Polyhedron最新文献

{"title":"Cyclometalated iridium(III)–robustine coordination compounds as highly potent anticancer agents","authors":"Qiu-Ming Li ,&nbsp;Xiao-Qiong Huang ,&nbsp;Qing Su ,&nbsp;Ju-Mei Zhang,&nbsp;Li-Qin Qin,&nbsp;Ming-Xiong Tan,&nbsp;Qi-Pin Qin","doi":"10.1016/j.poly.2025.117619","DOIUrl":"10.1016/j.poly.2025.117619","url":null,"abstract":"<div><div>Cisplatin (CPDC) is a platinum coordination complex and a highly potent anticancer agent, but its toxic side effects has led researchers to search for alternative complexes using non-platinum metals. We designed, synthesized, and fully characterized four cyclometalated iridium(III) coordination compounds that were coordinated with two cyclometalated 2-phenylpyridine (H-PPY1) or 3-methyl-2-phenylpyridine (H-PPY2) ligands and two primary ligands functionalized with robustine (H-Rob1) or 8-hydroxyquinoline (H-Rob2): [Ir(Rob1)(PPY1)₂]·CH₃OH (<strong>Ro1</strong>), [Ir(Rob1)(PPY2)₂]·CH₃OH (<strong>Ro2</strong>), [Ir(Rob2)(PPY1)₂] (<strong>Ro3</strong>), and [Ir(Rob2)(PPY2)₂] (<strong>Ro4</strong>). A Cell Counting Kit-8 (CCK8) assay was performed to evaluate their antiproliferative capacity against CPDC-resistant ovarian SK-OV-3/DDP (crSK3) and ovarian SK-OV-3 (SK3) cancer cells as well as liver HL-7702 normal human cells. The H-Rob1 modified complexes <strong>Ro1</strong> and <strong>Ro2</strong> were not cytotoxic against HL-7702 cells but were more cytotoxic against crSK3 cancer cells than <strong>Ro3</strong>, CPDC, and <strong>Ro4</strong>. <strong>Ro2</strong> and <strong>Ro4</strong> reduced the mitochondrial respiration complexes I and IV (Rm1, Rm4) as well as energy generation, and they ultimately induced mitophagy apoptosis. This suggests that <strong>Ro2</strong> and <strong>Ro4</strong> have potential as highly potent anticancer agents for specific mitochondria-targeting drugs able to kill crSK3 cells. In particular, <strong>Ro2</strong> greatly inhibited the growth of a SK3-tumor model (ca. 60.4%) in vivo.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"279 ","pages":"Article 117619"},"PeriodicalIF":2.4,"publicationDate":"2025-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144243333","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":"Hollow Tubes of Calotropis Procera Fiber-Supported BF3 Composite: An Efficient Catalyst and Nano-reactor in N-Formylation","authors":"Yasaman Salamat,&nbsp;Hosein Hamadi","doi":"10.1016/j.poly.2025.117616","DOIUrl":"10.1016/j.poly.2025.117616","url":null,"abstract":"<div><div>The cellulosic hollow tube fiber fabricated from Calotropis procera supported BF₃ Lewis acid (BF₃@CPF) was prepared and investigated as nano- reactor and efficient catalyst for the N-formylation of amines. The morphology and physicochemical properties of the composite were characterized by FT-IR, X-ray diffraction, EDX, FE-SEM, and TGA analysis. The composite demonstrated high performance in N-formylation reaction with short time, high yield, and high selectivity. The catalyst showed high reusability, and the catalytic activity was retained constant over six consecutive cycles. The selectivity of the reaction was investigated. The results showed selectivity for secondary amines is higher than for primary amines. Additionally, aromatic amines have lower selectivity than aliphatic amines. FT-IR, ¹³CNMR, and ¹HNMR were used to confirm the chemical structure of the products.