Inorganica Chimica Acta最新文献

{"title":"SNS pincer type Pd(II), Ni(II), and Fe(II) complexes: Synthesis, structural characterization, cytotoxic activity studies, molecular docking and simulation studies","authors":"Hatice Gamze Sogukomerogullari ,&nbsp;Salih Sinan Solak ,&nbsp;Senem Akkoc ,&nbsp;Ayşegül Köse ,&nbsp;Muhammed Tılahun Muhammed ,&nbsp;Mehmet Sönmez","doi":"10.1016/j.ica.2025.122728","DOIUrl":"10.1016/j.ica.2025.122728","url":null,"abstract":"<div><div>A novel SNS pincer-type ligand, 2,6-bis[[(2-chlorophenyl)thio]carbonyl]pyridine (L), along with its metal complexes (L-Ni, L-Pd, L-Fe), were synthesized and examined through a variety of analytical techniques, including X-ray crystallography (for the ligand), NMR spectroscopy, UV–Vis spectroscopy, FT-IR spectroscopy, molar conductivity, and elemental analysis methods. X-ray single crystal structure determination was employed to characterize the molecular structure of ligand (L). A four-coordinated square planar shape characterizes the Pd complex, in contrast to the five-coordinate distorted trigonal bipyramidal geometry seen in the molecular structures of Fe and Ni complexes around their metal centers. The L-Pd pincer complex is bidentate, while the L-Fe, and L-Ni pincer complexes are tridentate. Within the scope of this study, the synthesized ligand and its palladium, nickel, and iron complexes were tested against two different human cancer cell lines for 48 and 96 h. According to the results obtained, the nickel and iron complex together with the ligand has a cytotoxic effect against both cancer cell lines tested. Consequently, the nickel complex (L-Ni) was identified as the most effective compound on the lung cancer cell line in the experiments. The binding potential of the synthesized compounds to 3Dpol was explored through molecular modeling as some compounds with similar scaffolds were reported to be inhibitors of this target. The docking study disclosed that the compounds could bind to the 3Dpol structure. The molecular dynamics (MD) simulation study disclosed that compound L formed a stable complex with the target structure and could remain inside its binding site during the simulation time.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"584 ","pages":"Article 122728"},"PeriodicalIF":2.7,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143864619","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 chiral coordination polymer with both fluorescence enhancement and photo-chromism","authors":"Ya Liu ,&nbsp;La-Hong Gong ,&nbsp;Yu-Ting Zhang ,&nbsp;Pen-Ji Yan ,&nbsp;Xiao-Qiang Yao","doi":"10.1016/j.ica.2025.122726","DOIUrl":"10.1016/j.ica.2025.122726","url":null,"abstract":"<div><div>A luminescent coordination polymer, {[Zn(TIPA)(D-cam)]·H₂O}_n(1), where TIPA = tris(4-(1H-imidazol-1-yl)phenyl)amine and D-H₂cam = D (+)-camphorate dianion, was successfully synthesized. This polymer exhibits a two-fold polythreading architecture characterized by undulated grid structures with a (4, 4) net topology. Unlike previously reported luminescent coordination polymers based on TIPA, the emission intensity of compound <strong>1</strong> is significantly higher than that of TIPA, with a slight red shift. This enhancement can be attributed to the electron-donating properties and flexibility of D-H₂cam. The investigation of the photoluminescence mechanism revealed that the emission of <strong>1</strong> originates from the intraligand charge transfer transitions (π → π*). In addition, <strong>1</strong> exhibits a good ability to recognize Fe³⁺, Cr₂O₇²⁻, nitromethane, and nitrobenzene. Interestingly, compound <strong>1</strong> also demonstrates a rapid photochromic reaction to UV irradiation under environmental conditions. This can be attributed to electron transfer (ET) between the polyimidazole ligand TIPA and D-H_₂cam.