Polyhedron最新文献

英文中文

A new route to air-stable Cu(0) nanoparticles

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2025-02-01 DOI: 10.1016/j.poly.2024.117319

Kellie J. Jenkinson , Fang Chai , Nicholas Sammy , Christina Boukouvala , Emilie Ringe , Andrew E.H. Wheatley

Cu nanoparticles (NPs) can offer plasmonic properties in the near infrared region of the electromagnetic spectrum while boasting substantially greater abundance than group 11 counterparts Au or Ag and reduced cytotoxicity compared to the latter. To maintain plasmonic responsiveness, the NPs metallic character must be conserved, meaning resistance to environmental oxidation is required. Core@shell Cu@Fe₃O₄ NPs are synthesized here by decomposing Fe(CO)₅ onto preformed Cu seeds made in the presence of oleic acid (OA) and oleylamine (OAm). Variation of the OA:OAm ratio induces seeds to transition from pseudospheres to cubes and then rods. Facile coating succeeds irrespective of seed morphology and is proved for non-magnetic seeds for, as far as we know, the first time. Imaging reveals a continuous, ∼2.5 nm wide Fe₃O₄ shell encapsulating Cu in each morphology. Samples can be redispersed in undried organic media or stored under air as solids for many months without core oxidation, and this is attributed to the coating of the Cu core with an uninterrupted magnetite shell. Treatment with meso-2,3-dimercaptosuccinic acid results in surface ligand exchange without morphological changes. The resulting Cu@Fe₃O₄ NPs can then be dispersed in polar organic solvents or water.

{"title":"A new route to air-stable Cu(0) nanoparticles","authors":"Kellie J. Jenkinson , Fang Chai , Nicholas Sammy , Christina Boukouvala , Emilie Ringe , Andrew E.H. Wheatley","doi":"10.1016/j.poly.2024.117319","DOIUrl":"10.1016/j.poly.2024.117319","url":null,"abstract":"<div><div>Cu nanoparticles (NPs) can offer plasmonic properties in the near infrared region of the electromagnetic spectrum while boasting substantially greater abundance than group 11 counterparts Au or Ag and reduced cytotoxicity compared to the latter. To maintain plasmonic responsiveness, the NPs metallic character must be conserved, meaning resistance to environmental oxidation is required. Core@shell Cu@Fe3O4 NPs are synthesized here by decomposing Fe(CO)5 onto preformed Cu seeds made in the presence of oleic acid (OA) and oleylamine (OAm). Variation of the OA:OAm ratio induces seeds to transition from pseudospheres to cubes and then rods. Facile coating succeeds irrespective of seed morphology and is proved for non-magnetic seeds for, as far as we know, the first time. Imaging reveals a continuous, ∼2.5 nm wide Fe3O4 shell encapsulating Cu in each morphology. Samples can be redispersed in undried organic media or stored under air as solids for many months without core oxidation, and this is attributed to the coating of the Cu core with an uninterrupted magnetite shell. Treatment with meso-2,3-dimercaptosuccinic acid results in surface ligand exchange without morphological changes. The resulting Cu@Fe3O4 NPs can then be dispersed in polar organic solvents or water.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"267 ","pages":"Article 117319"},"PeriodicalIF":2.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143099306","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Surface modifications of cobalt ferrites nanoparticles with chitosan, polyethylene glycol, polyvinyl alcohol, and polyvinylpyrrolidone as antibacterial agents against Staphylococcus aureus, Pseudomonas aeruginosa, and Salmonella enterica

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2025-02-01 DOI: 10.1016/j.poly.2024.117354

Linh Doan , An H. Huynh , Khoa Tran , Quynh N. Le , Khanh G. Huynh

The novelty of this research is developing novel magnetic antibacterial composite. Specifically, cobalt Ferrite (CoFe₂O₄) was synthesized using the co-precipitation method using 1:1.24 CoCl₂·6H₂O:FeCl₃·6H₂O (w/w) in 1.25 M NaOH. The cobalt ferrite was calcined at various temperatures 150 °C, 300 °C, 450 °C, 600 °C, 750 °C, 900 °C to obtain SC150, SC300, SC450, SC600, SC750, and SC900. After coating these particles with polymer blend (M8) – polyethylene glycol (PEG), chitosan (CS), polyvinyl alcohol (PVA), polyvinylpyrrolidone (PVP), the antibacterial activities against Staphylococcus aureus (SA), Pseudomonas aeruginosa (PA), and Salmonella enterica (SE) were determined. Out of these materials, M8SC450 is the best antibacterial agent against SA, SE, and PA. M8SC450 can inhibit at least 90 % of the growth of SE and PA, while inhibiting at least 50 % of the growth of SA. However, at 25 % dilution of M8SC450, SA was killed.

