Inorganica Chimica Acta最新文献

{"title":"Syntheses, electrochemical sensors and desulfurization of three octamolybdate-based hybrids decorated by multiple N-donor ligands","authors":"Xia Yu ,&nbsp;Zhenyu Shi ,&nbsp;Yanhua Yu ,&nbsp;Yuguo Zheng ,&nbsp;Qingqing Guo ,&nbsp;Xiaoyan Li ,&nbsp;Jie Zhao ,&nbsp;Weiran Long","doi":"10.1016/j.ica.2025.122841","DOIUrl":"10.1016/j.ica.2025.122841","url":null,"abstract":"<div><div>Three new octamolybdates-based hybrid compounds, [Ag₂(H₃X)₂](Mo₈O₂₆)·2H₂O (<strong>1</strong>), [Cu₂(H₂Y)₂(H₂O)₄](Mo₈O₂₆)·3H₂O (<strong>2</strong>) and [Ag₄(H₂Y)₄][Mo₈O₂₆] (<strong>3</strong>) (H₂X = 2,6-dimethyl-3,5-bis(pyrazol-3-yl)pyridine, H₂Y = 3-(1H-pyrazol-4-yl)-5-(pyridine-2-yl)-1,2,4-triazole), were obtained using different multiple N-donor ligands under hydrothermal conditions. Their characteristics were identified by single crystal X-ray diffraction analyses, elemental analyses, thermogravimetric analyses (TG) and infrared spectra analyses (IR). The structure of compound <strong>1</strong> is a three-dimensional (3D) supramolecular network composed of 2D layers [Ag₂(H₃X)₂(Mo₈O₂₆)] and crystal water molecules through hydrogen bonds. In compound <strong>2</strong>, (Mo₈O₂₆)⁴⁻ anions function as bidentate bridging ligands to join [Cu₂(H₂Y)₂(H₂O)₄]⁴⁺ units into a 1D chain. Compound <strong>3</strong> is assembled by π‧‧‧π stacking interactions between double chains [Ag₄(H₂Y)₄(Mo₈O₂₆)]_n. Cyclic voltammetry measurements demonstrate that compounds <strong>1</strong>–<strong>3</strong> can serve as versatile bifunctional electrocatalysts, capable of mediating the reduction of KBrO₃, NaNO₂, and H₂O₂, as well as facilitating the oxidation of ascorbic acid (AA).They also can serve as amperometric sensors for NO₂⁻. Additionally, their photocatalytic properties were evaluated by the degradation of Methylene blue (MB). Compared with the synthetic precursors of compound <strong>2</strong>, it exhibits better catalytic oxidation desulfurization (ODS) efficiency towards thioanisole (MBT). As a heterogeneous catalyst, compound <strong>2</strong> displays good cyclic stability. After 4 cycles of use, the MBT conversion rate decreases only from an initial 98.7 % to 94 %.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"588 ","pages":"Article 122841"},"PeriodicalIF":2.7,"publicationDate":"2025-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144680615","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":"Directing protonation equilibrium and reduction in [Fe2(CO)6{μ-(SCH2)2(Ph)P=O] via tailored acid modulation","authors":"Laith R. Almazahreh ,&nbsp;Federica Arrigoni ,&nbsp;Hassan Abul-Futouh ,&nbsp;Giuseppe Zampella ,&nbsp;Wolfgang Weigand","doi":"10.1016/j.ica.2025.122840","DOIUrl":"10.1016/j.ica.2025.122840","url":null,"abstract":"<div><div>This study investigates how acid interactions at the phosphine oxide (P=O) site of the diiron dithiolato complex [Fe₂(CO)₆{(μ-SCH₂)₂(Ph)P=O}] (<strong>1</strong>) influence its reduction behavior. Using cyclic voltammetry and density functional theory (DFT) calculations, we show that the nature and strength of the acid dictate the interaction mode at the P<img>O site; either via hydrogen bonding or protonation. Pyridinium tetrafluoroborate ([HPy][BF₄], p<em>K</em>_a^MeCN = 12.53) induces hydrogen bonding, leading to a modest anodic shift (∼80 mV), whereas <em>p</em>-cyanoanilinium tetrafluoroborate ([HCA][BF₄], p<em>K</em>_a^MeCN = 7.00) facilitates protonation, causing a more pronounced shift (∼200 mV). These findings highlight the role of P<img>O in modulating the redox properties of complex <strong>1</strong> and provide insight into designing proton-responsive hydrogenase mimics.