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"583 ","pages":"Article 122726"},"PeriodicalIF":2.7,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143847337","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":"Assessment of the antimicrobial activity of Dinuclear Pt/Pt, Pt/Zn and Pt/cu complexes: Insights from docking studies","authors":"Svetlana Jeremić ,&nbsp;Violeta Jakovljević ,&nbsp;Darko Anđelković ,&nbsp;Emilija Pecev-Marinković ,&nbsp;Enisa Selimović","doi":"10.1016/j.ica.2025.122723","DOIUrl":"10.1016/j.ica.2025.122723","url":null,"abstract":"<div><div>This study reports the successful synthesis and characterization of four novel dinuclear complexes, <strong>D2a</strong>, <strong>D2b</strong>, <strong>D2c</strong>, and <strong>D2d</strong>. These complexes incorporate complex [Pt(DMEAIm^iPr)Cl₂] on one side and cisplatin, transplatin, [ZnCl_{<strong>2</strong>}(terpy)], or [CuCl_{<strong>2</strong>}(terpy)] on the other, connected by</div><div>4,4′-bipyridine as a bridging ligand. The antimicrobial activity of the complexes was systematically evaluated. The <strong>D2a</strong> complex demonstrated strong activity against <em>S. aureus ATCC, P. aeruginosa ATCC</em>, and <em>E. faecalis ATCC</em>, while the <strong>D2b</strong> complex exhibited the highest efficacy in inhibiting <em>E. faecalis ATCC</em>. The <strong>D2c</strong> complex displayed potent activity across all tested bacterial strains, and the <strong>D2d</strong> complex showed exceptional inhibitory effects against <em>E. faecalis ATCC</em>. The inhibitory activity of the considered complex compounds to inhibit the gyrases of the mentioned bacterial species, as well as <em>E. coli</em>, was investigated using the molecular docking method. In is shown that all tested compounds can inhibit <em>S. aureus</em>' gyrase even more successfully than the drug Doxycycline, while only complexes D2a and D2b show significant activity against gyrases of other bacterial species. The mechanism of antibacterial action of complex compounds examined in this way indicated agreement between theoretically obtained results and those obtained experimentally.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"583 ","pages":"Article 122723"},"PeriodicalIF":2.7,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143855123","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":"Exploring ferrocenyl derivatives of sulfa-drugs as potential antimalarial and anti-Mycobacterium tuberculosis agents","authors":"Katleho Setlaba ,&nbsp;Vuyo Mavumengwana ,&nbsp;Lucinda Baatjies ,&nbsp;Malcolm T. Ndlovu ,&nbsp;Catherine H. Kaschula ,&nbsp;Prinessa Chellan","doi":"10.1016/j.ica.2025.122725","DOIUrl":"10.1016/j.ica.2025.122725","url":null,"abstract":"<div><div>A series of new ferrocenyl sulfonamide derivatives (<strong>C1</strong>-<strong>C5</strong>) were synthesized from ferrocene carboxylic acid. The complexes were evaluated for their <em>in vitro</em> antimicrobial activities against <em>Plasmodium falciparum</em> and <em>Mycobacterium tuberculosis</em> H37Rv strains. They demonstrated moderate activities against the chloroquine-sensitive (NF54) strain of <em>Plasmodium falciparum</em>, with complex <strong>C2</strong> being the most active, displaying an IC₅₀ value of 3.715 μM. Furthermore, the complexes were non-cytotoxic towards the human embryonic kidney and normal prostate cells, indicating their selectivity towards parasitic cells. The complexes also exhibited moderate activity against <em>Mycobacterium smegmatis mc</em>^<em>2</em><em>155</em>, with an increase in activity observed against the <em>Mycobacterium tuberculosis</em> H37Rv strain. Among the complexes, <strong>C3</strong> was the most active, displaying a MIC range of 31.73–15.86 μM. Moreover, all the complexes showed 10-fold greater potency than Isoniazid.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"584 ","pages":"Article 122725"},"PeriodicalIF":2.7,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143869199","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":"Plumbylenes based on redox-active ligands: Synthesis, optoelectronic properties and electrochemical behavior","authors":"Sofya A. Fedoseeva ,&nbsp;Pavel G. Shangin ,&nbsp;Victoriya A. Balycheva ,&nbsp;Irina V. Krylova ,&nbsp;Nina M. Ivanova ,&nbsp;Dmitry A. Bunin ,&nbsp;Mikhail A. Syroeshkin ,&nbsp;Mikhail P. Egorov ,&nbsp;Sergey S. Karlov","doi":"10.1016/j.ica.2025.122724","DOIUrl":"10.1016/j.ica.2025.122724","url":null,"abstract":"<div><div>At present, the chemistry of low-valent derivatives of the 14th group elements continues to develop intensively, primarily tetrylenes, i.e. carbenes