Polyhedron最新文献

{"title":"Flourishing bio-active Polyhydroquinolines via one-pot Hantzsch reaction using heterogeneous MCM-41 bound Ni (II) mixed-ligands complex","authors":"Narmatha Venkatesan,&nbsp;Sri Divya Selvakumar,&nbsp;Rajashri Varadarasu,&nbsp;Jayapratha Gunasekaran,&nbsp;Shanmuga Bharathi Kuppannan","doi":"10.1016/j.poly.2025.117889","DOIUrl":"10.1016/j.poly.2025.117889","url":null,"abstract":"<div><div>The examination of newly developed heterogeneous Mobil Composition of Matter No. 41 (MCM-41) bound thiophene Schiff base and 1,10 phenanthroline mixed-ligands based nickel (II) complex in a one-pot multicomponent syntheses of bioactive polyhydroquinolines using different types of aldehydes (viz. electron donating, electron withdrawing, fused, disubstituted, unsaturated, heterocyclic and aliphatic substituents), ethylacetoacetate, dimedone and ammonium acetate has been carried out in ethanol under ultrasonication at room temperature for an hour. The synthesized materials were confirmed by fourier transform infra-red spectroscopy (FT-IR), powder X-ray diffraction (PXRD), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), inductively coupled plasma-optical emission spectrometry (ICP-OES), thermogravimetric analysis (TGA) and N₂ adsorption–desorption isotherm (BET). Our synthesized catalyst exhibits a wide range of substrate tolerance irrespective of the nature of substrates, steric factors, substituents and their positions and gave yields upto 96 % in short reaction time with simple work up procedure. The catalytic products were recrystalized by hot ethanol and were confirmed by ¹H NMR and GC–MS spectral characterizations. Furthermore, the proposed system enhances the catalytic performance through its synergistic effect which effectively worked upto four consecutive cycles with maximum stability in the Hantzsch polyhydroquinoline reaction which was confirmed by the recyclability and leaching test.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"284 ","pages":"Article 117889"},"PeriodicalIF":2.6,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145577689","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":"Exploration of structural, magnetic, electrical polarization, optical and microwave absorption properties of rGO/hexaferrites composites","authors":"Mehboob Ali ,&nbsp;Saba Sharif ,&nbsp;Farhan Sadiq ,&nbsp;Humaira Aslam ,&nbsp;Zainab Altaf ,&nbsp;Sadaf Naz ,&nbsp;Imran Sadiq ,&nbsp;Eman.A. Alghamdi ,&nbsp;Muhammad Raheel ,&nbsp;Muhammad Shahbaz ,&nbsp;Saira Riaz ,&nbsp;Shahzad Naseem","doi":"10.1016/j.poly.2025.117914","DOIUrl":"10.1016/j.poly.2025.117914","url":null,"abstract":"<div><div>This study proposed the formation of rGO/Sr₂Fe₈O₁₄ nanocomposite for structural, magnetic, optical and microwave absorption applications. The reduced graphene oxide (rGO) and Strontium-based T-type hexaferrite (Sr₂Fe₈O₁₄) nanocomposites were prepared by ceramic method while the T-type hexaferrite was prepared by following the sol gel auto-combustion method. Respectively. The XRD analysis of all the samples confirmed the presence of both phases in the composites. The vibrating sample magnetometer (VSM) revealed that all the samples possessed a soft magnetic nature. The saturation and remanence magnetization increased while coercivity declined by enhancing T-type hexaferrite concentration in rGO. The polarization versus electric field hysteresis loops demonstrated the lossy behavior and this behavior increased with the addition of T-type hexagonal ferrites. To analyze the optical investigation, photo-luminance (PL) and UV–visible spectroscopies were employed. The PL outcomes revealed the ultraviolet and visible region emission. The UV–visible spectroscopy results showed the enhancement in absorbance of photo-energy with the addition of T-type content while optical band gap energy decreased. The pure T-type hexaferrites sample exhibited the maximum value of microwave absorption (−23.04) at 0.46 GHz frequency. These results divulge the importance of the present synthesized composites in photo-catalytic activities and microwave absorption properties.