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"588 ","pages":"Article 122840"},"PeriodicalIF":2.7,"publicationDate":"2025-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144687482","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":"N2O2 Schiff-Base nickel(II) and iron(III) template complexes of 2-hydroxy-5-ethoxyacetophenone S-methylthiosemicarbazone: Synthesis, characterization, DFT calculations, molecular docking, and antioxidant activity","authors":"Qumars Poladian ,&nbsp;Berat İlhan-Ceylan ,&nbsp;Olcay Bölükbaşı-Yalçınkaya ,&nbsp;Burçin Türkmenoğlu ,&nbsp;Yasemin Kurt","doi":"10.1016/j.ica.2025.122844","DOIUrl":"10.1016/j.ica.2025.122844","url":null,"abstract":"<div><div>Two new complexes, [Ni (L)] (<strong>1</strong>) and [Fe (L)Cl] (<strong>2</strong>), were synthesized through template condensation of 2-hydroxy-5-ethoxyacetophenone <em>S</em>-methylthiosemicarbazone (H₂L¹) with 2-hydroxy-4-methoxybenzaldehyde in the presence of nickel(II) and iron(III) ions. The complexes were characterized using elemental analysis, magnetic measurements, FT-IR, UV–Vis, ESI-MS and ¹H NMR spectra. In order to gain further insights into their structural features<strong>,</strong> Density Functional Theory (DFT) calculations were employed to optimize the geometries and predict vibrational frequencies of the complexes, providing valuable insights into their structural stability and bonding interactions. The frontier molecular orbital (HOMO and LUMO) analyses were conducted for the optimized geometries to evaluate the electronic properties and chemical reactivity. The computational results confirmed the proposed square-planar geometry for (<strong>1</strong>) and square-pyramidal geometry for (<strong>2</strong>). TD-DFT analyses predicted the theoretical UV–Vis spectra and compared with experimental spectra. Molecular docking analyses were performed with EGFR (PDB ID: <span><span>4HJO</span><svg><path></path></svg></span>) and B-DNA (PDB ID: <span><span>1BNA</span><svg><path></path></svg></span>). Binding parameters and ADME analyses were also conducted. The antioxidant capacity of the compounds were examined using the CUPRAC (cupric reducing antioxidant capacity) method, and their radical scavenging activity was determined by the DPPH (1,1-Diphenyl-2-picrylhydrazyl) assay. [Ni(L)] exhibited higher antioxidant activity compared to [Fe(L)Cl] and the ligand (H₂L¹) in the CUPRAC assay.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"588 ","pages":"Article 122844"},"PeriodicalIF":3.2,"publicationDate":"2025-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144738518","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":"Mn(II), Co(II), and Cu(II) complexes of the iodo derivative of “Heena”: synthesis, characterization, X-crystal structures, and anticancer activity","authors":"Sunita Salunke-Gawali ,&nbsp;Manisha Gaikwad ,&nbsp;Vivek Mokashi ,&nbsp;Dipali N. Lande ,&nbsp;Shridhar P. Gejji ,&nbsp;Harsha Ashtekar ,&nbsp;Ray J. Butcher","doi":"10.1016/j.ica.2025.122837","DOIUrl":"10.1016/j.ica.2025.122837","url":null,"abstract":"<div><div>2-Hydroxy-1,4-naphthoquinone (<strong>HLW</strong>) is a principal constituent of the ‘<em>Heena</em>’ plant leaves. Several C(3) derivatives of <strong>HLW</strong> possess enhanced pharmacological efficacy. This study presents the synthesis and characterization of iodine-based naphthoquinone, 2-hydroxy-3-iodo-1,4-naphthoquinone (<strong>HILW)</strong>, and its