and their heavy analogues – silylenes, germylenes, stannylenes and plumbylenes. This is related, among other things, with their promising properties as catalysts, new materials, etc. In this range the greatest stability is demostrated by the derivatives of Pb⁺²; moreover, among those listed only for lead derivatives, the main oxidation state is +2, and not +4. Despite this, their physicochemical properties, including redox and optoelectronic features, are the least studied. In this work, we obtained four lead(II) derivatives with redox-active ligands based on Schiff bases. Both the data from electron absorption spectroscopy and the study of redox behavior by cyclic voltammetry show that the obtained products have a fairly small HOMO/LUMO gap of about 3 eV or less. Complexation with lead in all cases promotes quenching of fluorescence of ligands both in solid form and in solution. Solutions of the compounds in DMF are electrochemically reduced in the moderate (−1.5..-2.0 V vs Fc⁺/Fc) region. The product of electrochemical reduction of plumbylenes is metallic lead, which was additionally confirmed by controlled potential electrolysis and subsequent study of the deposit obtained on the cathode using scanning electron microscopy and energy-dispersive X-ray spectroscopy. The studied plumbylenes are oxidized in DMF in a very soft potential range – +0.1.. + 0.7 V vs Fc⁺/Fc, which demonstrates the high level and availability of their HOMO. Thus, the presence of a strong electron pair donor in the coordination sphere of Pb(II) can be effectively used in the design of the plumbylenes structure in order to increase the availability of their HOMO and impart valuable and useful properties, such as the ability to readily undergo oxidative addition reactions.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"583 ","pages":"Article 122724"},"PeriodicalIF":2.7,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143844986","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 2D Zn(II)-based coordination polymer as highly sensitive selective fluorescent probe for of glutathione","authors":"Shan-Qi Li ,&nbsp;Mithun Kumar Ghosh ,&nbsp;Yong-Qi Zhang ,&nbsp;Jun-Cheng Jin ,&nbsp;Mohammad Khalid Parvez ,&nbsp;Mohammed S. Al-Dosari ,&nbsp;Tanmay Kumar Ghorai ,&nbsp;Feng Xu","doi":"10.1016/j.ica.2025.122718","DOIUrl":"10.1016/j.ica.2025.122718","url":null,"abstract":"<div><div>Fluorescence-based sensing has emerged as an effective strategy for detecting biomolecules with high sensitivity and selectivity. In this study, a new Zn(II)-based coordination polymer (CP), {Zn(Cl-L)(DPP)]·1.5DMF}_n <strong>(1)</strong>, was synthesized and explored as a fluorescence sensor for the detection of glutathione (GSH). The coordination polymer was synthesized via a solvothermal method, and its structural characterization was confirmed using X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FT-IR), and X-ray photoelectron spectroscopy (XPS). <strong>CP 1</strong> exhibited strong quenched upon interaction with GSH, indicating a strong binding affinity. Mechanistic investigations, including Inner Filter Effect (IFE) correction and XPS analysis, confirmed that the fluorescence quenching was primarily attributed to IFE and possible electron transfer interactions between <strong>1</strong> and GSH. The quenching constant (<em>K</em>_sv) was determined to be 0.993 × 10⁻³ M⁻¹, and the detection limit (LOD) was calculated as 2.38 × 10⁻⁵ M, highlighting the high sensitivity of the sensor. Additionally, fluorescence lifetime analysis showed a decrease from 41.2 μs to 33.1 μs upon GSH interaction, indicating significant changes in the excited-state molecular environment. The practical applicability of this sensing method was evaluated in real water samples, including deionized (DI) water, tap water, and river water, with excellent recovery rates ranging from 93.04 % to 100.98 % and relative standard deviations (<em>RSD</em>) below 2.2 %, confirming the reliability and accuracy of the method. This study establishes <strong>1</strong> as an effective, selective, and sensitive fluorescence probe for GSH detection, with potential applications in environmental monitoring, biomedical diagnostics, and clinical research.