Five‐ or six‐membered aluminum metallocyclic complexes containing N, N bidentate oxazolinyl‐indolate chelate ring: Synthesis, structural, and catalytic studies DOI

H. L. Chung,

Cian‐Fu Li,

Ming‐Tsz Chen

et al.

Applied Organometallic Chemistry, Journal Year: 2024, Volume and Issue: 38(11)

Published: Aug. 5, 2024

Treatment of two classes oxazolinyl‐indolate ligand precursors with an equivalent trimethylaluminum reagent afforded four corresponding aluminum dimethyl complexes. Intramolecular functional groups were employed to switch coordination behaviors, resulting in the formation five‐ or six‐membered metallocyclic The screening prepared complexes, mediated by 9‐anthracenemethanol as initiating ring‐opening polymerization ε‐caprolactone, showed significant activities at room temperature. compound ligated 2‐(1 H ‐indol‐2‐yl)‐4,4‐dimethyl‐4,5‐dihydrooxazole possessed a suitable chelated ring size, and its intrinsic electronic properties maintained higher activity.

Language: Английский

A piperazine- modified Schiff base sensor for highly selective detection of Zr (IV) ions: unveiling its antioxidant potential and regulatory effects on Zea mays growth DOI
Gurjaspreet Singh,

Sumesh Khurana,

Pawan

et al.

International Journal of Biological Macromolecules, Journal Year: 2024, Volume and Issue: 261, P. 129689 - 129689

Published: Jan. 23, 2024

Language: Английский

Citations

11

Synthesis and Characterization of a New Neodymium Complex: DFT Insights and Potential Anticancer Applications DOI Open Access
Basma A.A. Balboul, Rania H. Taha,

Alaa Muqbil Alsirhani

et al.

Applied Organometallic Chemistry, Journal Year: 2025, Volume and Issue: 39(3)

Published: Feb. 18, 2025

ABSTRACT A new complex of type [Nd (HL) (NO 3 ) 2 ] has been synthesized with a Schiff base ligand H L derived from 2‐hydroxy‐3‐methoxybenzaldehyde and L‐histidine. The structure the was established using elemental analysis, molar conductivities, FT‐IR, 1 HNMR, SEM, x‐ray diffraction (XRD) spectroscopy. FT‐IR data revealed that acts as tetradentate through carboxylic acid, azomethine nitrogen, methoxy oxygen, hydroxyl groups. Based on electronic spectra, an octahedral configuration hypothesized for complex. TGA method employed to study thermal behavior its complex, thermodynamic parameters were determined Coats–Redfern equations. XRD analysis compounds possess nanoscale dimensions, their crystallinity significantly enhanced by coordination Nd(III) ion L. DFT calculations performed optimize geometry proposed structures, indicating improved stabilities. reduced HOMO–LUMO gap in further highlights remarkable conductive properties. surface morphology analyzed SEM investigate structural characteristics. images reveal variety particle shapes, including elongated, prismatic, irregular blocky particles sharp edges, suggesting crystalline nature. evaluated anticancer activity against prostate carcinoma, breast lung carcinoma cell lines. inhibition rate 92.81%, 93.25%, 94.58%, respectively. results demonstrated exhibited compared alone, likely due These findings suggest holds promise potent agent.

Language: Английский

Citations

1

Design, synthesis, pharmacological evaluation, and in silico studies of the activity of novel spiro pyrrolo[3,4-d]pyrimidine derivatives DOI Creative Commons
Abdullah Yahya Abdullah Alzahrani, Wesam S. Shehab,

Asmaa H. Amer

et al.

RSC Advances, Journal Year: 2024, Volume and Issue: 14(2), P. 995 - 1008

Published: Jan. 1, 2024

In the present study, spiro compounds are shown to have distinctive characteristics because of their interesting conformations and structural impacts on biological systems.

Language: Английский

Citations

6

Synthesis, spectral analysis, XRD, molecular docking simulation of dithranol and glycine mixed ligand complexes and their potential role in suppressing breast cancer cells via down‐regulating the expression of protein metalloproteinase‐9 DOI
Sherif M. Abd El‐Hamid,

Safa W. Aziz,

Sadeek A. Sadeek

et al.

Applied Organometallic Chemistry, Journal Year: 2024, Volume and Issue: 38(11)

Published: July 29, 2024

Five novel complexes of nickel (II)( 1 ), zinc 2 zirconium (IV)( 3 lanthanum (III)( 4 thorium 5 with the dithranol ( Dithr ) ligand and glycine Gly were synthesized characterized. Their structures investigated using elemental analysis, molar conductance (Λ), magnetic studies μ eff spectroscopic methods (FT‐IR, UV–Vis., H NMR, XRD), mass spectrometry, TG/DTG DTA. Findings revealed that was chelated via two hydroxyl oxygen atoms carbonyl group while, through carboxylic nitrogen atom. All appeared ratio 1:1:1 M : electrolytes 1:1 for complexes, 1:2 complex, 1:3 complex according to analysis conductivity data. metal‐chelates, except Th (IV)‐complex, confirmed have lattice water molecules based on their thermal behavior. Average crystalline size all compounds calculated XRD found in range 35.50–55.57 nm, indicating existed as nanocrystalline structure, (IV) complex. Then, we studied cytotoxic effects our synthetic drugs survival an aggressive‐breast‐cancer‐histotype“66cl‐4.” Given its involvement cancer‐metastasis, matrix‐metalloproteinase‐(MMP)‐9 protein expression evaluated western‐blotting‐assays. Th(IV)‐complex emerged most effective option inhibiting cancer‐cells‐proliferation (IC 50 9.39 μM), suppressed MMP‐9 levels by 86%, at 25 μM dose, drug‐binding‐affinity interpreted molecular modeling.