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"279 ","pages":"Article 117616"},"PeriodicalIF":2.4,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144365883","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":"Structural characterization, cytotoxic and enzyme inhibitory profile of a novel triazole-linked ferrocene hybrid of 18β-glycyrrhetinic acid","authors":"Zehra Öztürk ,&nbsp;Yaren Yıldız ,&nbsp;Nurgül Abul ,&nbsp;Onur Ertik ,&nbsp;Ferda Arı ,&nbsp;İlhami Gülçin ,&nbsp;Ömer Koz ,&nbsp;Gamze Koz","doi":"10.1016/j.poly.2025.117620","DOIUrl":"10.1016/j.poly.2025.117620","url":null,"abstract":"<div><div>18<em>β</em>-Glycyrrhetinic acid (GA) is a pentacyclic triterpene which was obtained from the roots of <em>Glycyrrhiza glabra</em> known for its diverse pharmaceutical applications. The primary aim of this study is to enhance the pharmaceutical properties of GA by modifying it with a 1,2,3-triazole-functionalized ferrocene moiety. The hybrid compound <strong>3</strong> was synthesized by amide functionalization of GA at the C-30 position with ferrocene, linked via a 1,4-disubstituted 1,2,3-triazole bridge. Additionally, the C-3 hydroxyl group of GA was converted into an acetyl ester. The hybrid compound <strong>3</strong> was characterized using FT-IR, NMR (¹H and ¹³C) and HR-MS. The aim of the modification was to enhance the cytotoxic and enzyme inhibitory effects of GA. 1,2,3,-Triazole substituted ferrocene (<strong>1</strong>), C-3 acetylated GA and the hybrid compound <strong>3</strong> were tested on A549, MCF-7, HCT-116, and PC-3 cancer cell lines. MCF-7 and HCT-116 cells showed the highest sensitivity to the compounds. Compound <strong>3</strong> showed more cytotoxicity than both GA and compound <strong>1</strong> with IC₅₀ values of 23.97 and 50 µM in MCF-7 and HCT-116 cells, respectively. Morphological analysis indicated that compound <strong>3</strong> induced apoptotic cell death. In addition, the inhibitory effect of compounds on carbonic anhydrase I-II isoenzymes (hCAI-II), acetylcholinesterase/butyrylcholinesterase (AChE/BChE) enzymes, and α-glucosidase was tested. According to the results, compound <strong>3</strong>, exhibited the strongest inhibitory properties for all enzymes tested with IC₅₀ values of 0.0323, 0.3058, 0.0078, 0.0090 and 0.0120 µM, respectively. Molecular docking studies were performed to investigate the ligand-target protein interactions. Incorporating an organometallic sandwich-like compound ferrocene into GA via a 1,2,3-triazole bridge appears to be an effective strategy for modifying and enhancing its bioactivity.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"279 ","pages":"Article 117620"},"PeriodicalIF":2.4,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144223604","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":"Computational study of the optoelectronic and photovoltaic properties of arene-functionalized chromium complexes as sensitizers for enhancing DSSC performance","authors":"Said Kerraj ,&nbsp;Mohamed Moussaoui ,&nbsp;Younes Rachdi ,&nbsp;Ahmed Arif ,&nbsp;Mohamed Kadour Atouailaa ,&nbsp;Khadijah M. Al-Zaydi ,&nbsp;Abdelkhalk Aboulouard ,&nbsp;Mohammed Salah ,&nbsp;Said Belaaouad ,&nbsp;Mohammed El idrissi","doi":"10.1016/j.poly.2025.117618","DOIUrl":"10.1016/j.poly.2025.117618","url":null,"abstract":"<div><div>This study explores how changes to the arene ligands in the half-sandwich chromium complex (η⁶-C₆H₅X)Cr(CO)₃ influence its performance. A theoretical study was conducted on a series of modified chromium half-sandwich complexes to evaluate their potential as sensitizers in Dye-Sensitized Solar Cells (DSSCs), utilizing density functional theory (DFT) and time-dependent (TD-DFT). The research examined seven arene derivatives, evaluating the photoelectrical properties of the corresponding complexes. Calculations were performed at the B3LYP/6-31G/SDD level to determine the ground and excited state properties of the isolated dyes. Essential parameters, such as light harvesting efficiency (LHE), electron injection driving force (ΔG_inj), regeneration driving force (ΔG_reg), open-circuit voltage (V_OC), and maximum absorption wavelength (λ_max), were carefully analyzed. The findings suggest that the D_A, D_B, D_D, D_F, and D_G complexes have strong potential as sensitizers in DSSCs. This study highlights the valuable role of theoretical methods in predicting and guiding the design of new dyes for solar cell applications.