From the characterization methods, SC450 was confirmed to be cobalt ferrite (CoFe₂O₄) with an average size of 11.8 ± 2.0 nm. Additionally, SC450 exhibited the ferromagnetism property and had the highest saturated magnetization of 39.71 emu/g. After coating SC450 with M8, the composite – M8SC450, with 11.68 ± 0.22 % mass ratio (SC450:M8), has the highest saturated magnetization decreased to 5.44 emu/g and still obtain the ferromagnetic properties.

{"title":"Surface modifications of cobalt ferrites nanoparticles with chitosan, polyethylene glycol, polyvinyl alcohol, and polyvinylpyrrolidone as antibacterial agents against Staphylococcus aureus, Pseudomonas aeruginosa, and Salmonella enterica","authors":"Linh Doan , An H. Huynh , Khoa Tran , Quynh N. Le , Khanh G. Huynh","doi":"10.1016/j.poly.2024.117354","DOIUrl":"10.1016/j.poly.2024.117354","url":null,"abstract":"<div><div>The novelty of this research is developing novel magnetic antibacterial composite. Specifically, cobalt Ferrite (CoFe2O4) was synthesized using the co-precipitation method using 1:1.24 CoCl2·6H2O:FeCl3·6H2O (w/w) in 1.25 M NaOH. The cobalt ferrite was calcined at various temperatures 150 °C, 300 °C, 450 °C, 600 °C, 750 °C, 900 °C to obtain SC150, SC300, SC450, SC600, SC750, and SC900. After coating these particles with polymer blend (M8) – polyethylene glycol (PEG), chitosan (CS), polyvinyl alcohol (PVA), polyvinylpyrrolidone (PVP), the antibacterial activities against Staphylococcus aureus (SA), Pseudomonas aeruginosa (PA), and Salmonella enterica (SE) were determined. Out of these materials, M8SC450 is the best antibacterial agent against SA, SE, and PA. M8SC450 can inhibit at least 90 % of the growth of SE and PA, while inhibiting at least 50 % of the growth of SA. However, at 25 % dilution of M8SC450, SA was killed.</div><div>From the characterization methods, SC450 was confirmed to be cobalt ferrite (CoFe2O4) with an average size of 11.8 ± 2.0 nm. Additionally, SC450 exhibited the ferromagnetism property and had the highest saturated magnetization of 39.71 emu/g. After coating SC450 with M8, the composite – M8SC450, with 11.68 ± 0.22 % mass ratio (SC450:M8), has the highest saturated magnetization decreased to 5.44 emu/g and still obtain the ferromagnetic properties.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"267 ","pages":"Article 117354"},"PeriodicalIF":2.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143150199","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}

引用次数: 0

Transition metal complexes of N-furfuryl-N′-benzoylthiourea: A study of synthesis, antibacterial activities, quantum chemical calculations and molecular modeling simulations

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2025-02-01 DOI: 10.1016/j.poly.2024.117357

Canan Avşar , Bahar Tuba Findik , Bülent Dede , Mukadder Erdem-Tuncmen , Fatma Karipcin