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"583 ","pages":"Article 122718"},"PeriodicalIF":2.7,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143844989","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 facile chemical modification of polystyrene copolymer to its amine functional derivative: Exploration of Pd separation from PUREX originated simulated raffinate under acidic conditions","authors":"K. Ariramganapathi ,&nbsp;A.S. Suneesh ,&nbsp;V. Hemalatha ,&nbsp;N. Ramanathan","doi":"10.1016/j.ica.2025.122715","DOIUrl":"10.1016/j.ica.2025.122715","url":null,"abstract":"<div><div>Pd separation from a synthetic acidic formulation mimicking the high active radioactive waste composition that could originate from nuclear fission of U (or Pu) has been studied by using a styrene based polymer-chemically functionalized with amine moiety. For this purpose, a straightforward synthetic protocol was adopted to introduce an amine moiety into a polystyrene copolymer by reacting chloromethylated resin with the ‘amine donor’ precursor, diethyelenetriamine. The emergence of the N<img>H signature in the adsorbent by the disappearing C<img>Cl functional group of the resin precursor, as observed by FTIR, and the signature of N 1 s of the adsorbent, observed based on XPS studies, revealed the formation of the adsorbent, in addition to the thermogravimetric studies that corroborate a characteristic thermal degradation pattern typical of a polystyrene network. To qualify the adsorbent for Pd removal from nuclear waste, preliminary Pd adsorption studies from an acidic medium were performed by batch mode and fixed-bed adsorption using an extraction chromatography column. The studies revealed that Pd uptake increases with acidity, reaching a maximum of 5 M. A faster separation of Pd with a maximum adsorption capacity of approximately 710 mg/g and a breakthrough adsorption capacity of approximately 42 mg/g were achievable. An ion-exchange interaction between Pd and the amine ligand was attributed based on the XPS study, and the variation of N<img>H vibrational stretching frequency with the increase in Pd concentration further corroborates the interaction between Pd and the amine moiety of the adsorbent. Fitting of the experimental data with different reaction kinetics and adsorption isotherm models suggests a pseudo-second-order type interaction between Pd and the amine ligands in the polystyrene matrix, wherein the interaction is mostly governed by a mono layered interaction of the Langmuir type. The recovery of adsorbed Pd from the resin was investigated using thiourea as a complexing agent. The Pd uptake was examined from acidic solutions in presence of a large excess of metal ions present in radioactive waste that corresponded to the compositions of PUREX raffinate.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"583 ","pages":"Article 122715"},"PeriodicalIF":2.7,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143847339","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":"Near-infrared luminescence in different conjugate ancillary ligands erbium(III) complexes with via ligand and metal centred excitation","authors":"Xiqiang Tian ,&nbsp;Yanping Dong ,&nbsp;Xiaoyu Zhao ,&nbsp;Shoulei Huang ,&nbsp;Keda Wang","doi":"10.1016/j.ica.2025.122717","DOIUrl":"10.1016/j.ica.2025.122717","url":null,"abstract":"<div><div>Four mononuclear <em>β</em>-diketone compounds with near-infrared (NIR) luminescence characteristics were synthesized and characterized by changing the ancillary ligand of different conjugated structures. The central erbium(III) ion coordinates with three <em>β</em>-diketone (1-(1-ethyl-1H-indol-3-yl)-4,4,4-trifluorobutane-1,3-dione (EIFD)) ligands and one acetone (<strong>1</strong>), one 1,10-phenanthroline (phen) (<strong>2</strong>), one dipyrazine [2,3-f: 2′,3′-h] quinoxaline (dpq) (<strong>3</strong>), one dipyrido [3,2-a:2′,3′-c] phenazine (dppz) (<strong>4</strong>), respectively. The crystal structures of compounds <strong>1</strong>–<strong>4</strong> with the erbium(III) ions of seven (<strong>1</strong>)/eight (<strong>2</strong>–<strong>4</strong>) coordinated configuration are determined by single-crystal X-ray diffraction. The NIR luminescence properties of compounds <strong>1</strong>–<strong>4</strong> were experimentally investigated by replacing the solvent acetone with nitrogen-containing ancillary ligands such as phen, dpq and dppz. This study investigates the emission lifetimes of the central Er(III) ions in these compounds.