Polyhedron最新文献

{"title":"Selective co-crystallization of [AuI6AgI3CuII3]3+ and [MI3CoIII2]3− (M = Au/Ag) complexes containing penicillamine ligand","authors":"Benny Wahyudianto ,&nbsp;Tatsuhiro Kojima ,&nbsp;Nobuto Yoshinari ,&nbsp;Takumi Konno","doi":"10.1016/j.poly.2025.117821","DOIUrl":"10.1016/j.poly.2025.117821","url":null,"abstract":"<div><div>Co-crystallization is one beneficial method to synthesize a single crystal from two different molecules, providing high ionic charges. Recently, we successfully synthesized several hybrid complexes between a 12-nuclear cationic framework of {Au^I₆Ag^I₃Cu^II₃(tdme)₂(D-pen)₆}³⁺ (tdme = 1,1,1-tris(diphenylphosphinomethyl)ethane); D-pen²⁻ = D-penicilaminate) and a 5-nuclear anionic molecule of [M^I₃Co^III₂(pen)₆]³⁻ (M = Au or Ag) through a slow evaporation process. X-ray and spectroscopic analysis revealed that the cationic framework has selective chiral recognition towards one orientation of the penicillamine ligand in the anionic complex. Several factors, such as ionic interaction, solubility of substrates, and suitable cavity space of the {Au^I₆Ag^I₃Cu^II₃(tdme)₂(D-pen)₆}³⁺ framework, play a role in crystallizing hybrid complexes from the reaction mixture.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"283 ","pages":"Article 117821"},"PeriodicalIF":2.6,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145322556","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":"Corrigendum to “Molecular docking, evaluation of antibacterial activity, and Hirschfeld surface analysis of iron (II) porphyrin complex” [Polyhedron 279 (2025) 117634]","authors":"Arbia Ben Khelifa ,&nbsp;Salma Dhifaoui ,&nbsp;Khaireddine Ezzayani ,&nbsp;Amal N. Alanazi ,&nbsp;Souad Moussa ,&nbsp;Habib Nasri","doi":"10.1016/j.poly.2025.117806","DOIUrl":"10.1016/j.poly.2025.117806","url":null,"abstract":"","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"282 ","pages":"Article 117806"},"PeriodicalIF":2.6,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145320992","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Evaluation of the hydrogen volumetric storage performance of zeolitic imidazolate scaffold doped with anatase TiO2","authors":"Fulya Karaoğlu,&nbsp;Yaylagül Ulutaş,&nbsp;Ayten Ateş","doi":"10.1016/j.poly.2025.117820","DOIUrl":"10.1016/j.poly.2025.117820","url":null,"abstract":"<div><div>ZIF-8, a member of the zeolitic imidazolate framework family, has attracted great interest for hydrogen storage due to its well-defined microporous structure, chemical tunability and excellent thermal and mechanical stability. In this study, ZIF-8 was synthesized using methanol as a reaction medium and subsequently modified by incorporating different amounts (1–4 %) of anatase titanium dioxide (TiO₂) to improve its hydrogen storage properties. A range of advanced characterization methods – including SEM, STEM, XRD, Raman spectroscopy, XPS, BET surface analysis and FTIR spectroscopy - were employed to thoroughly investigate the structural and morphological properties of the resulting materials. The analyses confirmed the successful integration of TiO₂ into the ZIF-8 framework without compromising its crystalline integrity. Among the composites, the sample with 3.87 % TiO₂ showed the largest surface area and better hydrogen uptake performance. These results highlight the potential of TiO₂-functionalised ZIF-8 as an efficient material for hydrogen storage and provide valuable insights for the development of next-generation energy storage systems.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"283 ","pages":"Article 117820"},"PeriodicalIF":2.6,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145322563","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":"Selective hydration of nitriles to amides with Ag, Co, and Sr doped hydroxyapatite as nanocatalyst","authors":"Farzaneh Moghaddar,&nbsp;Felora Heshmatpour","doi":"10.1016/j.poly.2025.117809","DOIUrl":"10.1016/j.poly.2025.117809","url":null,"abstract":"<div><div>The hydration of nitriles to amides, a key process in organic synthesis, is often hindered by harsh reaction conditions, harmful side products, and limited catalyst reusability. This study introduces a novel approach by developing nanohydroxyapatite (nHA), a biocompatible and mesoporous material, as a sustainable catalyst support, with Ag, Sr, and Co doping to enhance catalytic