The biological activity of acylthiourea compounds, which interact with biological systems due to their molecular structure and redox properties, is generally enhanced when converted to metal complexes. A novel series of five complexes with the formula of Na[ML₂(N₃)X] [M = Co(II) (1), Ni(II) (2), Cu(II) (3)] and K[ML₂(SCN)] [M = Ni(II) (4), Cu(II) (5)] were synthesized using N-furfuryl-N’-benzoylthiourea (HL) with the aim of developing potential antibacterial reagents. The structure of the complexes was elucidated using elemental analysis, IR spectroscopy, thermal analysis, as well as molar conductance, and magnetic measurements. The results indicated that the N-furfuryl-N′-benzoylthiourea ligand behaves as a monobasic bidentate SO ligand. The antibacterial activity of the complexes was evaluated against Gram (+) and Gram (−) bacteria. The copper(II) complexes showed the highest antibacterial activity. Quantum chemical calculations of the complexes were performed at the DFT/B3LYP level of theory using the LANL2DZ basis set, which includes the effective core potentials for metal atoms, and the 6-311G(d,p) basis set for non-metal atoms. The geometric parameters, molecular electrostatic potential diagrams, total density of states and frontier molecular orbitals of each complex were calculated. Molecular docking simulation demonstrated the interactions of the compounds with two selected enzymes, β-ketoacyl-ACP synthase III, and lipoteichoic acid synthase, key enzymes for bacterial survival. Based on the binding energies, copper(II) complex had the best antibacterial activity. The best binding energy was between complex 5 and 1HNJ with an energy value of −9.2 kcal/mol. Molecular dynamics simulations confirmed the stability of the Complex 5-1HNJ couple under physiological conditions.

{"title":"Transition metal complexes of N-furfuryl-N′-benzoylthiourea: A study of synthesis, antibacterial activities, quantum chemical calculations and molecular modeling simulations","authors":"Canan Avşar , Bahar Tuba Findik , Bülent Dede , Mukadder Erdem-Tuncmen , Fatma Karipcin","doi":"10.1016/j.poly.2024.117357","DOIUrl":"10.1016/j.poly.2024.117357","url":null,"abstract":"<div><div>The biological activity of acylthiourea compounds, which interact with biological systems due to their molecular structure and redox properties, is generally enhanced when converted to metal complexes. A novel series of five complexes with the formula of Na[ML2(N3)X] [M = Co(II) (1), Ni(II) (2), Cu(II) (3)] and K[ML2(SCN)] [M = Ni(II) (4), Cu(II) (5)] were synthesized using N-furfuryl-N’-benzoylthiourea (HL) with the aim of developingpotential antibacterial reagents. The structure of the complexes was elucidated using elemental analysis, IR spectroscopy, thermal analysis, as well as molar conductance, and magnetic measurements. The results indicated that the N-furfuryl-N′-benzoylthiourea ligand behaves as a monobasic bidentate SO ligand. The antibacterial activity of the complexes was evaluated against Gram (+) and Gram (−) bacteria. The copper(II) complexes showed the highest antibacterial activity. Quantum chemical calculations of the complexes were performed at the DFT/B3LYP level of theory using the LANL2DZ basis set, which includes the effective core potentials for metal atoms, and the 6-311G(d,p) basis set for non-metal atoms. The geometric parameters, molecular electrostatic potential diagrams, total density of states and frontier molecular orbitals of each complex were calculated. Molecular docking simulation demonstrated the interactions of the compounds with two selected enzymes, β-ketoacyl-ACP synthase III, and lipoteichoic acid synthase, key enzymes for bacterial survival. Based on the binding energies, copper(II) complex had the best antibacterial activity. The best binding energy was between complex 5 and 1HNJ with an energy value of −9.2 kcal/mol. Molecular dynamics simulations confirmed the stability of the Complex 5-1HNJ couple under physiological conditions.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"267 ","pages":"Article 117357"},"PeriodicalIF":2.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143098516","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}

引用次数: 0

The potential of photodynamic therapy combined with hyperthermia using porphyrin-nanomaterial hybrids against the triple-negative breast cancer cell line

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2025-02-01 DOI: 10.1016/j.poly.2024.117341

Vuyokazi Nobatana , James Oyim , Nnamdi Nwahara , Earl Prinsloo , Tebello Nyokong

The efficiencies of (10,20-di(thiophene-2-yl)-5,15-diyl)dimorpholine and its zinc derivative as photodynamic therapy (PDT) agents are herein reported. The complexes were conjugated to gold nanoparticles (AuNPs) which are known for their photothermal activity. The main goal of the study was to combine hyperthermic AuNPs with novel porphyrins to study the synergistic effect and the efficacy of both PDT and hyperthermic effects in vitro against triple-negative breast cancer cells (MDA-MB-231). All the compounds were found to have fluorescence quantum yield values < 0.01 and moderately high singlet oxygen quantum yields due to heavy atom effects associated with the zinc atom and the external atom effect of the AuNPs. PDT against the MDA-MB-231 cell lines was investigated over a dose range of 5–200 µg/mL and hyperthermia activity at 50 µg/mL. The results demonstrated that upon conjugating the porphyrins with the gold nanoparticles, the cell viability significantly decreased.

