Publications by authors named "Nesreen El-Shamy"
Article Synopsis
- The study analyzes the magnetothermal characteristics and magnetocaloric effects of YFe and HoFe compounds through a two-sublattice mean field model and DFT calculations using WIEN2k, focusing on their temperature and magnetic field dependencies.
- Key findings include calculated values for bulk and shear moduli, with YFe having 99.3 GPa and 101.2 GPa respectively, a Debye temperature of around 500 K, and significant magnetocaloric effects where YFe produces a change in entropy (∆S) of approximately 0.8 J/mol·K at 30 kOe.
- The research indicates that the phase transition from ferromagnetic or ferrimag
Heterocyclic compounds, including pyrimidine derivatives, exhibit a broad variety of biological and pharmacological activities. In this paper, a previously synthesized novel pyrimidine molecule is proposed, and its pharmaceutical properties are investigated. Computational techniques such as the density functional theory, ADMET evaluation, and molecular docking were applied to elucidate the chemical nature, drug likeness and antibacterial function of molecule.
View Article and Find Full Text PDF