performance for selective nitrile hydration. The incorporation of Co, in particular, reduces crystal size, increases surface area, and provides active Lewis acid sites, significantly improving reaction kinetics and yield. The catalysts were synthesized via a co-precipitation method and characterized using X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), Brunauer-Emmett-Teller (BET), Scanning Electron Microscopy (SEM), Energy dispersive X-ray analysis (EDX), and mapping techniques. The synthesized catalysts exhibited crystal sizes of 20–27 nm and surface areas of 42.368–64.279 m²/g. The nHA/Co nanocatalyst achieved the highest performance, with a yield of 96 % ± 1 % at 100 °C for 3 h, significantly outperforming undoped nHA and other doped variants (<em>p</em> &lt; 0.05, ANOVA). nHA/Co also demonstrated excellent stability, with yield decreasing only to 90 % ± 1 % after six cycles. These results highlight the potential of nHA-based nanocatalysts for efficient, environmentally friendly nitrile hydration.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"283 ","pages":"Article 117809"},"PeriodicalIF":2.6,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145271392","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":"Influence of the bridging 4′-pyridyl-2,2′:6′,2″-terpyridine chelate ligands on the rate of aqua substitution from the terminal Pt(II) centres of heterometallic RuPt complexes","authors":"Aishath Shaira ,&nbsp;Deogratius Jaganyi ,&nbsp;Allen Mambanda ,&nbsp;Tshephiso Papo","doi":"10.1016/j.poly.2025.117817","DOIUrl":"10.1016/j.poly.2025.117817","url":null,"abstract":"<div><div>The rate of substitution of a series of heterometallic Ru(II)-Pt(II) complexes; <em>cis</em>-[Pt(en)(py)H₂O](CF₃SO₃)₂, <strong>C1</strong>, <em>cis</em>-[(tpy)Ru-(4′-pytpy)-Pt(<em>en</em>)H₂O](CF₃SO₃)₄, <strong>C2</strong> and <em>cis</em>-[H₂O(<em>en</em>)Pt(4′-pytpy)-Ru-(4′-pytpy)-Pt(<em>en</em>)H₂O](CF₃SO₃)₆, <strong>C3</strong> (en = 1,2-ethylenediamine, py = pyridine, tpy = 2,2′:6′,2″-terpyridine and 4′-pytpy = 4′-pyridyl-2,2′:6′,2″-terpyridine) with thiourea nucleophiles, <em>viz.</em> thiourea (TU), 1,3-dimethylthiourea (DMTU) and 1,1,3,3-tetramethylthiourea (TMTU) were studied under <em>pseudo</em>-first-order conditions as a function of concentration and temperature using UV–visible and Stopped Flow spectrophotometers. In these complexes, the Pt centres are anchored by en (non π-acceptor chelate ligand). This allowed the quantitative assessment of the <em>cis</em>-effect on the rate (of the aqua substitution) of the -[Ru(4′-pytpy)(tpy)]²⁺ bridging motif(s) possible. Under the <em>pseudo</em> first-order condition, the substitution proceeded <em>via</em> a single step in which aqua substitution from the [Pt(en)(py)H₂O] square-plane of these complexes by the nucleophiles followed the rate law: <em>k</em>_obs = <em>k</em>₂[Nu]. The observed reactivity trend, <strong>C3</strong> ≈ <strong>C2</strong> &gt; <strong>C1,</strong> correlates with the observed trends in the p<em>K</em>_a data. The rate of aqua substitution by the thiourea nucleophiles is influenced by the π-back-bonding through the <em>cis</em>-position Pt-Npy bond into the [-Ru(4′-pytpy)(tpy)<strong>/(</strong>4′-pytpy)-]-bridging motifs. Also, a factor due to the rigidity of the 4′-pytpy is the through-bond charge addition between the Pt and the Ru centres. The substitution rate decreases with an increase in the steric bulk in the following order: TU &gt; DMTU &gt; TMTU. The negative entropy of activation and the small enthalpy of activation indicate a limiting associative mode of substitution.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"282 ","pages":"Article 117817"},"PeriodicalIF":2.6,"publicationDate":"2025-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145266932","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":"Transition metal complexes with quinoline-2-carboxylate ligand: synthesis, crystal structure, thermal analysis and quantum chemical calculations","authors":"Renata Łyszczek ,&nbsp;Justyna Sienkiewicz-Gromiuk ,&nbsp;Halina Głuchowska ,&nbsp;Dmytro Vlasyuk ,&nbsp;Marcin Groszek ,&nbsp;Grzegorz Świderski ,&nbsp;Agnieszka Pladzyk","doi":"10.1016/j.poly.2025.117816","DOIUrl":"10.1016/j.poly.2025.117816","url":null,"abstract":"<div><div>Four novel molecular complexes of quinoline-2-carboxylic acid with transition