引用次数: 0

A doubly Phenoxyacetate-bridged dinuclear manganese(II) complex with 1,10-Phenanthroline: Synthesis, 1-D supramolecular structure, Hirshfeld surface analysis, magnetic and theoretical studies

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2025-02-01 DOI: 10.1016/j.poly.2024.117337

Abiodun A. Ajibola , Néstor Cubillán , Ludis Coba-Jiménez , Julia Kłak , Lesław Sieroń , Waldemar Maniukiewicz

We report herein the synthesis and characterization of [Mn₂(POA)₂(Phen)₄](BF₄)₂·H₂O, 1 where POA = phenoxyacetate; Phen = 1,10-phenthroline, respectively. The crystalline complex was obtained via slow evaporation at room temperature and characterized by single crystal X-ray diffraction. FTIR and UV–vis spectroscopy were utilized to elucidate the structure of the new compound. Complex 1 crystallizes in the monoclinic crystal system with space group P2₁/n. Hirshfeld surface analysis revealed various intermolecular interactions in the crystal lattice. Quantum Theory of Atoms in Molecules (QTAIM), Reduced Density Gradient (RDG), and Natural Bond Orbital (NBO) analyses were employed to investigate the diverse non-covalent interactions stabilizing the crystal structure. In complex 1, the BF₄⁻ counterion plays a crucial role in crystal assembly through a network of F···H C interactions with varying strengths governed by the interaction angle and consequent ellipticity. Additionally, B − F···π interactions were observed. Other interactions include weak-to-medium hydrogen bonds and π-interactions (CH···π and π···π) within the asymmetric units and dimers extracted from the unit cell. Notably, unconventional interactions were identified and characterized in complex 1, which is C H···π interactions with the σ(CH) orbital donating to an empty p orbital in the asymmetric unit of 1. Variable-temperature magnetic susceptibility data disclosed the occurrence of weak antiferromagnetic coupling within the doubly bridged manganese(II) core with a J value of – 2.11 cm⁻¹.

{"title":"A doubly Phenoxyacetate-bridged dinuclear manganese(II) complex with 1,10-Phenanthroline: Synthesis, 1-D supramolecular structure, Hirshfeld surface analysis, magnetic and theoretical studies","authors":"Abiodun A. Ajibola , Néstor Cubillán , Ludis Coba-Jiménez , Julia Kłak , Lesław Sieroń , Waldemar Maniukiewicz","doi":"10.1016/j.poly.2024.117337","DOIUrl":"10.1016/j.poly.2024.117337","url":null,"abstract":"<div><div>We report herein the synthesis and characterization of [Mn2(POA)2(Phen)4](BF4)2·H2O, 1 where POA = phenoxyacetate; Phen = 1,10-phenthroline, respectively. The crystalline complex was obtained via slow evaporation at room temperature and characterized by single crystal X-ray diffraction. FTIR and UV–vis spectroscopy were utilized to elucidate the structure of the new compound. Complex 1 crystallizes in the monoclinic crystal system with space group P21/n. Hirshfeld surface analysis revealed various intermolecular interactions in the crystal lattice. Quantum Theory of Atoms in Molecules (QTAIM), Reduced Density Gradient (RDG), and Natural Bond Orbital (NBO) analyses were employed to investigate the diverse non-covalent interactions stabilizing the crystal structure. In complex 1, the BF4− counterion plays a crucial role in crystal assembly through a network of F···H <img> C interactions with varying strengths governed by the interaction angle and consequent ellipticity. Additionally, B − F···π interactions were observed. Other interactions include weak-to-medium hydrogen bonds and π-interactions (CH···π and π···π) within the asymmetric units and dimers extracted from the unit cell. Notably, unconventional interactions were identified and characterized in complex 1, which is C <img> H···π interactions with the σ(CH) orbital donating to an empty p orbital in the asymmetric unit of 1. Variable-temperature magnetic susceptibility data disclosed the occurrence of weak antiferromagnetic coupling within the doubly bridged manganese(II) core with a J value of – 2.11 cm−1.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"267 ","pages":"Article 117337"},"PeriodicalIF":2.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143150198","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}