manganese(II) (<strong>ILW</strong>-<strong>Mn</strong>), cobalt(II) (<strong>ILW</strong>-<strong>Co</strong>), and copper(II) (<strong>ILW</strong>-<strong>Cu</strong>) complexes. These complexes were characterized through FT-IR, UV–visible spectroscopy, single-crystal X-ray diffraction (SC-XRD), electron paramagnetic resonance (EPR), and electrochemical experiments. The general molecular formula of the complexes is [M(ILW)₂(H₂O)₂]. SC-XRD analysis further showed that <strong>ILW</strong>-<strong>Mn</strong> and <strong>ILW</strong>-<strong>Cu</strong> complexes are crystallized in the monoclinic space group <em>P2</em>_<em>1</em><em>/n</em> and triclinic <em>P-1</em>, respectively. SC-XRD studies point to the presence of O-H⋯O, C-H⋯O, and C-H⋯I interactions in crystal environments. The molecular and crystal structures of <strong>HILW</strong> and its complexes were studied using Hirshfeld surface analysis and fingerprint plots, which unveil intermolecular interactions. Their cytotoxic potentials against the human brain tumor cell line LN18 were examined using MTT and SRB assays. The biotoxicity of <strong>ILW</strong>-<strong>Mn</strong> and <strong>ILW</strong>-<strong>Cu</strong> complexes demonstrates substantially larger therapeutic potential than <strong>ILW</strong>-<strong>Co</strong> or <strong>HILW</strong> ligands.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"588 ","pages":"Article 122837"},"PeriodicalIF":2.7,"publicationDate":"2025-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144680614","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":"Tetravalent thorium and uranium complexes with cucurbit[6]uril: Direct coordination and second-shell interactions","authors":"Yingjie Zhang ,&nbsp;Stephanie Bird ,&nbsp;Thanh Ha Nguyen ,&nbsp;Inna Karatchevtseva","doi":"10.1016/j.ica.2025.122838","DOIUrl":"10.1016/j.ica.2025.122838","url":null,"abstract":"<div><div>In contrast to the well-established coordination chemistry of cucurbit[6]uril {Q[6]} with lanthanide ions, Q[6] complexes with tetravalent actinide ions are less studied and only limited to thorium(IV) ions. Herein, we report the synthesis and characterization of new Q[6] complexes with thorium(IV) and also extend to uranium(IV) ions. While complexes {[Th(H₂O)₅Cl]₂Q[6]}·2(CdCl₄)·2Cl·10H₂O (<strong>1</strong>) and {[Th(H₂O)₅Cl]₂Q[6]}·2(Ru₂O₂Cl₉)·8.666H₂O (<strong>2</strong>) were synthesized by direct reactions of thorium nitrate with Q[6] in 3 M HCl solution with the addition of CdCl₂ or RuCl₃, complexes {[U(H₂O)₅Cl]₂Q[6]}·2(ZnCl₄)·2Cl·6H₂O (<strong>3</strong>) and {U(H₂O)₉Q[6]}·2(ZnCl₄)·12.5H₂O (<strong>4</strong>) were obtained from one-pot reaction of uranyl nitrate and Q[6] in a 6 M HCl solution, with added zinc metal. Both complexes <strong>1</strong> and <strong>2</strong> contain {[Th(H₂O)₅Cl]₂Q[6]}⁶⁺ unit with two [Th(H₂O)₅Cl]³⁺ species tridentate coordinated to the two portals of Q[6] forming an unsymmetrical closed capsule. Similarly, complex <strong>3</strong> contains a {[U(H₂O)₅Cl]₂Q[6]}⁶⁺ unit with two [U(H₂O)₅Cl]³⁺ ions tridentate coordinated to the two portals of Q[6], charge balanced with (ZnCl₄)²⁻ anions. In contrast, complex <strong>4</strong> has no direct uranium bonding to Q[6], but second-shell interactions through hydrogen bonding. The roles of transition metal chloride species have been discussed. The findings help to improve the fundamental understanding of Q[6] coordination chemistry with tetravalent actinide ions especially extending to uranium(IV) ions.