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"284 ","pages":"Article 117914"},"PeriodicalIF":2.6,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145690657","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":"To thread or not to thread: Reaction of uranyl (UO22+) with two Aza-crown macrocycles1","authors":"Gabriella S. Godinho,&nbsp;Kevin K. Lee,&nbsp;Qien Feng,&nbsp;Guang Wu,&nbsp;Justin J. Wilson,&nbsp;Trevor W. Hayton","doi":"10.1016/j.poly.2025.117935","DOIUrl":"10.1016/j.poly.2025.117935","url":null,"abstract":"<div><div>The complexation of the uranyl ion (UO₂²⁺) by macrocyclic ligands is hindered by the rigidly enforced <em>trans</em> orientation of its oxo ligands. To further investigate this coordination chemistry challenge, here we investigate the reactivity of UO₂²⁺ with two different 18-membered aza-crown macrocycles, diaza-dibenzo-18-crown-6 (<strong>DADBC</strong>) and 7,16-bis(<em>N</em>-methylacetamide)diaza-18-crown-6 (<strong>BAM</strong>). The reaction of uranyl triflate, [UO₂(OTf)₂(THF)₃], with <strong>DADBC</strong> in toluene afforded [UO₂(<strong>DADBC</strong>)][OTf]₂, in which the UO₂²⁺ ion is fully encapsulated by the macrocycle. This conclusion was supported by NMR, UV–Vis, IR, and Raman spectroscopies, as well as single-crystal X-ray crystallography. Attempts to form the in-macrocycle complex of <strong>BAM</strong>, however, were unsuccessful. The reaction of <strong>BAM</strong> with [UO₂(OTf)₂(THF)₃] in THF/CH₂Cl₂ unexpectedly afforded crystals of [H₂<strong>BAM</strong>][OTf]₂, where the protons are derived from solvate water in the <strong>BAM</strong> crystal lattice. In contrast, reaction of <strong>BAM</strong> with UO₂(NO₃)₂·6H₂O resulted in formation of the coordination polymer, [UO₂(κ²-NO₃)₂(μ-<strong>BAM</strong>)]_∞. The crystal structure of this compound revealed that the <strong>BAM</strong> ligand is coordinated to UO₂²⁺ via its pendent carboxamide donors, while the donor atoms within the macrocyclic cavity remained unbound. The X-ray crystal structure of the free <strong>BAM</strong> ligand was also obtained, which showed that it exists in an identical conformation to that seen in the structure of [UO₂(κ²-NO₃)₂(μ-<strong>BAM</strong>)]_∞, where the pendent carboxamide donors are engaged in an intramolecular hydrogen-bonding interaction with the donor atoms within the macrocycle. These results suggest that the enthalpic penalty of breaking these intramolecular hydrogen bonds prevents UO₂²⁺ from “threading the needle.” In contrast, <strong>DADBC</strong>, which lacks such intramolecular hydrogen-bonding interactions, can readily accommodate UO₂²⁺. This comparison demonstrates how subtle modifications to the macrocycle, such as cavity size, rigidity, and pendant donor groups, can affect its affinity for UO₂²⁺, and provide insights into macrocycle chelator design for this ion for applications in separations, medicine, and energy.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"285 ","pages":"Article 117935"},"PeriodicalIF":2.6,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145798005","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":"Efficient photocatalytic degradation of rhodamine B by amorphous MOF-coated hydrogenated titanium dioxide core-shell photocatalyst coupled with peroxymonosulfate activation","authors":"Tiantian Luo ,&nbsp;Junyi Wang ,&nbsp;Ruiyan Wang ,&nbsp;Jiale Wang ,&nbsp;Hao Yan ,&nbsp;Bei Zhang ,&nbsp;Qi Zhou","doi":"10.1016/j.poly.2025.117919","DOIUrl":"10.1016/j.poly.2025.117919","url":null,"abstract":"<div><div>In this study, a one-dimensional core–shell photocatalyst composed of hydrogenated TiO₂ (H-TiO₂) coated with an amorphous metal–organic framework (MOF) was synthesized via a simple hydrothermal method and applied as an efficient peroxymonosulfate (PMS) activator for Rhodamine B (RhB) degradation. Under simulated sunlight irradiation for 20 min, the optimized H-TiO₂/BPDC*2 catalyst achieved 99.40 % RhB removal at an initial concentration of 100 mg/L. Its apparent kinetic rate constant was 4.28 and 1.06 times higher than those of H-TiO₂ and H-TiO₂/BPDC, respectively. The enhanced performance is attributed to the core–shell heterojunction structure, which improves light absorption and charge separation, as evidenced by increased photocurrent, reduced photoluminescence intensity, and shorter time-resolved photoluminescence (TRPL) decay. Furthermore, the catalyst exhibited excellent stability over multiple cycles, demonstrating strong potential for practical wastewater treatment applications. Mechanistic studies revealed that ·O₂^- and ¹O₂ were the dominant reactive species involved in the degradation process.