 118.50 C9 C10 C11 118.62 C14 C15 C16 117.74 C9 C10 C11 118.25 C16 C15 C18 118.23 C8 C9 C10 120.98 C15 C16 C17 118.73 C8 C9 C10 120.96 C14 C15 C18 123.35 C7 C8 C9 119.91 C16 C17 N30 123.74 C7 C8 C9 120.13 N21 Al34 O19 80.80 C6 C7 C8 120.33 C17 N30 C31 117.13 C6 C7 C8 120.20 N21 Al34 Cl37 96.92 C11 C6 C5 117.47 N30 C31 C18 123.76 C11 C6 C5 117.37 N21 Al34 Cl36 96.86 C5 C6 C7 124.02 C15 C18 C31 118.64 C5 C6 C7 124.39 N21 Al34 O3 87.32 C4 C5 C6 121.60 C16 C15 C18 118.00 C4 C5 C6 121.85 N21 Al34 O35 177.63 C5 C4 C12 117.76 C14 C15 C18 124.26 C5 C4 C12 118.04 O3 Al34 O19 168.11 C4 C12 O13 120.63 O3 Al34 O35 95.05 O13 C12 N21 124.10 O3 Al34 Cl37 88.92 C12 N21 N20 113.29 O3 Al34 Cl36 88.76 N21 N20 C14 115.92 Cl36 Al34 Cl37 165.90 N20 C14 C15 120.72 Cl36 Al34 O35 83.14 N20 C14 O19 118.17 Cl37 Al34 O35 83.21 Figure 4. 1H NMR spectra of (a) H2L only and H2L in the presence of (b) 0.5 equiv., (c) 1.0 equiv., (d) 1.5 equiv., and (e) 2.0 equiv. of Al(III) in CDCl3. Charges distribution analysis on individual atom obtained from NBO analysis for H2L and Al@HL [32]. The charges on oxygen are -0.478 (O1), -0.559 (O3), -0.648 (O13) and -0.600 e (O19) while those of nitrogen are -0.446 (N20), -0.434 (N21) and -0.424 e (N30) in H2L, whereas the charges of these atoms in Al@HL are -0.665 (O3), -0.446 (O1), -0.656 (O13), -0.713 (O19), -0.381 (N20), -0.586 (N21), -0.417 (N30) and 1.692 (Al34). As we have seen, upon the formation of an Al@HL complex, the charge increases slightly on the coordinated atom, giving rise to charge transfer to Al(III) in the complexation. The geometrical parameters obtained and the charge distribution were compared with the literature and are in good agreement [33,34]. Kurbah and Clovis / European Journal of Chemistry 14 (3) (2023) 330-336 335 2023 – European Journal of Chemistry – CC BY NC – DOI: 10.5155/eurjchem.14.3.330-336.2432 (a) (b) Figure 5. (a) Optimised geometrical structure of H2L and (b) Al@HL. LUMO LUMO ↕ ΔE = 3.034 eV ↕ ΔE = 2.632 eV HOMO HOMO Figure 6. Energy level diagrams of HOMO and LUMO orbitals of H2L and Al@HL complex calculated on the DFT level using a B3LYP method. Table 3. Quantum chemical properties for H2L and Al@HL. Parameters H2L Al@HL Self-consistent field energy (a.u.) -1081.547 -2320.464 Dipole moment (Debye) 7.224 7.527 LUMO energy (eV) -2.933 -3.322 HOMO energy (eV) -5.967 -5.954 Energy gap (eV) 3.034 2.632 Ionization potential (eV) 5.967 5.954 Electron affinity (eV) 2.933 3.322 Chemical hardness (eV) 1.517 1.316 Global softness (eV-1) 0.330 0.380 Electronegativity (eV) 4.450 4.638 Chemical potential (eV) -4.450 -4.638 Electrophilicity (eV) 6.527 8.173 4. Conclusion We have designed and synthesised a simple fluorescent chemosensor derived from coumarine that can be used for the detection of Al(III) ions. The fluorescence sensing study of Al@HL was carried out using ethanol-water. The fluorescence spectrum of H2L when excited at 405 nm shows very weak and broad emission. Moreover, upon addition of different metal ions, the fluorescence intensity shows no change, whereas upon addition of Al(III) ions resulted in a maximum increased in intensity. The fluorescence enhancement was derived from the strong complexation of H2L with Al(III), inhibiting the C=N isomerisation and the photoinduced electron transfer process. Acknowledgements Sunshine Dominic Kurbah would like to thank Head Sophisticated Analytical Instruments Facility (SAIF), North-Eastern Hill