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"279 ","pages":"Article 117618"},"PeriodicalIF":2.4,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144223605","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":"Cytotoxicity of copper(II) complexes based on pyridyl- and quinolyl-containing dialkylphosphine oxides","authors":"K.R. Enikeeva,&nbsp;I.A. Litvinov,&nbsp;O.N. Kataeva,&nbsp;A.P. Lyubina,&nbsp;A.D. Voloshina,&nbsp;E.I. Musina,&nbsp;A.A. Karasik","doi":"10.1016/j.poly.2025.117617","DOIUrl":"10.1016/j.poly.2025.117617","url":null,"abstract":"<div><div>Mononuclear copper(II) complexes were synthesized using diethyl- and diisopropyl(pyridine-2-ylmethyl)phosphine oxides, as well as diethyl- and diisopropyl(quinoline-2-ylmethyl)phosphine oxides, functioning as N,O-bidentate chelating ligands when coordinated with CuCl₂ and Cu(BF₄)₂·xH₂O. The resulting compounds were characterized using mass spectrometry, IR spectroscopy, elemental analysis, single crystal and powder X-ray diffraction techniques. The cytotoxic properties of the synthesized complexes were evaluated, revealing that the copper(II) complex derived from quinoline-containing phosphine oxide demonstrated significant cytotoxicity against M-HeLa and HuTu80 cancer cell lines, along with high selectivity indices. The cytotoxic activity of Ni(II), Mn(II) and Cu(II) complexes based on the pyridyl- and quinolyl-bearing dialkylphosphine oxides has been summarized.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"279 ","pages":"Article 117617"},"PeriodicalIF":2.4,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144253617","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 characterisation, luminescence properties and DFT calculations of a new 2D polymeric network of cadmium (II)","authors":"Amani Hind Benahsene ,&nbsp;Lamia Bendjeddou ,&nbsp;Volker Kahlenberg ,&nbsp;Bachir Zouchoune ,&nbsp;Mauro Carcelli ,&nbsp;Cristiano Viappiani ,&nbsp;Raounek Rouag ,&nbsp;Fatiha Guenifa ,&nbsp;Rokaya Henchiri","doi":"10.1016/j.poly.2025.117606","DOIUrl":"10.1016/j.poly.2025.117606","url":null,"abstract":"<div><div>The first cadmium coordination polymer (Cd–CP) of dapsone [Cd(DDS)₂(NO₃)₂(H₂O)]_n was successfully synthesised by reacting Cd(NO₃)₂-4H₂O with 4,4′-diaminodiphenylsulfone (DDS) using two different synthesis methods, slow evaporation and mechanochemical synthesis. The structure of Cd–CP was characterised by single crystal X-ray diffraction, infrared spectroscopy (IR), thermogravimetric and EDAX analysis. Cd–CP exhibits a diperiodic layered structure with interlayer hydrogen bonding and π---π interactions. In this work, the luminescence properties of 4,4′-diaminodiphenylsulphone and cadmium (II) coordination polymer are investigated in both solution and solid state. The results showed that in the solid state, the compound emits strong red light due to the ligand-to-ligand charge transfer (LLCT) mechanism (from the HOMO of the sulphur atoms to the LUMO + 1 of the DDS), which was probed by molecular orbital (MO) calculations. The ligand-to-metal charge transfer (LMCT) is due to the involvement of 5s orbital of Cd^II.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"279 ","pages":"Article 117606"},"PeriodicalIF":2.4,"publicationDate":"2025-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144223603","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, crystal structures and cytotoxic activity of new Cu(II) complexes based on podands with terminal 8-oxyquinolyl groups","authors":"Tamara A. Bazhenova ,&nbsp;Gennadiy V. Shilov ,&nbsp;Denis V. Korchagin ,&nbsp;Galina S. Tsebrikova ,&nbsp;Yulia R. Aleksandrova ,&nbsp;Dmitry V. Baulin ,&nbsp;Natalya S. Nikolaeva ,&nbsp;Mariya A. Lapshina ,&nbsp;Margarita E. Neganova ,&nbsp;Vladimir E. Baulin","doi":"10.1016/j.poly.2025.117607","DOIUrl":"10.1016/j.poly.2025.117607","url":null,"abstract":"<div><div>In this