Computational modeling and molecular dynamics studies of methyl sulfonyl acetate derivatives as potent SmTGR inhibitors: insights into binding interactions DOI
Saudatu Chinade Ja’afaru,

Adamu Uzairu,

Vipin Mishra

et al.

Molecular Simulation, Journal Year: 2024, Volume and Issue: 50(15), P. 1274 - 1291

Published: Sept. 5, 2024

Language: Английский

Enhancing Zn (II) Recovery Efficiency: Bi-Divalent Nickel-Cobalt Ferrite Spinel NiXCo1-xFe2O4 as a Game-Changing Adsorbent—an Experimental and Computational Study DOI
Seyed Faridedin Rafie, Nidal Abu‐Zahra, Roozbeh Sabetvand

et al.

Chemosphere, Journal Year: 2024, Volume and Issue: 362, P. 142702 - 142702

Published: June 25, 2024

Language: Английский

Citations

10
Investigation of the Movement of Various Fullerene-Wheeled, Thermally Driven Nanocars Across Different Surfaces DOI Creative Commons
Mohammad Ali Bakhtiari,

Seyed Mohammad Ali Hosseinian,

Amir Shamloo

et al.

Results in Engineering, Journal Year: 2025, Volume and Issue: unknown, P. 104003 - 104003

Published: Jan. 1, 2025

Language: Английский

Citations

1
Efficient Removal of Chlorpyrifos from Water Using Acrylic Resin P(MA-SMA-St): Adsorption Behavior, Kinetics, Thermodynamics, Molecular Simulations, and DFT Calculations DOI
Wenxin Dai, Pan Luo, Bo Xu

et al.

Journal of environmental chemical engineering, Journal Year: 2025, Volume and Issue: unknown, P. 115924 - 115924

Published: Feb. 1, 2025

Language: Английский

Citations

1
From thin air to pure water: Enhancing atmospheric water harvesting with molecular dynamics simulations of pristine and porous zirconium-based MOF-801 DOI
Seyed Faridedin Rafie, Nidal Abu‐Zahra, Roozbeh Sabetvand

et al.

Journal of Molecular Liquids, Journal Year: 2025, Volume and Issue: 422, P. 126939 - 126939

Published: Jan. 16, 2025

Language: Английский

Citations

0
Zinc Acetate/Ionic Liquid Hybrid Catalysts for the Synthesis of Dimethyl Carbonate Through Urea Methanolysis: Kinetics, Molecular Dynamic Simulation, and Mechanism Clarification DOI
Ehsan Salehi,

Fakhrosadat Mirnezami,

Golara Nikravesh

et al.

Industrial & Engineering Chemistry Research, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 30, 2025

Language: Английский

Citations

0
Encapsulation of essential oil in cyclodextrin: An exploration of rational design, molecular interactions, and activity assessment DOI Creative Commons
Liangshan Ming,

Zijian Xiao,

Ziyun Nie

et al.

Industrial Crops and Products, Journal Year: 2025, Volume and Issue: 226, P. 120611 - 120611

Published: Jan. 31, 2025

Language: Английский

Citations

0
Adsorption of REEs: A Comprehensive Review on Spinel Ferrites and their Magnetic Composites as Highly Efficient Adsorbents DOI Creative Commons
Seyed Faridedin Rafie, Nidal Abu‐Zahra, Mika Sillanpää

et al.

Emerging contaminants, Journal Year: 2024, Volume and Issue: 11(1), P. 100429 - 100429

Published: Oct. 29, 2024

Language: Английский

Citations

3
Structural and mechanical properties of Cu-SiCp nanocomposites fabricated by accumulative roll bonding (ARB) DOI Creative Commons

Omid Ghaderi,

Mehran Zare,

Hamed Sadabadi

et al.

Frontiers in Materials, Journal Year: 2024, Volume and Issue: 11

Published: July 2, 2024

In this study, the accumulative roll bonding (ARB) method, a severe plastic deformation (SPD) process, was used to fabricate copper-2 wt% silicon carbide composite strips. The ARB process successfully conducted for up nine cycles on pure copper strips with particles distributed between them, as well monolithic copper. Equiaxed tensile and Vickers hardness tests were evaluate mechanical properties of samples. SEM utilized study fracture surfaces determine mechanism processed samples after test. Texture parameters calculated through X-ray analysis. Rietveld method using MAUD software employed assess crystallite size Results indicated that average amount porosity decreased interface strip layers improved increasing number cycles. Moreover, an increased led homogeneous distribution SiC within matrix. strength fabricated composites increase in cycles, ultimately reaching 483 MPa compared 388 single cycle 194 annealed Initially, elongation dramatically about 6% applying five from 46% observed strip. However, it continued, 8.9% ninth cycle. Investigation test revealed dominant failure mode shear ductile fracture. Analysis sample textures demonstrated texture (100). Crystallite sizes cycles-rolled composites, determined by Reitveld reached 111 nm 89 nm, respectively.

Language: Английский

Citations

1
Computational modeling and molecular dynamics studies of methyl sulfonyl acetate derivatives as potent SmTGR inhibitors: insights into binding interactions DOI
Saudatu Chinade Ja’afaru,

Adamu Uzairu,

Vipin Mishra

et al.

Molecular Simulation, Journal Year: 2024, Volume and Issue: 50(15), P. 1274 - 1291

Published: Sept. 5, 2024

Language: Английский

Citations

0