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"587 ","pages":"Article 122838"},"PeriodicalIF":2.7,"publicationDate":"2025-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144657209","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 mononuclear hydrazone-based aluminum complex as a catalyst for solvent-free CO2 cycloaddition reaction","authors":"Mahsa Seraji ,&nbsp;Seyed Abolfazl Hosseini-Yazdi ,&nbsp;Michal Dušek ,&nbsp;Morgane Poupon ,&nbsp;Cinthia Antunes Corrêa","doi":"10.1016/j.ica.2025.122839","DOIUrl":"10.1016/j.ica.2025.122839","url":null,"abstract":"<div><div>Recently, due to increasing concerns over carbon dioxide emissions and their impact on the environment, the study and conversion of it into valuable products have been of great interest. In general, aluminum-based complexes can be a good choice for CO₂ cycloaddition reactions due to their strong Lewis acidity. Hence, a mononuclear aluminum complex [Al(HL′)(H₂O)₃](H₂O)₂Cl containing hydrazonic based ligand (sodium 4-hydroxy-3-{[2-(pyridine-4‑carbonyl)hydrazinylidene]methyl}benzene-1-sulfonate) was synthesized and identified by FT-IR, ¹H NMR, XRD and single-crystal X-ray crystallography. The ligand coordinated to aluminum in enolate-phenolate form through oxygen atoms of phenolate and enolate and nitrogen atoms of imine. Water molecules complete the distorted octahedral geometry around the metal center. The XRD pattern of the complex exhibited that it was stable up to around 120 °C. Therefore, the prepared compound was examined as a catalyst in the presence of quaternary ammonium (TBAB) as a co-catalyst for CO₂ cycloaddition reaction under solvent-free conditions to synthesize cyclic carbonates via CO₂ and epoxide. In this work, the reaction was performed under mild conditions. The conversion of around 80 % of epichlorohydrin was obtained using the catalyst and co-catalyst at 60 °C, 24 h, and 1 bar of CO₂. A reusability study demonstrated that a catalyst can be used in at least three cycles without any decrease in catalytic activity under mild conditions.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"588 ","pages":"Article 122839"},"PeriodicalIF":2.7,"publicationDate":"2025-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144687483","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":"An ultrasensitive electrochemical sensing platform for thiamethoxam detection using novel iron-organic framework anchored graphite rod electrode","authors":"Baban Dey ,&nbsp;Km Shivangee Kushwaha ,&nbsp;SK Safdar Hossain ,&nbsp;Syed Sadiq Ali ,&nbsp;Akbar Niaz ,&nbsp;Arup Choudhury","doi":"10.1016/j.ica.2025.122832","DOIUrl":"10.1016/j.ica.2025.122832","url":null,"abstract":"<div><div>Neonicotinoids are used more frequently in agricultural seed treatments, resulting in environmental pollution and food contamination. For this end, there is a need for the development of highly reliable and effective electroanalytical platforms in such a way that obtain affordable, low-cost, and highly sensitive sensors for the determination of neonicotinoid molecules. In this experiment, our investigation testifies and characterizes the novel free-standing electrochemical sensing platform for ultrasensitive detection of thiamethoxam using an iron metal organic framework (Fe-MOF) hybrid graphite rod. Wheat-seed-like Fe/BPDCA@GRP/MOF was developed via single-step facile solvothermal treatment. In Fe/BPDCA@GRP/MOF electrode provides a large exterior area, an enormous number of pores and an abundance of active sites, which enhance absorption mechanism of thiamethoxam (TMX). This wheat-seed-like MOF hybrid GRP electrode showed superior electrochemical sensing properties and excellent electrocatalytic activity against selected analytes. Different