study, we present the synthesis of four novel Cu(II) complexes based on podands with terminal 8-oxyquinolyl groups and evaluation of their potential anticancer activity. The syntheses of ligands were achieved by a unified procedure in which 1,5-bis(8-oxyquinolyl)-3-oxapentane (L¹), 2,6-bis((8-oxyquinolyl)methyl)pyridine (L²), 1,8-bis(8-oxyquinolyl)-3,6-dioxaoctane (L³) were prepared by a one-step reaction of 2 equiv. of 8-hydroxyquinoline sodium salt with diethylene glycol ditosyl, 2,6-bis(tosylatemethyl)pyridine and triethylene glycol ditosyl, respectively, in good yields. The synthesis of copper(II) complexes [Cu₂L¹Br₂(<em>µ</em>-OCH₃)₂] (<strong>1</strong>), [Cu₂L¹Br₂(<em>µ</em>-OH)(<em>µ</em>-Br)] (<strong>2</strong>), [Cu₂L¹Br₂(<em>µ</em>-Br)₂]·CH₃CN (<strong>3</strong>), and [CuL²Br]Br (<strong>4</strong>) was performed through the reaction of CuBr₂ with L¹ and L² ligands under mild conditions. Single crystal X-ray diffraction analysis revealed that complexes <strong>1–3</strong> possessed binuclear structures, while complex <strong>4</strong> exhibited a mononuclear configuration. The <em>in vitro</em> anticancer activities of the four complexes were evaluated against four different cancer cell lines. The complexes exhibited higher activity compared to their respective free ligands, inducing cell growth inhibition and apoptosis in a concentration-dependent manner. Compounds <strong>3</strong> and <strong>4</strong> exhibited the most pronounced cytotoxic effect against the A549 cell line, with IC₅₀ values of 21.43 ± 0.20 and 30.67 ± 2.23 μM, respectively. It is also noteworthy that lower IC₅₀ values were observed for all compounds against Hek-293 cells of normal origin. A selectivity index of 2 was calculated for compound <strong>3</strong>. According to study of the effect on apoptosis, compounds <strong>1</strong> and <strong>4</strong> at the selected concentration after 24 h significantly increased the percentage of the apoptotic population. Confocal microscopy revealed that all the synthesized complexes penetrate into the cells and localize in the perinuclear space. It is suggested that aberrant glycolysis is one of the primary targets of the action of Cu(II) complexes <strong>1</strong>–<strong>4</strong>, and the detected cytotoxic activity appears to be related to the ability of <strong>1</strong>–<strong>4</strong> to alter the pathological mechanism of tumor cell metabolism.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"278 ","pages":"Article 117607"},"PeriodicalIF":2.4,"publicationDate":"2025-05-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144154560","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":"Templated borates derived copper-based oxygen reduction reaction catalysts for zinc-air batteries","authors":"Xiang-Yu Huang,&nbsp;Chun-Yang Pan","doi":"10.1016/j.poly.2025.117608","DOIUrl":"10.1016/j.poly.2025.117608","url":null,"abstract":"<div><div>Two Cu-based templated borates, [Cu(o-phen)₂OAc]·[B₅O₆(OH)₄]·C₅H₅N (OAc⁻ = CH₃COO^–) (<strong>1</strong>) and [Cu(o-phen)₂Cl]·[B₅O₆(OH)₄]·H₂O (<strong>2</strong>), were synthesized with the o-phenanthroline (o-phen) ligand, and their structures were characterized by single crystal X-ray diffraction, PXRD, and FT-IR. The structural differences between the two compounds result from the distinct interactions between the complex template and the oxoboron cluster through hydrogen bonds (H-Bs). Templated borates were pyrolyzed to obtain high performance oxygen reduction reaction (ORR) catalysts. <strong>1-</strong>based catalyst showed better ORR activity and was used as cathode catalyst in zinc-air batteries (ZABs). Under high-temperature conditions, the metal complexes decompose into metal nanoparticles anchored on the <em>N</em>-doped carbon layer, which provides the primary active site for ORR catalysis. This research provides an innovative approach for the synthesis of high-performance ORR catalysts.