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"285 ","pages":"Article 117919"},"PeriodicalIF":2.6,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145748526","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":"Synergistic non-covalent interactions for enhanced thermal stability in high-performance energetic materials: Bis(2,4-dinitro-1H-imidazolyl)ethane","authors":"Jun Yuan ,&nbsp;Yong Wang ,&nbsp;Lizhen Chen ,&nbsp;Jianlong Wang","doi":"10.1016/j.poly.2025.117895","DOIUrl":"10.1016/j.poly.2025.117895","url":null,"abstract":"<div><div>Bis(2,4-dinitro-1H-imidazol-1-yl)ethane (BDNIE) was synthesized in a single step from dibromoethane and 2,4-dinitroimidazole. The compound was fully characterized by X-ray single-crystal diffraction, nuclear magnetic resonance (NMR) spectroscopy, Fourier transform infrared (FT-IR) spectroscopy, high-resolution mass spectrometry (HRMS), elemental analysis, and thermogravimetry-differential scanning calorimetry (TG-DSC). Theoretical detonation pressure (P) and velocity (v_D) were calculated using Gaussian 09 and the K-J equation. Crystal structure analysis, combined with non-covalent interaction (NCI), energy framework, and Hirshfeld surface analyses, revealed an extensive network of hydrogen bonds and <em>π</em>-<em>π</em> interactions within the BDNIE crystal. These interactions contribute to its favorable density (1.77 g cm⁻³), excellent thermal stability (T_d = 323.98 °C), acceptable detonation performance (v_D = 7816 m s⁻¹, <em>P</em> = 26.7 GPa), and low mechanical sensitivity (IS = 35 J, FS = 360 N). These advantages highlight the potential of BDNIE as an insensitive heat-resistant explosive.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"284 ","pages":"Article 117895"},"PeriodicalIF":2.6,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145577695","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":"Aromatic and Antiaromatic switching in 1H-Borole and 1H-Borirene: Insights from ground and triplet states","authors":"Tara Karampour ,&nbsp;Morteza Rouhani ,&nbsp;Marjan Jebeli Javan","doi":"10.1016/j.poly.2025.117896","DOIUrl":"10.1016/j.poly.2025.117896","url":null,"abstract":"<div><div>Aromaticity in boron-containing heterocycles exhibits notable sensitivity to electronic excitation. In this study, we present a comprehensive analysis of the aromatic and antiaromatic behavior of 1<em>H</em>-borole and 1<em>H</em>-borirene in both their ground singlet (<em>S₀</em>) and first excited triplet (<em>T₁</em>) states using structural, magnetic, and energetic criteria. Bond length alternation (ΔBL), harmonic oscillator model of aromaticity (HOMA), nucleus-independent chemical shifts (NICS), localized orbital locator (LOL-π) maps, and isomerization stabilization energy (ISE) were all employed to assess the π-electron delocalization in these systems. The results consistently indicate an inversion of aromatic character upon excitation: 1<em>H</em>-borole transitions from antiaromatic to aromatic, while 1<em>H</em>-borirene behaves oppositely. These insights expand our understanding of excited-state aromaticity in electron-deficient heterocycles and underscore the utility of a multi-criteria approach to aromaticity evaluation.