characterization techniques were used to characterize this composite that had been developed. As-proposed electrode exhibited a lined dynamic response (LDR) from 5 to 100 μM, with lower limit of detection (LOD) of 3.44 nM, and high electroactive surface area of 0.0054 cm². Our projected electrode has successfully applied for the determination of thiamethoxam in spiked orange juice samples with acceptable recovery results varied from 98.7 % to 103.2 %. Hence, the sensor electrode offers a straightforward, budget-friendly, eco-conscious, portable, and economical solution for thiamethoxam detection.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"587 ","pages":"Article 122832"},"PeriodicalIF":2.7,"publicationDate":"2025-07-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144657210","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":"Indolyl-3-spiro(N/N)cyclotriphosphazenes: syntheses, spectral, crystallographic and thermal analyses","authors":"Arzu Binici","doi":"10.1016/j.ica.2025.122836","DOIUrl":"10.1016/j.ica.2025.122836","url":null,"abstract":"<div><div>In this study, tetrakis(secondaryamino)-<em>N</em>¹-[(1<em>H</em>-indol-3-yl)methyl]-<em>N</em>²-methylspiro(N/N)cyclotri-phosphazenes were obtained and their syntheses, crystal structures, spectral and thermal properties were investigated. Primarily, <em>N</em>¹-[(1<em>H</em>-indol-3-yl)methyl]-<em>N</em>²-methyl-1,2-diaminoethane (<strong>L1</strong>) was synthesized from the reaction of indole-3-carboxaldehyde and <em>N</em>-methyl-1,2-diaminoethane in the equimolar ratio 1:1. Reactions of hexachlorocyclotriphosphazene (<strong>HCCP</strong>), N₃P₃Cl₆ (<strong>1</strong>), with equimolar amounts of <strong>L1</strong> gave tetrachloro-<em>N</em>¹-[(1<em>H</em>-indol-3-yl)methyl]-<em>N</em>²-methylspiro(N/N)cyclotriphosphazene (<strong>2</strong>). Tetrakis(secondaryamino)-<em>N</em>¹-[(1<em>H</em>-indol-3-yl)methyl]-<em>N</em>²-methylspiro(N/N)cyclotriphosphazenes (<strong>2a-2d</strong>) were prepared from the condensation reactions of spiro <strong>2</strong> with an excess of pyrrolidine, piperidine, morpholine and 1,4-dioxa-8-azaspiro[4,5]decane (DASD), respectively, The structures of the new products <strong>L1, 2</strong> and <strong>2a–2d</strong> were proven by microanalysis, HRMS, FTIR, HSQC, ¹H, ¹³C and ³¹P data. The molecular and crystal structures of <strong>2a</strong> and <strong>2d</strong> were evaluated by single crystal X-ray crystallography. The six-membered N₃P₃ rings of <strong>2a and 2d</strong> were in nearly planar and flattened boat conformations with total puckering amplitudes <em>Q</em>_<em>T</em> of 0.0419 (14) Å (<strong>2a</strong>) and 0.1192 (23) Å (<strong>2d</strong>). In addition, the thermal characterizations of the new phosphazenes are evaluated by <strong>TG</strong> and <strong>DTA</strong> techniques. The limited oxygen index (<strong>LOI</strong>) parameters of the compounds were determined from the TGA data to determine their oxidation resistance values. The values found are in the range of 28.4–31.6, indicating that these compounds are in the group of self-extinguishing materials.