metal ions, formulated as [Mn(QLC)₂(H₂O)₂]·0.5DMF (<strong>1</strong>), [Ni(QLC)₂(H₂O)₂]·0.5DMF (<strong>2</strong>), [Co(QLC)₂(H₂O)] (<strong>3</strong>) and [Cu(QLC)₂(DMF)₂] (<strong>4</strong>) where QLC=C₁₀H₆NO₂⁻, were synthesized under solvothermal or ultrasound-assisted conditions in the presence of <em>N</em>,<em>N</em>-dimethylformamide (DMF). Their crystal structures and molecular packing were investigated using single-crystal X-ray diffraction analysis. The investigated quinoline-2-carboxylates were further characterized by UV–Vis and ATR-FTIR spectroscopy, thermal analysis methods (TG-DSC, TG-FTIR), and quantum chemical calculations. Spectroscopic characteristics reflect their molecular structures. Quantum chemical calculations indicate that metal complexes formation with quinoline-2-carboxylic acid stabilizes the pyridine ring, increases aromaticity, and reduces molecular reactivity. Their thermal stability change in the following order: <strong>1</strong> (90 °C) &lt; <strong>3</strong> (100 °C) &lt; <strong>2</strong> (130 °C) &lt; <strong>4</strong> (163 °C). At higher temperatures, a desolvation process occurs first. During their thermal decomposition in nitrogen, volatile compounds such as: water, DMF, quinoline and carbon oxides are evolved.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"282 ","pages":"Article 117816"},"PeriodicalIF":2.6,"publicationDate":"2025-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145266931","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, characterization, and biological evaluation of novel zinc(II) complexes with biologically relevant β-diketo ester ligands: DNA and protein binding studies and molecular docking analysis","authors":"Ignjat Filipović ,&nbsp;Nenad Joksimović ,&nbsp;Snežana Stojanović ,&nbsp;Jelena Petronijević ,&nbsp;Danijela Nikodijević ,&nbsp;Milena Milutinović ,&nbsp;Nevena Petrović ,&nbsp;Marijana Kosanić","doi":"10.1016/j.poly.2025.117813","DOIUrl":"10.1016/j.poly.2025.117813","url":null,"abstract":"<div><div>Zinc(II) complexes have recently attracted attention for their potential roles in cancer therapy and antimicrobial applications due to their biocompatibility and versatile coordination chemistry. In this study, we synthesized and characterized a series of novel zinc(II) complexes with biologically relevant β-diketo ester ligands. Their biological efficacy was evaluated through antimicrobial and antitumor assays. Antimicrobial activity was tested against five bacterial and five fungal strains, with complex <strong>B2</strong> showing the strongest effect. Antitumor activity was assessed using the SW480 cancer cell line and the HaCaT normal cell line, where complexes <strong>B1</strong> and <strong>B2</strong> displayed potent cytotoxicity with IC₅₀ values of 11.5 μM and 15.81 μM, respectively. Both compounds exhibited a selectivity index (SI) above 8, suggesting preferential toxicity towards cancer cells. Mechanistic studies confirmed that <strong>B1</strong> and <strong>B2</strong> primarily induce apoptosis in SW480 cells. DNA binding experiments revealed groove binding as the predominant interaction mode, with binding constants (K_b) of 1.96 × 10³ M⁻¹ and 4.31 × 10³ M⁻¹ for compounds <strong>B1</strong> and <strong>B2</strong>, respectively. Bovine serum albumin (BSA) binding analyses indicated the formation of highly stable complexes, with binding constants (K) of 3.24 × 10⁸ M⁻¹ and 5.20 × 10⁵ M⁻¹ for compounds <strong>B1</strong> and <strong>B2</strong>, respectively. Molecular docking further supported the binding interactions of <strong>B1</strong> and <strong>B2</strong>. These findings highlight the promise of zinc(II) β-diketo ester complexes as potential candidates for anticancer and antimicrobial applications.