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"284 ","pages":"Article 117896"},"PeriodicalIF":2.6,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145577698","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":"Antioxidant, anti-acetylcholinesterase, antimicrobial, and anticancer activities of Morin–Cu(II) hybrid Nanoflowers","authors":"Metin Yıldırım ,&nbsp;Burcu Somtürk Yilmaz ,&nbsp;Mehmet Çimentepe ,&nbsp;Adem Necip ,&nbsp;Özden Dellal","doi":"10.1016/j.poly.2025.117917","DOIUrl":"10.1016/j.poly.2025.117917","url":null,"abstract":"<div><div>In recent years, various nanostructures, including nanoflowers, have attracted attention due to their effective biomedical properties. In this study, M@hNFs were synthesized using morin as the organic component and Cu²⁺ ions as the inorganic component. The prepared nanoflowers were characterized by SEM, EDX, FTIR, and XRD analyses, and their biological activities were subsequently investigated, including anticancer effects against MCF-7 breast cancer cells, acetylcholinesterase (AChE) inhibitory activity, antioxidant capacity, antibacterial activity against <em>Staphylococcus aureus</em>, <em>Enterococcus faecalis</em> (<em>E. faecalis</em>), <em>Pseudomonas aeruginosa</em>, <em>Escherichia coli</em>, methicillin-resistant <em>Staphylococcus aureus</em> (MRSA), and multidrug-resistant <em>Escherichia coli</em> (MDR <em>E. coli</em>) using the broth microdilution method, as well as antibiofilm activity against MRSA and MDR <em>E. coli</em>. SEM analysis revealed that the synthesized M@hNFs exhibited a diameter of 24.69 μm. Antioxidant assays demonstrated IC₅₀ values of 131.3 μg/mL (DPPH) and 51.3 μg/mL (ABTS). The AChE inhibitory activity was confirmed with an IC₅₀ value of 72.2 ± 2.1 μg/mL. Furthermore, M@hNFs reduced the viability of MCF-7 cells to 56 % at 500 μg/mL. In antibacterial assays, the synthesized hNFs exhibited stronger activity compared with morin alone, showing the most potent effect against <em>E. faecalis</em> with a MIC value of 32 μg/mL. Importantly, the hNFs also demonstrated activity against resistant strains, inhibiting MRSA and MDR <em>E. coli</em> at 256 μg/mL. At 1024 μg/mL, M@Cu-hNFs inhibited biofilm formation by MRSA and MDR <em>E. coli</em> by 69.7 % and 66.3 %, respectively. Taken together, these findings indicate that the prepared M@hNFs possess multiple biomedical properties and hold significant potential for further studies and future biomedical applications.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"285 ","pages":"Article 117917"},"PeriodicalIF":2.6,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145693468","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 Keplerate type polyoxometalate-based ionic liquids as heterogeneous hybrid catalysts for efficient oxidation desulfurization using hydrogen peroxide under mild reaction conditions","authors":"Mostafa Riahi Farsani","doi":"10.1016/j.poly.2025.117913","DOIUrl":"10.1016/j.poly.2025.117913","url":null,"abstract":"<div><div>A novel heterogeneous catalyst based on a Keplerate-type polyoxometalate and ionic liquid, W₇₂Fe₃₀-IL, was synthesized via anion exchange between the giant {W₇₂Fe₃₀} cluster and [3-aminoethyl-1-methylimidazolium]Br. The structure of this catalyst was confirmed by FT-IR, Raman, XRD, CHNS, XRF, ICP and thermogravimetric analyses. The resulting hybrid exhibited excellent catalytic performance in the oxidative desulfurization (ODS) of model sulfur-containing compounds, including dibenzothiophene (DBT), benzothiophene (BT), and 4,6-dimethyldibenzothiophene (4,6-DMDBT), using hydrogen peroxide as a green oxidant under mild conditions. Various reaction parameters—oxidant-to-substrate ratio, catalyst loading, temperature, acid promoter, and substrate type—were systematically studied. W₇₂Fe₃₀-IL achieved 99.5 % sulfur removal from DBT at 40 °C within 90 min with an optimal H₂O₂/DBT molar ratio of 4:1. The catalytic activity followed the order DBT &gt; 4,6-DMDBT &gt; BT, correlating with electronic density and steric hindrance around the sulfur atom. Moreover, the catalyst showed excellent reusability over five cycles with minimal activity loss. High structural stability was confirmed by XRD and FTIR, with the hot filtration test and ICP analyse indicating no leaching. This study highlights the potential of Keplerate-type POM-ILs as efficient, recyclable, and environmentally friendly catalysts for deep fuel desulfurization, offering a promising alternative to conventional hydrodesulfurization, which operates under harsher conditions.