Structure, CO-releasing property, electrochemistry, DFT calculation, and antioxidant activity of benzimidazole derivative substituted [Mn(CO)3(bpy)L]PF6 type novel manganese complexes

Üstün, Elvan; Ayvaz, Melek Çöl; Çelebi, Mutlu Sönmez; Aşcı, Gizem; Demır, Serpıl; Özdemır, İsmaıl

doi:10.1016/j.ica.2016.05.027

Cited by 25 publications

(7 citation statements)

References 61 publications

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“…These parameters are useful in order to support the suggestion structures. The mentioned quantum chemical parameters were calculated with the help of the following equations:

normalΔE = E_{LUMO} - E_{HOMO}

χ = \frac{- ((), E_{HOMO} + E_{LUMO})}{2}

η = \frac{E_{LUMO} - E_{HOMO}}{2}

σ = \frac{1}{η}

italicPi = - χ

S = \frac{1}{2 η}

ω = \frac{{italicPi}^{2}}{2 η}

Δ N_{\max} = - \frac{Pi}{η}

…”

Section: Resultsmentioning

confidence: 99%

Coordination compounds of some transition metal ions with new Schiff base ligand derived from dibenzoyl methane. Structural characterization, thermal behavior, molecular structure, antimicrobial, anticancer activity and molecular docking studies

Mahmoud

El-Sayed

2017

Applied Organom Chemis

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Series of Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) complexes were prepared with tetradentate Schiff base ligand derived by condensation of 2‐aminophenol with dibenzoylmethane. The novel Schiff base H2L (2–2′‐((1Z,1Z’)‐(1,3‐diphenyl propane‐1,3 diylidene) bis (azanylylidene) diphenol) and its binary metal complexes were characterized by physicochemical procedures i.e. elemental analysis, FT‐IR, UV–Vis, thermal analyses (TGA/DTG), mass spectrometry, magnetic susceptibility and conductometric measurements. On the basis of these studies, an octahedral geometry for all these complexes was proposed expect Ni(II) complex which had tetrahedral geometry. Molar conductivity values revealed that the complexes were electrolytes except Mn(II), Zn(II) and Cd(II) complexes were non electrolytes. The ligand bound to the metal ions via two azomethine N and two phenolic OH as indicated from the IR and 1H NMR spectral study. The molecular and electronic structures of H2L and its zinc complex were optimized theoretically and the quantum chemical parameters were calculated. The antimicrobial activity against a number of bacterial organisms as Streptococcus pneumonia, Bacillus Subtilis, Pseudomonas aeruginosa and Escherichia coli and fungi as Aspergillus fumigates, Syncephalastrum racemosum, Geotricum candidum and Candida albicans by disk diffusion method were screened for the Schiff base and its complexes. The Cd(II) complex has potent antimicrobial activity. Anticancer activity of the Schiff base ligand and its metal complexes were evaluated in human cancer (MCF‐7 cells viability). The Cr(III) complex exhibited higher activity than other complexes and ligand. Molecular docking was used to predict the binding between Schiff base ligand (H2L) and its Zn(II) complex and the receptors of RNA of amikacin antibiotic (4P20) and human‐DNA‐Topo I complex (1SC7). The docking study provided useful structural information for inhibition studies.

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“…These parameters are useful in order to support the suggestion structures. The mentioned quantum chemical parameters were calculated with the help of the following equations:

normalΔE = E_{LUMO} - E_{HOMO}

χ = \frac{- ((), E_{HOMO} + E_{LUMO})}{2}

η = \frac{E_{LUMO} - E_{HOMO}}{2}

σ = \frac{1}{η}

italicPi = - χ

S = \frac{1}{2 η}

ω = \frac{{italicPi}^{2}}{2 η}

Δ N_{\max} = - \frac{Pi}{η}

…”

Section: Resultsmentioning

confidence: 99%

Coordination compounds of some transition metal ions with new Schiff base ligand derived from dibenzoyl methane. Structural characterization, thermal behavior, molecular structure, antimicrobial, anticancer activity and molecular docking studies

Mahmoud

El-Sayed

2017

Applied Organom Chemis

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“…The calculated quantum chemical parameters are given in Table . Additional parameters such as ∆ E , absolute electronegativity, χ , chemical potentials, P i , absolute hardness, η , absolute softness, σ , global electrophilicity, ω , global softness, S , and additional electronic charge, ∆ N max , have been calculated according to the following equations :

normalΔ E = E_{LUMO} - E_{HOMO}

χ = \frac{- ((), E_{HOMO} + E_{LUMO})}{2}

η = \frac{E_{LUMO} - E_{HOMO}}{2}

σ = \frac{1}{η}

P_{i} = - χ

S = \frac{1}{2 η}

ω = \frac{P_{normali}^{2}}{2 η}

normalΔ N_{\max} = - \frac{P_{normali}}{η}

…”