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"583 ","pages":"Article 122717"},"PeriodicalIF":2.7,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143839140","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":"Regulation of AIE activity of bis(4-ethylphenylethynyl)platinum(II) complex based on 4,4′-divinyl-2,2′-bipyridine ligand and its application in the development of “turn-on” type Ag+ luminescent probe","authors":"Mengmeng Cai,&nbsp;Bolun Zhang,&nbsp;Jianjun Zhang,&nbsp;Jun Ni","doi":"10.1016/j.ica.2025.122719","DOIUrl":"10.1016/j.ica.2025.122719","url":null,"abstract":"<div><div>Three Pt (II)-based complexes, Pt(DiVbpy)(C≡CC₆H₄Et-4)₂ <strong>(1)</strong>, {Ag[Pt(DiVbpy)(C≡CC₆H₄Et-4)₂]₂}NO₃ <strong>(2)</strong> and Ag[Pt(DiVbpy)(C≡CC₆H₄Et-4)₂]NO₃ <strong>(3)</strong> based on 4,4′-divinyl-2,2′-bipyridine (DiVbpy) and 4-ethylphenylacetylene ligands were designed and synthesized. Complex <strong>1</strong> displays an orange luminescence in CH₂Cl₂ solution arising from the¹MLCT and¹LLCT transitions and shows a weak AIE activity. In CH₂Cl₂ solution, <strong>3</strong> emits a stronger luminescence and shows a superior AIE activity compared to <strong>1</strong>. In contrast, complex <strong>2</strong>, which has a similar composition to <strong>3</strong>, exhibits weak luminescence in CH₂Cl₂ solution and lacks AIE activity. Through systematic research on the structure, luminescent properties, and results of theoretical calculations, we found that the introduction of AgNO₃ to restrict the free rotation of molecular groups and control the distance between adjacent molecules may be one of the strategies to promote the AIE-active of diimine Pt(II) bis(σ-acetylide) complex. In addition, based on the unique properties of <strong>2</strong>, a “turn-on” type luminescent probe for detecting Ag⁺ was designed and developed.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"583 ","pages":"Article 122719"},"PeriodicalIF":2.7,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143844985","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 dual functional Schiff base: Selective sensing of V(III) and Sn(II) and antibacterial evaluation via molecular docking","authors":"Gurjaspreet Singh,&nbsp;Karampreet Kaur,&nbsp;Pooja Malik,&nbsp;Manraj Singh,&nbsp;Parul,&nbsp;Vandana Sharma,&nbsp;Harshbir Kaur,&nbsp;Abhi,&nbsp;Amarjit Kaur","doi":"10.1016/j.ica.2025.122708","DOIUrl":"10.1016/j.ica.2025.122708","url":null,"abstract":"<div><div>A new Schiff base (BASB) was successfully created and characterized in this study employing mass spectrometry, FT-IR spectroscopy, ¹H NMR and ¹³C NMR techniques. BASB probe exhibited selective detection of Sn(II) and V(III) in the presence of competing metal, demonstrating negligible interference. The probe exhibited low detection limits of 16.7 × 10⁻⁷ M for Sn(II) and 85 × 10⁻⁸ M for V(III). Additionally, it demonstrated good association constant values of 0.19 × 10⁴ M⁻¹ for Sn(II) and 0.26 × 10⁵ M⁻¹ for V(III). The metal-ligand interaction stoichiometry, demonstrated by Job's plot analysis, verified a 1:1 complexation ratio between both metal and BASB. The formation of Sn(II)-BASB and V(III)-BASB complexes was further validated through ¹H NMR and FT-IR spectral analysis.</div><div>Beyond its sensing capabilities, the bacterial inhibition of BASB was explored via molecular docking against two strains of <em>E. coli</em>. The results were compared with Amoxicillin, a commonly used antibacterial drug and demonstrated the promising antibacterial activity of BASB. These findings highlight the dual-functional nature of BASB as both a highly selective metal sensor and a potential antibacterial agent, making it a valuable candidate for environmental and biomedical applications.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"583 ","pages":"Article 122708"},"PeriodicalIF":2.7,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143844987","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}