Catalyzed syntheses of novel series of spiro thiazolidinone derivatives with nano Fe2O3: spectroscopic, X-ray, Hirshfeld surface, DFT, biological and docking evaluations DOI Creative Commons
Eslam M. Abbass,

Ali El‐Rayyes,

Ali Khalil Ali

et al.

Scientific Reports, Journal Year: 2024, Volume and Issue: 14(1)

Published: Aug. 13, 2024

Twelve spiro thiazolidinone compounds (A–L) were synthesized via either conventional thermal or ultrasonication techniques using Fe2O3 nanoparticles. The modification of the traditional procedure by nanoparticles led to enhancement yield desired candidates 78–93% in approximately half reaction time compared with 58–79% without catalyst. products fully characterized different analytical and spectroscopic techniques. structure two derivatives 4-phenyl-1-thia-4-azaspirodecan-3-one (A) 4-(p-tolyl)-1-thia-4-azaspirodecan-3-one (B) also determined single crystal X-ray diffraction Hirshfeld surface analysis. (A B) crystallized orthorhombic system Pbca P212121 space groups, respectively. In addition, packing revealed formation supramolecular array a net intermolecular hydrogen bonding interactions. energy optimized geometries some selected performed density functional theory (DFT/B3LYP). reactivity descriptors calculated correlated their biological properties. All reported screened for antimicrobial inhibitions. derivatives, F J, exhibited highest levels bacterial inhibition an zone 10–17 mm. Also, displayed most potent fungal 15–23 Molecular docking investigations B-DNA (PDB: 1BNA) as macromolecular target. Structure activity relationship data activities computed parameters.

Language: Английский

Organic Peroxides in Transition-Metal-Free Cyclization and Coupling Reactions (C–C) via Oxidative Transformation DOI Creative Commons
Amin Rezaeifard, Fatemeh Doraghi, Fatemeh Akbari

et al.

ACS Omega, Journal Year: 2025, Volume and Issue: unknown

Published: April 14, 2025

Transition-metal-free transformations are recognized as green and sustainable methods for constructing carbon-carbon bonds in organic synthesis. This review describes the application of six peroxides, including tert-butyl hydroperoxide (TBHP), di-tert-butyl peroxide (DTBP), peroxybenzoate (TBPB), benzoyl (BPO), dialauroyl (DLP), diguyl (DCP), C-C bond construction, highlighting selected examples mechanisms challenging transformations. Each section concludes with a detailed overview suitable reagents various coupling reactions strengths weaknesses reported works. work aims to inspire further innovations transition-metal-free oxidative transformations, promoting eco-friendly chemical processes paving way new peroxide-based synthesis methods.

Language: Английский

Citations

0
Bentonite Supported NiTiO3 Composite as Heterogeneous Catalyst for Synthesis 2,4-Disubstituted Benzo[4,5]imidazo[1,2-a]pyrimidine DOI

Periasamy Vinoth Kumar,

Selvaraj Mohana Roopan, Gunabalan Madhumitha

et al.

Catalysis Letters, Journal Year: 2025, Volume and Issue: 155(5)

Published: April 17, 2025

Language: Английский

Citations

0
Biomass-derived zirconium composite: An adsorbent for preferential removal of heavy metals and contaminants in wastewater DOI

Baldev,

Gourav Kumar, Venu Sharma

et al.

Journal of Water Process Engineering, Journal Year: 2024, Volume and Issue: 69, P. 106778 - 106778

Published: Dec. 14, 2024

Language: Английский

Citations

2
Catalyzed syntheses of novel series of spiro thiazolidinone derivatives with nano Fe2O3: spectroscopic, X-ray, Hirshfeld surface, DFT, biological and docking evaluations DOI Creative Commons
Eslam M. Abbass,

Ali El‐Rayyes,

Ali Khalil Ali

et al.

Scientific Reports, Journal Year: 2024, Volume and Issue: 14(1)

Published: Aug. 13, 2024

Twelve spiro thiazolidinone compounds (A–L) were synthesized via either conventional thermal or ultrasonication techniques using Fe2O3 nanoparticles. The modification of the traditional procedure by nanoparticles led to enhancement yield desired candidates 78–93% in approximately half reaction time compared with 58–79% without catalyst. products fully characterized different analytical and spectroscopic techniques. structure two derivatives 4-phenyl-1-thia-4-azaspirodecan-3-one (A) 4-(p-tolyl)-1-thia-4-azaspirodecan-3-one (B) also determined single crystal X-ray diffraction Hirshfeld surface analysis. (A B) crystallized orthorhombic system Pbca P212121 space groups, respectively. In addition, packing revealed formation supramolecular array a net intermolecular hydrogen bonding interactions. energy optimized geometries some selected performed density functional theory (DFT/B3LYP). reactivity descriptors calculated correlated their biological properties. All reported screened for antimicrobial inhibitions. derivatives, F J, exhibited highest levels bacterial inhibition an zone 10–17 mm. Also, displayed most potent fungal 15–23 Molecular docking investigations B-DNA (PDB: 1BNA) as macromolecular target. Structure activity relationship data activities computed parameters.

Language: Английский

Citations

1