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"278 ","pages":"Article 117608"},"PeriodicalIF":2.4,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144177538","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":"Valonia aegagropila-shaped manganese oxide with hybrid Battery-Supercapacitor behavior for lithium-ion storage","authors":"Han-Yu Zou ,&nbsp;Huan Yang ,&nbsp;Zhen-Dong Wei ,&nbsp;Qiao-Ming Liang ,&nbsp;Jing-Wen Sun ,&nbsp;Meng-Ting Li","doi":"10.1016/j.poly.2025.117605","DOIUrl":"10.1016/j.poly.2025.117605","url":null,"abstract":"<div><div>Manganese-based oxides exhibit diverse applications and demonstrate exceptional performance in the field of electrochemical energy storage and conversion. However, the utilization of transition metal oxides as anode electrode materials in lithium-ion batteries faces several challenges, including inadequate cycling stability and poor conductivity. To address these issues, a unique nanostructured single-metal oxide, specifically manganese oxide with valonia aegagropila-shaped morphology, was achieved using a uniform thermal decomposition approach. The valonia aegagropila-shaped Mn₂O₃ anode material exhibits remarkable discharge specific capacity at low current densities, with an initial discharge specific capacity reaching up to 1280 mA h g⁻¹ and maintaining a consistent specific capacity of approximately 830 mA h g⁻¹. During this process, reversible oxidation–reduction reactions of Mn³⁺ ions occur, thereby enhancing the stability of Mn₂O₃ anode. Moreover, the valonia aegagropila-shaped Mn₂O₃ anode exhibits a hybrid behavior of battery and supercapacitor according to the electrochemical kinetic analyses. This might open new avenues for the design of manganese-based oxides with various morphologies anode materials to achieve high-performance energy storage.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"278 ","pages":"Article 117605"},"PeriodicalIF":2.4,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144117089","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":"Enhancement of degradation of herbicide atrazine through efficient manganese-porphyrins: Mechanistic insights, degradation products, and toxicity assessment","authors":"Iasmin T. Resende ,&nbsp;Larissa P. Bento ,&nbsp;Elaine M. Souza-Fagundes ,&nbsp;Eduardo S. Neves ,&nbsp;Dayse C.S. Martins","doi":"10.1016/j.poly.2025.117588","DOIUrl":"10.1016/j.poly.2025.117588","url":null,"abstract":"<div><div>The herbicide atrazine (ATZ) is widely used in weed control, especially in Brazil. Its persistence and toxicity raise environmental and health concerns and may cause several problems. In this context, manganese porphyrins emerge as promising catalysts for ATZ degradation, mimicking the action of cytochrome P450. This study evaluated the catalytic potential of five manganese porphyrins in the degradation of ATZ under mild conditions. Different oxidants were tested, including Oxone®, H₂O₂, iodosylbenzene, and iodobenzene diacetate. The effect of axial ligands as cocatalysts was also investigated. The best results were obtained for third-generation porphyrins and the iodoarenes oxidants, achieving up to 85% of ATZ degradation, the best result for Mn-porphyrins so far. Axial ligands did not bring improvements to the catalytic systems while assessments with radical inhibitors indicated the participation of reactive species, such as Mn^V-oxo, ·OH, and ¹O₂. Mass spectrometry analysis confirmed the formation of the main ATZ metabolites, mostly desisopropylatrazine, and the formation of 6-acetamidoatrazine which is observed for the first time for manganese porphyrins catalyzed systems.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"278 ","pages":"Article 117588"},"PeriodicalIF":2.4,"publicationDate":"2025-05-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144138443","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}