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"282 ","pages":"Article 117813"},"PeriodicalIF":2.6,"publicationDate":"2025-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145266935","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":"Tweezer-like dinuclear 1,2,3-triazole silver cyclic complexes","authors":"Javier Sánchez-Escalera ,&nbsp;Alberto Cedillo-Cruz ,&nbsp;Marco A. García-Eleno ,&nbsp;Diego Martínez-Otero ,&nbsp;Mario Valle-Sánchez ,&nbsp;David Morales-Morales ,&nbsp;Erick Cuevas-Yañez","doi":"10.1016/j.poly.2025.117807","DOIUrl":"10.1016/j.poly.2025.117807","url":null,"abstract":"<div><div>The first examples of dinuclear 1,2,3-triazole silver cyclic complexes with a tweezer-like structure are described. These complexes are obtained from straightforward coordination of diverse 1,2,3-triazoles and silver triflate under microwave irradiation. The structure of the synthesized compounds was unambiguously determined by X-ray analysis, revealing that 1,2,3-triazole rings bear as bidentate ligands for the silver centers, which are also bridged by triflate ions. A subsequent Hirshfeld surface analysis corroborates that crystal packing in these complexes is primarily driven by intermolecular O⋯H interactions.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"282 ","pages":"Article 117807"},"PeriodicalIF":2.6,"publicationDate":"2025-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145266772","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":"Recent progress of mixed-linker Zn2+ metal-organic frameworks and their applications","authors":"Nur Amani Najwa Shamsulazri ,&nbsp;Nurhidayah Saifullizan ,&nbsp;Sumiyyah Sabar ,&nbsp;Velan Raman ,&nbsp;Ratna Ediati ,&nbsp;Nobuto Yoshinari ,&nbsp;Sharifa Zaithun Begum ,&nbsp;Enis Nadia Md Yusof","doi":"10.1016/j.poly.2025.117808","DOIUrl":"10.1016/j.poly.2025.117808","url":null,"abstract":"<div><div>Metal-organic frameworks (MOFs) are regarded as a versatile class of porous materials, demonstrating widespread applications owing to their tunable structures and outstanding properties. Among MOFs, mixed-linker varieties containing Zn²⁺ ions, have emerged as promising materials with unique properties and versatile functionalities. The innovative approach has led to the development of MOFs with unique functional and structural features, making them promising candidates for various applications. This paper presents the latest five-year breakthrough in mixed-linker Zn²⁺ MOFs, highlighting their synthesis, structural diversity, and noteworthy properties. Additionally, it explores the diverse applications of these MOFs in environmental and energy fields, such as sensing, gas storage and separation, and electronic and electrochromic applications. The combination of mixed-linker systems and Zn²⁺ metal ions offers intriguing prospects for the future MOF research, with the potential to address critical challenges in various technological domains.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"282 ","pages":"Article 117808"},"PeriodicalIF":2.6,"publicationDate":"2025-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145266933","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":"Fluorogenic probes based on 2,2′-thiobis(ethylamine) binding motifs: Selective analyte detection and emerging opportunities","authors":"Nidhi Goswami ,&nbsp;Sudhanshu Naithani ,&nbsp;Ritesh Dubey ,&nbsp;Brij Bhushan ,&nbsp;Samar Layek ,&nbsp;Tapas Goswami ,&nbsp;Sushil Kumar","doi":"10.1016/j.poly.2025.117812","DOIUrl":"10.1016/j.poly.2025.117812","url":null,"abstract":"<div><div>Fluorescent molecular probes represent viable platforms for the selective detection of cations, anions, and neutral species, offering sensitivity, operational simplicity, and real-time response. The analyte-binding unit plays a central role in dictating both selectivity and signal output. This review focuses on fluorogenic probes incorporating 2,2′-thiobis(ethylamine) (TBEA) as a binding motif, with primary emphasis on their application in metal ion sensing. The TBEA scaffold combines hard-soft donor features with terminal amine groups, supporting Schiff base architectures and facilitating efficient metal coordination. Reported examples include TBEA-based probes coupled with fluorophores such as rhodamine, naphthalene, and pyrene, where structural variations in the binding unit modulate analyte specificity and fluorescence response. Though reports of TBEA-based anion sensing remain limited, this avenue is outlined as a promising future direction. This study concludes with current challenges, including solubility and selectivity issues, and identifies opportunities for the development of next-generation TBEA sensors for biological and environmental applications.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"282 ","pages":"Article 117812"},"PeriodicalIF":2.6,"publicationDate":"2025-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145266771","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}