引用次数: 0

Structure characterization, DNA binding, molecular docking and antitumor activity of manganese isothiocyanate complex with neocuproine ligand

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2025-02-01 DOI: 10.1016/j.poly.2024.117364

Mohamed M. El-bendary , Abdullah Akhdhar , Doaa Domyati , Ehab M.M. Ali , Bambar Davaasuren , Mariusz Jaremko , Ahmed S. Badr El-din , Mostafa A. Hussien

The novel complex of [Mn(SCN)₂(neo)₂], (1) was isolated at room temperature by mixing aqueous solutions of potassium thiocyanate and 2,9-dimethyl-1,10-phenanthroline (neocuproine) (neo) with that of manganese (II) chloride tetrahydrate. Complex 1 was fully described using FT-IR, UV–vis, and elemental analysis. The crystal structure of complex 1 was solved using single-crystal X-ray diffraction. The distorted octahedral geometry of Mn atom in complex 1 is caused by its chelation by two molecules of neocuproine ligands through four nitrogen atoms and two NCS anions in cis position. The discrete units of complex 1 assemble to create a 3D supramolecular network utilizing H-bonding and π–π stacking interactions. HepG2, HCT116, and MDA are three distinct cancer cell lines that were utilized to assess the anticancer activities of the newly developed complex 1. Using a normal cell line (MRC5), the cytotoxicity and selectivity of the designed complex 1 were assessed. A molecular docking investigation involving three cancer proteins and DNA is conducted to demonstrate the anticancer properties. Additionally, complex 1’s DNA binding ability was estimated using viscometric and spectroscopic methods. Lastly, the luminescence spectra of complex 1 and neocuproine were studied.

{"title":"Structure characterization, DNA binding, molecular docking and antitumor activity of manganese isothiocyanate complex with neocuproine ligand","authors":"Mohamed M. El-bendary , Abdullah Akhdhar , Doaa Domyati , Ehab M.M. Ali , Bambar Davaasuren , Mariusz Jaremko , Ahmed S. Badr El-din , Mostafa A. Hussien","doi":"10.1016/j.poly.2024.117364","DOIUrl":"10.1016/j.poly.2024.117364","url":null,"abstract":"<div><div>The novel complex of [Mn(SCN)2(neo)2], (1) was isolated at room temperature by mixing aqueous solutions of potassium thiocyanate and 2,9-dimethyl-1,10-phenanthroline (neocuproine) (neo) with that of manganese (II) chloride tetrahydrate. Complex 1 was fully described using FT-IR, UV–vis, and elemental analysis. The crystal structure of complex 1 was solved using single-crystal X-ray diffraction. The distorted octahedral geometry of Mn atom in complex 1 is caused by its chelation by two molecules of neocuproine ligands through four nitrogen atoms and two NCS anions in cis position. The discrete units of complex 1 assemble to create a 3D supramolecular network utilizing H-bonding and π–π stacking interactions. HepG2, HCT116, and MDA are three distinct cancer cell lines that were utilized to assess the anticancer activities of the newly developed complex 1. Using a normal cell line (MRC5), the cytotoxicity and selectivity of the designed complex 1 were assessed. A molecular docking investigation involving three cancer proteins and DNA is conducted to demonstrate the anticancer properties. Additionally, complex 1’s DNA binding ability was estimated using viscometric and spectroscopic methods. Lastly, the luminescence spectra of complex 1 and neocuproine were studied.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"267 ","pages":"Article 117364"},"PeriodicalIF":2.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143150200","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}

引用次数: 0

Synthesis of (C^N, S^S)-cyclometallated phosphonodithiolate gold(III) complexes

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2025-02-01 DOI: 10.1016/j.poly.2024.117363

Paula Pérez-Ramos, David Elorriaga, Daniel García-Vivó, Salomé López, Raquel G. Soengas, Humberto Rodríguez-Solla

Herein we report the complexation of gold(III) with chalcogenophosphorous ligands derived from Lawesson’s reagent (LR). The reaction of Lawesson’s reagent with (ppy)AuCl₂ (ppy = 2-phenylpyridine) led to the novel [Au(ppy){S₂P(O)(p-MeO-C₆H₄)] complexes 4, resulting from the demethylation of the expected [Au(ppy){S₂P(MeO)(p-MeO-C₆H₄)]⁺ complexes. The novel gold(III) phosphonodithiolate complexes have been studied by HRMS, multinuclear NMR and X-ray crystallography. To the best of our knowledge this is the first reported synthesis of phosphonodithiolate gold(III) complexes of LR and provides a valuable addition to the few examples of gold complexes containing organophosphorus-chalcogen ligands.