Section: Resultsmentioning

confidence: 99%

Synthesis, characterization, spectroscopic and theoretical studies of transition metal complexes of new nano Schiff base derived from l‐histidine and 2‐acetylferrocene and evaluation of biological and anticancer activities

Mahmoud

Omar

Sayed

2018

Applied Organom Chemis

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A new Schiff base derived from the condensation of 2‐acetylferrocene with l‐histidine was prepared and characterized using elemental analyses and spectroscopic methods. Cr(III), Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) complexes of the Schiff base were prepared and characterized using various physicochemical methods such as elemental analysis, Fourier transform infrared and UV–visible spectroscopies, molar conductance, thermal analysis and scanning electron microscopy (SEM). Both ligand and complexes were investigated for their biological and anticancer activities. The elemental analyses showed that complexes were formed in a metal‐to‐ligand ratio of 1:1 stoichiometry. The spectral analyses proved that the ligand was tridentate and all complexes had an octahedral geometry, except the Zn(II) complex that was tetrahedral. SEM showed that the ligand and its Cd(II) complex were of nanometric structure. The molecular and electronic structure of the free ligand was optimized theoretically and the quantum chemical parameters were calculated. The molecular structure can be used to investigate the coordination sites and the total charge density around each atom. According to anticancer studies, Cd(II) complex was recommended to be used as anti‐breast cancer drug as it had very low IC50 (3.5 μg ml−1). Molecular docking was used to predict the binding between the free ligand and its Cd(II) complex and crystal structure of Staphylococcus aureus (PDB ID: 3Q8u), receptors of breast cancer mutant oxidoreductase (PDB ID: 3Hb5) and crystal structure of Escherichia coli (PDB ID: 3 T88) and to identify the binding mode and the crucial functional groups interacting with the three proteins.

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“…Azot içeren heterosiklik ligantlar yüksek aktivite göstermeleri nedeniyle koordinasyon kimyasında ilgi ile çalışılmaktadır. Bu çalışmada literatüre göre sentezlenen imidazolin (1) ve benzimidazol (2) ligantlarının [23,24] rutenyum öncüleriyle etkileştirilmesi sonucu elde edilen yeni rutenyum (II) kompleksleri sentezlendi ve 1 H ve 13 Azalan IC50 derişimi artan antioksidan aktiviteye işaret etmektedir. 4 numaralı bileşikte, DPPH ve hidroksil radikali için IC50 derişimi gözlenmediğinden, 3 numaralı bileşiğin daha yüksek antioksidan aktiviteye sahip olduğu saptandı.…”

Section: Sonuç Ve Tartişma (Results and Discussion)unclassified

“…1 ve 2 ligantları literatüre göre sentezlendi ve karakterize edildi [23,24]. DPPH yöntemi, DPPH'ın mor renkli metanolik çözeltisindeki rengin açılmasının ölçülmesine dayanır [25].…”

Section: N-sübstitüyeunclassified

Yeni Rutenyum-Azol Komplekslerinin Sentezi ve Antioksidan Özellikleri

Şahin¹,

Bölükbaşı²

2017

SAÜ Fen Bilimleri Enstitüsü Dergisi

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Bu çalışmada, iki yeni dikloro-(1-alkilimidazolin)-(p-simen)rutenyum(II), 3 ve dikloro-(1-alkilbenzimidazol)-(psimen)rutenyum(II), 4 kompleksi sentezlendi ve yapıları spektroskopik tekniklerle karakterize edildi. Bu yeni metal komplekslerin in vitro antioksidan aktiviteleri; 2,2-difenil-1-pikrilhidrazil (DPPH), hidroksil (• OH) ve süperoksit (O2-.) radikallerini inhibe etme özellikleri ile araştırıldı. Ayrıca her bir metal kompleksinin toplam antioksidan aktivitesi de saptandı. 3 Numaralı kompleksin DPPH, hidroksil ve süperoksit radikallerini süpürme aktivitelerinin ve toplam antioksidan aktivitesinin 4 numaralı kompleksten daha etkili olduğu bulundu.

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Structure, CO-releasing property, electrochemistry, DFT calculation, and antioxidant activity of benzimidazole derivative substituted [Mn(CO)3(bpy)L]PF6 type novel manganese complexes

Cited by 25 publications

References 61 publications

Coordination compounds of some transition metal ions with new Schiff base ligand derived from dibenzoyl methane. Structural characterization, thermal behavior, molecular structure, antimicrobial, anticancer activity and molecular docking studies

Coordination compounds of some transition metal ions with new Schiff base ligand derived from dibenzoyl methane. Structural characterization, thermal behavior, molecular structure, antimicrobial, anticancer activity and molecular docking studies

Synthesis, characterization, spectroscopic and theoretical studies of transition metal complexes of new nano Schiff base derived from l‐histidine and 2‐acetylferrocene and evaluation of biological and anticancer activities

Yeni Rutenyum-Azol Komplekslerinin Sentezi ve Antioksidan Özellikleri

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