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"587 ","pages":"Article 122836"},"PeriodicalIF":2.7,"publicationDate":"2025-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144614687","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":"Silver and selenium compounds of benzimidazolium salts containing fluorine substituents: Synthesis, characterization, and evaluation of anticancer potentials","authors":"Gülşen Karakaş ,&nbsp;Sümeyya Serin ,&nbsp;Akın Mumcu ,&nbsp;Öznur Doğan Ulu ,&nbsp;Ahmet Ulu ,&nbsp;Ali Kuruçay ,&nbsp;Burhan Ateş ,&nbsp;Ali Erdoğan","doi":"10.1016/j.ica.2025.122833","DOIUrl":"10.1016/j.ica.2025.122833","url":null,"abstract":"<div><div>The applications of fluorine in the field of drug design are expanding at a rapid pace. The development of synthetic methodologies has enabled the creation of new fluorinated motifs. Benzimidazolium salts represent a significant source of N-heterocyclic carbenes (NHCs), a distinctive class of ligands. These salts have a wide range of applications due to their notable qualities. The present study encompasses the synthesis of four novel benzimidazolium salts (<strong>1a-d</strong>) substituted with 2,6-difluorobenzyl moiety. Subsequently, the prepared salts were utilized in the synthesis of silver complexes (<strong>2a-d</strong>) and selenium compounds (<strong>3a-d</strong>). The structures of all compounds were elucidated by ¹H, ¹³C, ¹⁹F NMR, HRMS, FT-IR spectroscopies, and elemental analysis techniques. The incorporation of a fluorine atom into the molecular structure of a compound has been known to induce substantial alterations in the biological responses of mentioned compound. Therefore, the cytotoxic effect of these compounds was also evaluated using the MTT assay on HCT116 and L929 cell lines. Acridine orange (AO)/ethidium bromide (EB) staining were used for the detection of apoptosis. Notably, cytotoxicity assays showed that compound <strong>3d</strong> displayed approximately 22-fold higher potency against HCT116 than cisplatin. Taken together, this enhanced efficacy signifies the promising role of silver and selenium compounds of benzimidazolium salts containing fluorine substituents in anticancer therapies.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"587 ","pages":"Article 122833"},"PeriodicalIF":2.7,"publicationDate":"2025-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144604852","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":"Heterometallic octahedral clusters [Re6-nOsnSe8Br6](4-n)– (n = 1, 2): systematic change of the oxidation potential by non-isovalent metal substitution","authors":"V.K. Gaifulina ,&nbsp;E.V. Chernyak ,&nbsp;A.A. Ulantikov ,&nbsp;Y.M. Gaifulin ,&nbsp;V.V. Yanshole ,&nbsp;M.R. Ryzhikov ,&nbsp;N.G. Naumov","doi":"10.1016/j.ica.2025.122835","DOIUrl":"10.1016/j.ica.2025.122835","url":null,"abstract":"<div><div>Compounds based on new heterometallic cluster anions [Re₅OsSe₈Br₆]³⁻ and [Re₄Os₂Se₈Br₆]²⁻ were synthesized and investigated. The study of the crystal structure of the Cs⁺ and Bu₄N⁺ salts of these anions showed structural similarity between bromide [Re_6-nOs_nSe₈Br₆], chloride [Re_6-nOs_nSe₈Cl₆] anions and homometallic cluster [Re₆Se₈Br₆]. Using quantum-chemical DFT calculations, it was shown that the geometry of the {Re₅Os}³⁺ and {Re₄Os₂}⁴⁺ metal centers is close to an undistorted octahedron. It has been also found that the non-isovalent substitution of rhenium atoms by osmium resulted in the stabilization of the cluster's highest occupied molecular orbitals (HOMOs) by about 0.7 eV <em>per Os</em> atom. This effect was confirmed experimentally by cyclic voltammetry: a strong anodic shift of the oxidation potential of the new anions with respect to the homometallic cluster [Re₆Se₈Br₆]⁴⁻ was demonstrated.</div></div>","PeriodicalId":13599,"journal":{"name":"Inorganica Chimica Acta","volume":"587 ","pages":"Article 122835"},"PeriodicalIF":2.7,"publicationDate":"2025-07-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144657207","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}