引用次数: 0

Emerging poly(Ani-co-Py)/Bi2O3/AgI composites for antibacterial and antioxidant applications

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2025-02-01 DOI: 10.1016/j.poly.2024.117346

Mohammad Mizanur Rahman Khan , Mohammad Riaz Hosen Shohag , Mohammad Shahadat Hossain Chowdhury , Md Sultan Mahmud Rony , Shaikh Jamal Uddin , Mobinul Islam , Jae-Ho Jeong

Poly(Ani-co-Py) was synthesized using aniline (Ani) and pyrrole (Py) and its composites poly(Ani-co-Py)/Bi₂O₃/AgI composites were fabricated with the extent of Bi₂O₃ and AgI maintaining 5 to 15 wt% ratio. FESEM analysis displayed that the freshly prepared copolymers and composites exhibited aggregated and spherical-shaped morphology with diameter 200–300 nm and 50–300 nm, respectively. The EDS data revealed the incorporation of both Bi₂O₃ and AgI in the composite samples. These poly(Ani-co-Py) and poly(Ani-co-Py)/Bi₂O₃/AgI composites were used to investigate their antibacterial properties using the resazurine-assisted microtiter plate-based antibacterial test. In the investigation, both the copolymers and composites exhibited antibacterial properties against Escherichia coli and Bacillus subtilis bacteria. Further, poly(Ani-co-Py) and Poly(Ani-co-Py)/Bi₂O₃/AgI composites with in vitro antioxidant activity was assessed by using free radical (α,α-diphenyl-β-picrylhydrazyl (DPPH) scavenging assay. The synthesized copolymers and composites exhibited IC₅₀ value around 38.74 and 41.70–42.60 µg/mL, respectively indicating their better antioxidant properties. This poly(Ani-co-Py)/Bi₂O₃/AgI composites could be an emerging materials in the area of antimicrobial and antioxidant activity.

{"title":"Emerging poly(Ani-co-Py)/Bi2O3/AgI composites for antibacterial and antioxidant applications","authors":"Mohammad Mizanur Rahman Khan , Mohammad Riaz Hosen Shohag , Mohammad Shahadat Hossain Chowdhury , Md Sultan Mahmud Rony , Shaikh Jamal Uddin , Mobinul Islam , Jae-Ho Jeong","doi":"10.1016/j.poly.2024.117346","DOIUrl":"10.1016/j.poly.2024.117346","url":null,"abstract":"<div><div>Poly(Ani-co-Py) was synthesized using aniline (Ani) and pyrrole (Py) and its composites poly(Ani-co-Py)/Bi2O3/AgI composites were fabricated with the extent of Bi2O3 and AgI maintaining 5 to 15 wt% ratio. FESEM analysis displayed that the freshly prepared copolymers and composites exhibited aggregated and spherical-shaped morphology with diameter 200–300 nm and 50–300 nm, respectively. The EDS data revealed the incorporation of both Bi2O3 and AgI in the composite samples. These poly(Ani-co-Py) and poly(Ani-co-Py)/Bi2O3/AgI composites were used to investigate their antibacterial properties using the resazurine-assisted microtiter plate-based antibacterial test. In the investigation, both the copolymers and composites exhibited antibacterial properties against Escherichia coli and Bacillus subtilis bacteria. Further, poly(Ani-co-Py) and Poly(Ani-co-Py)/Bi2O3/AgI composites with in vitro antioxidant activity was assessed by using free radical (α,α-diphenyl-β-picrylhydrazyl (DPPH) scavenging assay. The synthesized copolymers and composites exhibited IC50 value around 38.74 and 41.70–42.60 µg/mL, respectively indicating their better antioxidant properties. This poly(Ani-co-Py)/Bi2O3/AgI composites could be an emerging materials in the area of antimicrobial and antioxidant activity.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"267 ","pages":"Article 117346"},"PeriodicalIF":2.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143098903","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}

引用次数: 0

Synthesis, characterization and incorporation of two phosphine-based ruthenium(II) complexes into lipid nanocarriers as potential antimicrobial agents

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2025-02-01 DOI: 10.1016/j.poly.2024.117340

Francisco W.P. Santana , Antonio C. de S. Silva , Alejandro Pedro Ayala , Ellen A. Malveira , Eduardo H.S. Sousa , Edson H. Teixeira , Mayron A. Vasconcelos , Luiz G.F. Lopes , Alda K.M. Holanda

The reaction of RuCl₃ with dppb = 1,4-bis(diphenylphosphino)butane yielded the binuclear complex [Ru₂(dppb)₃Cl₄] (I), which was used as a precursor in the preparation of the [Ru(dppb)(Spym)₂] (II) (Spym = 2-mercaptopyrimidine). These compounds were characterized using spectroscopic and electrochemical techniques, X-ray crystallography, and elemental analysis. Despite their promising biological profiles, they exhibit poor water solubility (<0.005 mg mL⁻¹), which limits their potential use as antimicrobial agents. To overcome this issue, we employed an encapsulation strategy that incorporated these metal complexes into lipid nanoparticles to improve their solubility and enhance their potential therapeutic action. This nanoformulation containing Pluronic F-127 and Capryol 90 showed the best profile with an enhancement of solubility of up to 4,900-fold. Additionally, preliminary in vitro antibacterial assays against Gram-positive (Staphylococcus aureus and Staphylococcus epidermidis) and Gram-negative bacteria (Pseudomonas aeruginosa and Escherichia coli) were carried out with free and nanoencapsulated metal compounds along with empty lipid nanoparticle as well. Surprisingly, the empty-nanoformulation also showed bacteriostatic activity, which highlights an issue that must be carefully addressed during the use of any nanostructure. Nevertheless, this nanoformulation required the metal compound II for biocidal action (MBC of 128 μg mL⁻¹), which should be further investigated.

{"title":"Synthesis, characterization and incorporation of two phosphine-based ruthenium(II) complexes into lipid nanocarriers as potential antimicrobial agents","authors":"Francisco W.P. Santana , Antonio C. de S. Silva , Alejandro Pedro Ayala , Ellen A. Malveira , Eduardo H.S. Sousa , Edson H. Teixeira , Mayron A. Vasconcelos , Luiz G.F. Lopes , Alda K.M. Holanda","doi":"10.1016/j.poly.2024.117340","DOIUrl":"10.1016/j.poly.2024.117340","url":null,"abstract":"<div><div>The reaction of RuCl3 with dppb = 1,4-bis(diphenylphosphino)butane yielded the binuclear complex [Ru2(dppb)3Cl4] (I), which was used as a precursor in the preparation of the [Ru(dppb)(Spym)2] (II) (Spym = 2-mercaptopyrimidine). These compounds were characterized using spectroscopic and electrochemical techniques, X-ray crystallography, and elemental analysis. Despite their promising biological profiles, they exhibit poor water solubility (<0.005 mg mL−1), which limits their potential use as antimicrobial agents. To overcome this issue, we employed an encapsulation strategy that incorporated these metal complexes into lipid nanoparticles to improve their solubility and enhance their potential therapeutic action. This nanoformulation containing Pluronic F-127 and Capryol 90 showed the best profile with an enhancement of solubility of up to 4,900-fold. Additionally, preliminary in vitro antibacterial assays against Gram-positive (Staphylococcus aureus and Staphylococcus epidermidis) and Gram-negative bacteria (Pseudomonas aeruginosa and Escherichia coli) were carried out with free and nanoencapsulated metal compounds along with empty lipid nanoparticle as well. Surprisingly, the empty-nanoformulation also showed bacteriostatic activity, which highlights an issue that must be carefully addressed during the use of any nanostructure. Nevertheless, this nanoformulation required the metal compound II for biocidal action (MBC of 128 μg mL−1), which should be further investigated.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"267 ","pages":"Article 117340"},"PeriodicalIF":2.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143098519","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}

引用次数: 0

Dysprosium complex with 1,10-phenanthroline-5,6-dione: Synthesis, structure, DNA binding profile, and in vitro cytotoxic evaluation against HT29 cancer cell lines