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"285 ","pages":"Article 117913"},"PeriodicalIF":2.6,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145693470","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":"Nitromethane gas absorption in interlocked icosahedral M12L8 nanocages","authors":"Stefano Elli,&nbsp;Antonino Famulari,&nbsp;Javier Martí-Rujas","doi":"10.1016/j.poly.2025.117908","DOIUrl":"10.1016/j.poly.2025.117908","url":null,"abstract":"<div><div>The self-assembly of tris-pyridyl-benzene ligand with ZnI₂ in the presence of benzaldehyde yields a poly-[n]-catenane formed of large M₁₂L₈ metal organic cages (MOCs) which is used to study guest exchange of small non-aromatic molecules like nitromethane. X-ray crystallographic analysis revealed that guest exchange reaction takes place via gas-solid single-crystal-to-single-crystal (SCSC) process. The single crystal X-ray diffraction (SC-XRD) data allowed to determine the ordered guest content within the M₁₂L₈ nanocages. Density Functional Theory (DFT) calculations specific for solid state crystalline systems have been carried out to estimate the energy interactions among host and guest molecules (<em>E</em>_host-guest) and to compute the maps of electrostatic potential (MEPs) for each guest. The outcomes of the DFT results helped to rationalize the guest exchange reaction considering both ordered and disordered molecules in the system were the <em>E</em>_host-guest differs only in ∼4 kcal/mol. The role of the interlocking among M₁₂L₈ cages in the host dynamic behavior and the overall catenane structural stability is emphasised. The observed nitromethane guest uptake is important in the field of gas-solid molecular inclusion for instance in applications for the absorption of gases like CO₂, CH₄, SO₂ or NOx compounds.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"284 ","pages":"Article 117908"},"PeriodicalIF":2.6,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145621351","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 novel heteroligand nitrilotriacetate oxidovanadium(IV) complex salt with 2-amino-3-hydroxypyridine as a zwitterionic ligand and counterion: Structural characterisation, antioxidant activity and cytoprotective potential","authors":"A. Tesmar ,&nbsp;A. Sikorski ,&nbsp;P. Niedziałkowski ,&nbsp;B. Matusiewicz ,&nbsp;I. Inkielewicz-Stępniak ,&nbsp;D. Wyrzykowski","doi":"10.1016/j.poly.2025.117899","DOIUrl":"10.1016/j.poly.2025.117899","url":null,"abstract":"<div><div>The nature of the counterions is a key factor in designing nitrilotriacetate (nta) oxidovanadium(IV) salts. Selecting the appropriate counterion affects the formation of complexes with either mono- or hetero-ligands in the coordination sphere, as well as mono- or heteronuclear entities. N-heterocyclic compounds can serve dual roles: they can act as counterions and simultaneously chelate the vanadium(IV) cation, or they can function solely as counterions without directly coordinating with the metal centre. Consequently, it enables the design of new coordination compounds with desirable physicochemical and biological properties. In this article, we present the crystal structure of a novel heteroligand nitrilotriacetate (nta) oxidovanadium(IV) complex salt of a general formula, [(2-NH₂–3-OH)pyH)][VO(nta)(2-NH₂–3-O-pyH)]∙H₂O, where 2-amino-3-hydroxypyridine acts as both a zwitterionic ligand (2-NH₂–3-O-pyH)^± and a counterion [(2-NH₂–3-OH)pyH]⁺. The physicochemical properties of the newly synthesized complex salt were thoroughly investigated and analyzed, including its ABTS^•+ radical scavenging activity and reactivity towards hydrogen peroxide (H₂O₂). These studies aimed to explore potential structural features of the oxidovanadium(IV) species that may influence their antioxidant activity. Finally, the potential of 2-amino-3-hydroxypyridine and [(2-NH₂–3-OH)pyH)][VO(nta)(2-NH₂–3-O-pyH)]∙H₂O as cytoprotective agents against oxidative damage induced by H₂O₂ was assessed using the HT22 hippocampal neuronal cell line.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"284 ","pages":"Article 117899"},"PeriodicalIF":2.6,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145621348","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}