Language: Английский

Citations

5

Urease inhibition and molecular docking studies on transition metal complexes of ligands derived from barbituric and thiobarbituric acids DOI
Syed Raza Shah, Majid Khan, Sobia Ahsan Halim

et al.

Applied Organometallic Chemistry, Journal Year: 2024, Volume and Issue: 38(6)

Published: April 18, 2024

In this paper, we have examined eight new first‐row transition metal complexes ( 1 – 8 ). Mutli‐donor ligands based on barbituric and thiobarbituric acids were used in complexation reactions. The synthesized analyzed using FT‐IR UV–vis spectroscopy, elemental (CHN) analysis, single‐crystal X‐ray diffraction analysis. These exhibited significant urease enzyme inhibition with IC 50 values the range of 13.73 ± 1.08–43.21 1.50 μM. We observed excellent binding orientation these active site Urease. molecular docking results correlate well vitro observations.

Language: Английский

Citations

4

Structural Characterization, XRD, DFT Calculations, Docking, Antimicrobial, Anticancer Applications, and Electrochemical Performance Studies of Some New Schiff Base Transition Metal Complexes DOI Open Access
Leila M. Abbass,

Nashwa M. Yousif,

Sadeek A. Sadeek

et al.

Applied Organometallic Chemistry, Journal Year: 2025, Volume and Issue: 39(4)

Published: March 4, 2025

ABSTRACT The condensation of 3‐amino‐1H‐1,2,4‐triazole with 2‐benzoyl benzoic acid produced a novel Schiff base ligand (H 2 L). structure synthesized H L and its metal complexes [Co(II), Ni(II), Cu(II), Zr(IV)] were characterized by mass spectrometry, FT‐IR, 1 NMR, XRD, UV‐vis, ESR, TG‐DTG analyses also, supported computational approaches. FT‐IR spectral data showed that acts in tridentate mode through azomethine nitrogen, the nitrogen triazole, carboxylate group oxygen. XRD results indicated compounds polycrystalline monoclinic systems for L, Co(II), Cu(II) but orthorhombic Zr(IV) Ni(II) complexes. Coats–Redfern Horowitz–Metzger equations utilized. optical characteristics evaluated. From DFT, Δ E values our varied from 0.033 eV more reactive Co(II) complex to 0.109 less Zr(IV)complex compared (0.113 eV). Also, σ values, considered soft L. band gap ( g ) those DFT found be equivalent. metallic assessed their antibacterial activity as well antifungal activity. exhibited significant antimicrobial efficacy. evaluated cytotoxic against ATB‐37 colon cancer cell line. Notably, effects than other compounds. subjected molecular docking into TRK (PDB: 1t46), DHFR 2W9H), PaaABC 4IIT), NatB 5K04) predict or help interpretation cytotoxicity potential. electrochemical behavior complex–modified electrodes was cyclic voltammetry (CV), galvanostatic charge–discharge (GCD), impedance spectroscopy (EIS) measurements, all performed 6‐M KOH electrolyte. have much higher capacitance modified electrodes.

Language: Английский

Citations

0

An insight into in silico strategies used for exploration of medicinal utilty and toxicology of Nanomaterials DOI
Tahmeena Khan

Computational Biology and Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 108435 - 108435

Published: March 1, 2025

Language: Английский

Citations

0

Exploring the anti-colon cancer potential of febuxostat-based mixed metal complexes with 2,2′-bipyridine: MTT assay, toxicity evaluation, prediction profiles, and computational studies DOI
Leila M. Abbass, Mustapha Belaidi, Saleh M. Bufarwa

et al.

Inorganic Chemistry Communications, Journal Year: 2025, Volume and Issue: unknown, P. 114460 - 114460

Published: April 1, 2025

Language: Английский

Citations

0

Design and synthesis of a dual-DOPO-based flame retardant: performance evaluation and mechanistic study in waterborne polyurethane systems DOI

Yanbo Ding,

Libo Sun, Jiale Qu

et al.

Progress in Organic Coatings, Journal Year: 2025, Volume and Issue: 205, P. 109330 - 109330

Published: April 22, 2025

Language: Английский

Citations

0

Sonochemical Synthesis, Structural Elucidation, and Photocatalytic Efficiency of Ag(I) and Ni(Ii) Schiff Base Complexes in the Degradation of Methylene Blue Dye Under Visible Light DOI

Aml M. Saleh,

Amal G. Mahdy,

Leila M. Abbass

et al.

Published: Jan. 1, 2025

Language: Английский

Citations

0