IF 2.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Polyhedron

Pub Date : 2025-02-01 DOI: 10.1016/j.poly.2024.117367

Ali Tilehkan, Majid Arvand

The study investigates the interactions between a dysprosium(III) complex containing 1,10-phenanthroline-5,6-dione (Dy(phen-dion)₃) and deoxyribonucleic acid (DNA), utilizing a range of analytical techniques. These methods include cyclic voltammetry (CV), UV–Vis spectroscopy, Fourier transform infrared (FT-IR) spectroscopy, electrophoresis, fluorescence spectrophotometry, and molecular docking calculations. The findings reveal compelling evidence of significant binding between Dy(phen-dion)₃ and DNA. The binding affinity of Dy(phen-dion)₃ to DNA was quantified, yielding a high binding constant (K_b) of 3 × 10⁵ M⁻¹. Additionally, fluorescence resonance energy transfer experiments indicated efficient energy transfer between DNA as the donor and Dy(phen-dion)₃ as the acceptor, suggesting close proximity between the two entities. The quenching constant (K_SV) obtained for this complex was 1.94 × 10⁻³ M⁻¹. Electrochemical measurements suggest a groove-binding mode for the complex with DNA, characterized by a 1:1 binding ratio. The interaction is likely facilitated by hydrogen bonding and van der Waals forces, which play crucial roles in stabilizing the complex. Moreover, the in vitro antitumor activity of Dy(phen-dion)₃ was assessed using the MTT assay on HT29 cells. The results showed that with the increase in the concentration of Dy(phen-dion)₃, the resistance of HT29 cancer cells to the anticancer drug methotrexate (MTX) increased at a concentration of 10.16 μg mL⁻¹, highlighting the potential of the complex as an effective therapeutic agent in the treatment of colorectal cancer.

{"title":"Dysprosium complex with 1,10-phenanthroline-5,6-dione: Synthesis, structure, DNA binding profile, and in vitro cytotoxic evaluation against HT29 cancer cell lines","authors":"Ali Tilehkan, Majid Arvand","doi":"10.1016/j.poly.2024.117367","DOIUrl":"10.1016/j.poly.2024.117367","url":null,"abstract":"<div><div>The study investigates the interactions between a dysprosium(III) complex containing 1,10-phenanthroline-5,6-dione (Dy(phen-dion)3) and deoxyribonucleic acid (DNA), utilizing a range of analytical techniques. These methods include cyclic voltammetry (CV), UV–Vis spectroscopy, Fourier transform infrared (FT-IR) spectroscopy, electrophoresis, fluorescence spectrophotometry, and molecular docking calculations. The findings reveal compelling evidence of significant binding between Dy(phen-dion)3 and DNA. The binding affinity of Dy(phen-dion)3 to DNA was quantified, yielding a high binding constant (Kb) of 3 × 105 M−1. Additionally, fluorescence resonance energy transfer experiments indicated efficient energy transfer between DNA as the donor and Dy(phen-dion)3 as the acceptor, suggesting close proximity between the two entities. The quenching constant (KSV) obtained for this complex was 1.94 × 10−3 M−1. Electrochemical measurements suggest a groove-binding mode for the complex with DNA, characterized by a 1:1 binding ratio. The interaction is likely facilitated by hydrogen bonding and van der Waals forces, which play crucial roles in stabilizing the complex. Moreover, the in vitro antitumor activity of Dy(phen-dion)3 was assessed using the MTT assay on HT29 cells. The results showed that with the increase in the concentration of Dy(phen-dion)3, the resistance of HT29 cancer cells to the anticancer drug methotrexate (MTX) increased at a concentration of 10.16 μg mL−1, highlighting the potential of the complex as an effective therapeutic agent in the treatment of colorectal cancer.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"267 ","pages":"Article 117367"},"PeriodicalIF":2.4,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143098520","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}

引用次数: 0

首页上一页

下一页尾页

类型

全部化学•材料生命科学医学物理工程技术环境•农林材料科学地球科学法学管理学化学环境科学与生态学计算机科学教育学经济学农林科学人文科学生物学数学物理与天体物理心理学综合性期刊其他工业工程理学历史学农学文学信息工程

数据库

全部 ACS Publications Elsevier ieeexplore Springer The Royal Society of Chemistry Wiley

期刊

Polyhedron

全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.

﹀