University, Shillong-793022, India, for providing NMR spectra. Computer Centre, North Eastern Hill University, for providing high-performance computing facilities. Disclosure statement Conflict of interest: The authors declare that they have no conflict of interest. Ethical approval: All ethical guidelines have been adhered. Sample availability: Samples of the compounds are available from the author. CRediT authorship contribution statement Conceptualization: Sunshine Dominic Kurbah; Methodology: Sunshine Dominic Kurbah; Software: Sunshine Dominic Kurbah, Ndege Simisi Clovis; Validation: Sunshine Dominic Kurbah, Ndege Simisi Clovis; Formal Analysis: Sunshine Dominic Kurbah, Ndege Simisi Clovis; Investigation: Sunshine Dominic Kurbah, Ndege Simisi Clovis; Resources: Sunshine Dominic Kurbah, Ndege Simisi Clovis; Data Curation: Sunshine Dominic Kurbah, Ndege Simisi Clovis; Writing - Original Draft: Sunshine Dominic Kurbah, Ndege Simisi Clovis; Writing - Review and Editing: Sunshine Dominic Kurbah, Ndege Simisi Clovis; Visualization: Sunshine Dominic Kurbah, Ndege Simisi Clovis. 336 Kurbah and Clovis / European Journal of Chemistry 14 (3) (2023) 330-336 2023 – European Journal of Chemistry – CC BY NC – DOI: 10.5155/eurjchem.14.3.330-336.2432 ORCID and Email Sunshine Dominic Kurbah sunshinekurbah@yahoo.com https://orcid.org/0000-0001-5029-3815 Ndege Simisi Clovis ndgclo@gmail.com https://orcid.org/0000-0001-9161-3109 References [1]. 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This work is published and licensed by Atlanta Publishing House LLC, Atlanta, GA, USA. The full terms of this license are available at http://www.eurjchem.com/index.php/eurjchem/pages/view/terms and incorporate the Creative Commons Attribution-Non Commercial (CC BY NC) (International, v4.0) License (http://creativecommons.org/licenses/by-nc/4.0). By accessing the work, you hereby accept the Terms. This is an open access article distributed under the terms and conditions of the CC BY NC License, which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited without any further permission from Atlanta Publishing House LLC (European Journal of Chemistry). No use, distribution, or reproduction is permitted which does not comply with these terms. Permissions for commercial use of this work beyond the scope of the License (http://www.eurjchem.com/index.php/eurjchem/pages/view/terms) are administered by Atlanta Publishing House LLC (European Journal of Chemistry). mailto:sunshinekurbah@yahoo.com mailto:ndgclo@gmail.com https://orcid.org/0000-0001-9161-3109 http://www.eurjchem.com/index.php/eurjchem/pages/view/terms http://creativecommons.org/licenses/by-nc/4.0 http://www.eurjchem.com/index.php/eurjchem/pages/view/terms 1. Introduction 2. Experimental 2.1. Materials and instrumentation 2.2. Synthesis of N'-(2-oxo-2H-chromene-3-carbonyl) isonicotinohydrazide (H2L) 2.3. Fluorescence sensing study 2.4. DNA-binding studies 2.5. Computational studies 2.6. Competition with other metal ions 3. Results and discussion 3.1. Synthesis and characterization 3.2. Fluorescence sensing study 3.3. DNA binding studies 3.4. Computational studies 4. Conclusion Acknowledgements Disclosure statement CRediT authorship contribution statement ORCID and Email References PrintField10: PrintField11: PrintField12: PrintField13: PrintField14: PrintField15: PrintField16: PrintField20: PrintField21: PrintField22: PrintField23: PrintField24: PrintField25: PrintField26: