Inorganica Chimica Acta最新文献

{"title":"Novel transition metal (II) complexes of hydrazones as potential antitumor agents: Synthesis, characterization, DFT computations, cytotoxic activities, molecular docking and simulation studies","authors":"Hatice Gamze Sogukomerogullari ,&nbsp;Eyüp Başaran ,&nbsp;Reşit Çakmak ,&nbsp;Muhammed Tılahun Muhammed ,&nbsp;Senem Akkoc","doi":"10.1016/j.ica.2025.122634","DOIUrl":"10.1016/j.ica.2025.122634","url":null,"abstract":"<div><div>In this study, novel Cu(II), Co(II), and Fe(II) metal complexes comprising pyridine-based hydrazone ligands (L₁ and L₂) and their new mixed-ligand metal complexes with 1,10-phenanthroline (phen) were also prepared. The complexes were characterized by molar conductivity measurements, magnetic susceptibility, elemental analysis, fourier-transform infrared (FT-IR), mass, and Ultraviolet-visible (UV–Vis) spectroscopy. All the synthesized complexes were assessed in human lung (A549) and human liver cancer (HepG2) cell lines. In particular, two of the synthesized complexes, [Cu(L₁)(phen)(OAc)₂].3H₂O (<strong>4</strong>) and [Cu(L₂)(phen)(OAc)₂].3H₂O (<strong>10</strong>), exhibited a significantly elevated antiproliferative impact, demonstrating almost two and a half times greater efficacy in the A549 cell line and twenty times more effectiveness in the liver cancer cell line compared to the positive control drug cisplatin. Copper chelate complexes exhibited the highest level of activity in the in vitro activity analysis. The probable mechanism of action of the active ligand, copper chelate complexes, in this investigation was examined using molecular modeling. The binding affinity of the <strong>4</strong> and <strong>10</strong> copper chelate complexes to the nucleotide binding domain 1 (NBD1) of MRP1 was analyzed via molecular docking. The stability of the protein-ligand chelate complexes obtained from docking was investigated using molecular dynamics (MD) simulations.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"581 ","pages":"Article 122634"},"PeriodicalIF":2.7,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143600952","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"From cobalt(II), nickel(II) and copper(II) (2-thio)barbiturates to their imidazole-based complex salts: Synthesis, structure, physicochemical and biological properties","authors":"Alexander P. Lakeev ,&nbsp;Taisiya S. Sukhikh ,&nbsp;Alena G. Korzhova ,&nbsp;Olga Yu. Rybalkina ,&nbsp;Evgeny E. Buyko ,&nbsp;Natalia M. Korotchenko ,&nbsp;Irina A. Kurzina","doi":"10.1016/j.ica.2025.122643","DOIUrl":"10.1016/j.ica.2025.122643","url":null,"abstract":"<div><div>A series of metal(II) complexes based on 1,3-diazinane-2,4,6-trione (H₂BA, C₄H₄N₂O₃) or 2-sulfanylidene-1,3-diazinane-4,6-dione (H₂TBA, C₄H₄N₂O₂S) with the formula [M(H₂O)₄(HBA)₂] (<strong>1</strong>, <strong>2</strong>), [Cu(H₂O)₃(HBA)₂] (<strong>3</strong>) and [M(H₂O)₂(HTBA)₂] (<strong>4</strong>, <strong>5</strong>) (M = Co, Ni) were synthesized. These compounds were then used to obtain novel complex salts [M(H₂O)_<em>m</em>(Im)_<em>n</em>](H(T)BA)₂ · <em>p</em>H₂O (<em>m</em> = 0 or 2, <em>n</em> = 4 or 6, <em>p</em> = 0, 2 or 4) and [Cu(H₂O)(Im)₄](HBA)₂ · 3H₂O, where Im is 1<em>H</em>-imidazole (C₃H₄N₂). The isolated products were characterized using elemental analysis, FT-IR spectroscopy, XRD and TG–DSC. Complexes <strong>1–5</strong> were slightly soluble in water (–log<em>K</em>_sp ranged from 5.10 for <strong>5</strong> to 7.45 for <strong>4</strong>) and started to undergo oxidative degradation at 220–300 °C. The presence of [MH(T)BA]⁺ species in acidic solutions was revealed, and their β₁₁ values, which varied within a range of ∼2–3 log units, were determined using the solubility method and pH-metry. Metal(II) imidazole complexes, with some exceptions, were more soluble than <strong>1–5</strong>, but their decomposition started to occur at 130–175 and 325–450 °C for the Im and H(T)BAˉ moieties, respectively. The preservation of their inner coordination sphere after dissolution in water was confirmed by UV–Vis spectroscopy. The spectra had typical λ_max values for metal(II)–Im systems: ∼500 nm (Co²⁺), ∼632 nm (Ni²⁺) and ∼631 nm (Cu²⁺). In the crystal structures of salts, 3D supramolecular frameworks were assembled by water molecules, complex cations and corresponding anions through hydrogen bonding. During biological testing, only nickel(II) imidazole complexes demonstrated enhanced bacteriostatic activity against <em>E. coli</em>. The cytotoxicity of copper-based compounds was significantly higher for SKOV3 cancer cells than against HepG2 cells.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"582 ","pages":"Article 122643"},"PeriodicalIF":2.7,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143683559","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Evaluation of anticancer capacity, catalase interactions, molecular docking, and antioxidant studies of some diamagnetic (Pd, Pt, and Zn) Schiff base complexes","authors":"Somaye Shahraki ,&nbsp;Effat Dehghanian ,&nbsp;Kobra Shahraki","doi":"10.1016/j.ica.2025.122642","DOIUrl":"10.1016/j.ica.2025.122642","url":null,"abstract":"<div><div>New Schiff base complexes, including diamagnetic metal ions (Pd²⁺<strong>/C1</strong>, Pt²⁺<strong>/C2</strong>, Zn²⁺<strong>/C3</strong>), have been synthesized via appropriate conventional methods using 1-phenyl-1-(pyridin-4-ylimino) propan-2-one oxime (<strong>PPYO</strong>) as a Schiff base ligand. Theoretical studies confirmed that the <strong>C1-C3</strong> have high reactivity and pharmacological potential. The antioxidant activity of the <strong>C1-C3</strong> was determined using the DPPH (2,2-diphenyl-1-picrylhydrazyl) method and the following trend was obtained: <strong>C1</strong> &gt; <strong>C2</strong> &gt; <strong>C3</strong> &gt; <strong>PPYO</strong>. These complexes were able to present good cytotoxic effects on HCT116 colon cancer cells. The trend of anticancer activity is as follows: <strong>C2</strong> &gt; <strong>C1</strong> &gt; <strong>C3</strong>. Considering the importance of the antioxidant enzyme catalase in removing reactive oxygen species (ROS), the binding process of <strong>C1-C3</strong> with catalase was evaluated. The results showed that <strong>C1-C3</strong> can inhibit the catalytic performance of catalase. The <strong>C1-C3</strong> quenched the catalase fluorescence emission with a static quenching mechanism. The binding affinity to catalase was almost similar for all three complexes (K_b <strong>=</strong> 6.37 ± 0.33, 3.23 ± 0.14 and 4.57 ± 0.36 × 10⁵ M⁻¹ for <strong>C1</strong>, <strong>C2</strong> and <strong>C3</strong>, respectively at 303 K). In <strong>C1/C2</strong> interaction with catalase, which was an exothermic and spontaneous process, hydrogen bonds, van der Waals forces, and hydrophobic interactions played a decisive role and were strongly confirmed by molecular docking data. Tracking the structural changes of catalase showed that the enzyme undergoes structural changes in the presence of complexes.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"581 ","pages":"Article 122642"},"PeriodicalIF":2.7,"publicationDate":"2025-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143611662","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis, structural characterization, and biological evaluation of novel antimony(III) thiosemicarbazone complexes with uncommon geometries","authors":"Okan Ucar ,&nbsp;Ibrahim I. Ozturk ,&nbsp;Anita M. Grześkiewicz ,&nbsp;Maciej Kubicki ,&nbsp;Christina Banti ,&nbsp;Sotiris K. Hadjikakou","doi":"10.1016/j.ica.2025.122627","DOIUrl":"10.1016/j.ica.2025.122627","url":null,"abstract":"<div><div>The synthesis, structural characterization, and biological evaluation of novel antimony(III) thiosemicarbazone complexes containing thiophene-derived ligands are reported. Two complexes were synthesized: {[SbBr₂(κ²-N³,S-Hatetsc)]} (<strong>1</strong>) and {[SbCl₂(η¹-S-Hatmtsc)(κ²-N³,S-Hatmtsc)]} (<strong>2</strong>). X-ray crystallography revealed complex <strong>1</strong> adopts a distorted seesaw structure, while complex <strong>2</strong> has a distorted square pyramidal structure. Both complexes showed significant antiproliferative activity against HeLa cancer cells. They also exhibited enhanced antibacterial activity against Gram-negative bacteria, particularly <em>Escherichia coli</em>. This study highlights the potential of thiophene-based antimony(III) complexes as promising candidates for anticancer and antibacterial therapies.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"581 ","pages":"Article 122627"},"PeriodicalIF":2.7,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143592245","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A new macrocyclic dansyl-cyclen fluorescent probe for the identification of mildly acidic intracellular compartments","authors":"Daniele Paderni ,&nbsp;Daniele Lopez ,&nbsp;Annarita Ciavarella ,&nbsp;Mariele Montanari ,&nbsp;Giovanna Panza ,&nbsp;Maria Voccia ,&nbsp;Mauro Formica ,&nbsp;Barbara Canonico ,&nbsp;Eleonora Macedi ,&nbsp;Stefano Papa ,&nbsp;Vieri Fusi","doi":"10.1016/j.ica.2025.122620","DOIUrl":"10.1016/j.ica.2025.122620","url":null,"abstract":"<div><div>A new dansyl-based fluorescent probe containing the dimethylcyclen macrocycle scaffold (1,7-dimethyl-4,10-bis(dansyl)-1,4,7,10-tetraazacyclododecane, AJ2DAN) has been synthesized and fully characterized; it was designed based on a previous similar molecule (AJ2NBD), featuring two NBD (4-amino-7-nitrobenzo[1,2,5]oxadiazole) fluorophores in place of dansyl groups. Absorption and fluorescence emission spectra of AJ2DAN were recorded in both aqueous solution and organic solvents, always showing large Stokes shifts. In acidic solution the compound is very weakly fluorescent, while the emission increased by moving towards neutral pH. Moreover, a very high emission was detected in 1,4-dioxane, a solvent able to mimic the cell membrane polarity. The chemical response is reflected by the intracellular behaviour: by coupling AJ2DAN and LTDR labelling, it is possible to observe the lack of colocalization of “green” AJ2DAN^positive vesicles with LTDR^positive lysosomes, attesting a specificity for vesicular structures with mild acidic environment, such as autophagosomes and amphisomes. The autophagy inhibitor Chloroquine (CQ) has been used to prevent the fusion of autophagosomes with lysosomes and their consequent lysosomal degradation, thereby increasing the accumulation of autophagosomes: this drug enabled to set-up the protocol used in the present study. The new AJ2DAN molecule shows a high and pH-dependent quantum yield thus it lies in the field of fluorescent probes. Here, it has been demonstrated its possible use in the biological environment not only for cell imaging but also as pH-probe inside the biological compartments.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"581 ","pages":"Article 122620"},"PeriodicalIF":2.7,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143577759","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"An overview of the synthesis, structure and properties of heteronuclear europium(III)-transition metal complexes with salen type compartmental ligands having inner N2O2 and outer O4 cavities","authors":"Arabinda Chakraborty ,&nbsp;Puspendu Middya ,&nbsp;Shouvik Chattopadhyay","doi":"10.1016/j.ica.2025.122625","DOIUrl":"10.1016/j.ica.2025.122625","url":null,"abstract":"<div><div>The synthetic methodology and structures of various heteronuclear europium(III)-3d metal complexes of salen type N₂O₂O₂′ donor compartmental Schiff base ligands are discussed in this review. The magnetic properties of the complexes and their important applications are also briefly discussed. The less-studied uses of these complexes are highlighted in the review.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"581 ","pages":"Article 122625"},"PeriodicalIF":2.7,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143632085","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Group 10 metal complexes of the 3,4-bis(dicyclohexylphosphino)thiophene (dcypt) ligand: Synthesis, characterization and catalysis","authors":"Vincent Fagué ,&nbsp;Sonia Mallet-Ladeira ,&nbsp;Pascal Guillo ,&nbsp;Christophe Fliedel","doi":"10.1016/j.ica.2025.122610","DOIUrl":"10.1016/j.ica.2025.122610","url":null,"abstract":"<div><div>The nickel(II) (<strong>1</strong>), palladium(II) (<strong>2</strong>) and platinum(II) (<strong>3</strong>) complexes of the 3,4-bis(dicyclohexylphosphino)thiophene (<strong>dcypt</strong>) ligand were synthesized and characterized by multinuclear NMR and FT-IR spectroscopic techniques, mass spectrometry and elemental analysis. The nearly perfect square-planar geometry of the three complexes was confirmed by single-crystal X-ray diffraction analysis. Both complexes <strong>1</strong> (Ni) and <strong>2</strong> (Pd) were evaluated towards the Suzuki-Miyaura cross-coupling reaction between aryl halides and aryl boronic acids, a field that was not explored until now for metal complexes of <strong>dcypt</strong>. While the palladium(II) (pre)catalyst (<strong>2</strong>) was found very efficient for this transformation, both under “classical” (Cs₂CO₃ as base, 1,4-dioxane as solvent) and “green” (K₃PO₄ as base, <em>tert</em>-amyl alcohol (<em>t</em>AA) as solvent) reaction conditions, its nickel(II) analog (<strong>1</strong>) was only moderately active under the latter conditions (inactive under the former). Complex <strong>2</strong> was tolerant to both the presence of EDGs or EWGs groups on <em>para</em> position of the aryl halide or aryl boronic acid (72–99 %) and allowed the synthesis of polycyclic aromatic compounds. Moreover, the remarkable air-stability of <strong>dcypt</strong> and of its corresponding palladium(II) complex (<strong>2</strong>) allowed to perform Suzuki-Miyaura cross-coupling reactions under air and with a non-dried alcoholic solvent (<em>t</em>AA) without loss of activity.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"581 ","pages":"Article 122610"},"PeriodicalIF":2.7,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143627970","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesized Tetrakis (2-oxy benzylidene) - hyroanthracen-2-yloxy zinc and cobalt (II) Phthalocyanines: Structural, DFT and SEM-EDS study","authors":"Seda Erdem Cavdan ,&nbsp;Nursel Acar-Selcuki ,&nbsp;Dogan Kaya ,&nbsp;Ahmet Ekicibil ,&nbsp;Sevil Sener","doi":"10.1016/j.ica.2025.122614","DOIUrl":"10.1016/j.ica.2025.122614","url":null,"abstract":"<div><div>The Synthesis reaction, structural, spectroscopic, and binding characteristics of new Zn(II) and Co(II) phthalocyanine (Pc) complexes, denoted as Co-Pc (4) and Zn-Pc (5), respectively, containing two (2-oxybenzylidene) anthracene-dione groups, are described. Following the synthesis of 3-[(6-hydroxy-9,10-dihydroanthracen-2-yloxy)phthalonitrile] <strong>3</strong>, Zinc Phthalocyanine (Zn-Pc) <strong>4</strong> and Cobalt Phthalocyanine (Co-Pc) <strong>5</strong> were subsequently prepared via chemical reaction with zinc and cobalt salts in dimethylformamide under heat and vacuum conditions. SEM image analysis confirmed homogeneous formation for both Zn-Pc and Co-Pc compounds, with average size of 470 nm and 69 nm, respectively. Compounds <strong>3, 4</strong>, and <strong>5</strong> were characterized using elemental analysis, UV–Visible spectroscopy, Fourier Transform-Infrared Spectroscopy, 1H-Nucleer Magnetic Resonans Spectroscopy, and Q-TOF MS. Additionally, Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT) calculations were performed to investigate the structural and electronic properties of compounds <strong>4</strong> and <strong>5</strong>. Many phthalocyanine compounds have been synthesized to date, however, the synthesis of Compound <strong>4</strong> with corrosion inhibitors properties is particularly significant in this research.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"581 ","pages":"Article 122614"},"PeriodicalIF":2.7,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143577760","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis, structural characterization and DFT study of a cobalt(III)/cobalt(II) complex derived from N,O donor reduced Schiff base ligand","authors":"Rabi Sankar Sarkar ,&nbsp;Snehasis Banerjee ,&nbsp;Shouvik Chattopadhyay","doi":"10.1016/j.ica.2025.122618","DOIUrl":"10.1016/j.ica.2025.122618","url":null,"abstract":"<div><div>The present work descries the strategic design and synthesis of a dinuclear mixed-valence Co(III)/Co(II) complex, [(N₃)Co^IIIL^r(<em>μ-O</em>_<em>2</em><em>CR</em>^<em>1</em>)Co^II(N₃)]·CH₃OH<strong>,</strong> which has been synthesized using an N₂O₄ donor compartmental ligand, H₂L^r {(2,2-dimethyl-1,3-propanediyl)bis(iminomethylene)bis(6-ethoxyphenol)}, CoCl₂·6H₂O, benzoic acid (<em>R</em>^<em>1</em><em>CO</em>_<em>2</em><em>H</em>) and NaN₃ in 1: 2: 1: 2 ratio. Single crystal X-ray diffraction structure confirms the presence of a Co₂O₂ core in the complex. Co(III) center is present in the inner N₂O₂ donor pocket and cobalt(II) center is trapped in the outer O₂O′₂ donor pocket, as confirmed by bond length consideration and BVS calculation. Experimental effective magnetic moment supports the presence of three unpaired electron in the complex. DFT calculation is performed to confirm th oxidation state of The high spin configuration is 28.2 kcal/mol more stable than the low spin configuration at the CAM-B3LYP/Lanl2DZ/6-31G(d) level of theory, thus supporting the quadruplet nature of the complex.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"581 ","pages":"Article 122618"},"PeriodicalIF":2.7,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143563297","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A “naked-eye” Naphthalimide based Chemosensor for CN− ion detection: Investigating its application as test-strips, Smartphone Analysis & Molecular Logic gate and its TD-DFT study","authors":"Gurdeep Kaur ,&nbsp;Iqubal Singh ,&nbsp;Gurpinder Singh ,&nbsp;Deepak Kumar","doi":"10.1016/j.ica.2025.122615","DOIUrl":"10.1016/j.ica.2025.122615","url":null,"abstract":"<div><div>It is unanimously known that cyanide (CN⁻) is one of the most toxic ions because it can interfere with the body's physiological phenomenon causing endocrine disorders, respiratory failure, hypoxia, vascular necrosis, and even death. Therefore, it is essential to develop cost-effective, sensitive, rapid, and efficient methods for sensing CN⁻ ions. The naphthalimide-based highly selective probe <strong>1</strong> was successfully synthesized in a multi-step process. Probe <strong>1</strong> displayed high selectivity and specificity against cyanide (CN⁻) ion and exhibited naked eye changes accompanied by “turn-off” fluorescence behavior. The introduction of CN⁻ ion into the probe solution shows a visible color change from yellow to blue. Further, the optical methods were employed to determine the sensing performance of probe <strong>1</strong> towards CN⁻ ion. The CN⁻ ion detection limit was 5.47 μM with a binding constant of 1.52 × 10⁵ M⁻¹. The fluorescence quenching efficiency towards cyanide ion was found to be 73.21 %, with the Stern-Volmer quenching constant to be 1.22 × 10⁵ M⁻¹. Job's plot analysis revealed 1:1 stoichiometric binding between probe <strong>1</strong> and CN⁻ ion, further supported by FT-IR analysis, mass analysis, ¹H NMR titrations, and TD-DFT study. Probe <strong>1</strong> finds its practical application for detecting CN⁻ ion using the test strip method. In addition, chemically switchable fluorescent dyes provide helpful building blocks for developing intricate molecular devices that communicate via adjustments in their emission characteristics; therefore, probe <strong>1</strong> was also used to establish molecular logic gates.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"581 ","pages":"Article 122615"},"PeriodicalIF":2.7,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143592247","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}