DFT and QSAR studies of PTFE/ZnO/SiO2 nanocomposite

HA Ezzat, MA Hegazy, R Ghoneim, HY Zahran… - Scientific Reports, 2023 - nature.com
Polytetrafluoroethylene (PTFE) is one of the most significant fluoropolymers, and one of the
most recent initiatives is to increase its performance by using metal oxides (MOs) …

Develo** innovative PVA@ TiO2-based adsorbents for CO2 capture via multiple metal oxide dopants for sustainable development

MA Shahat, AK Aladim, MA Sebak, HA Ezzat - Inorganic Chemistry …, 2025 - Elsevier
Capturing carbon dioxide (CO 2) is an essential tactic in the battle against global warming.
Through the use of this advanced technology, CO 2 emissions from multiple sources will be …

An in vitro/in vivo release test of risedronate drug loaded nano-bioactive glass composite scaffolds

AA Mostafa, AA Mahmoud, MAA Hamid… - International Journal of …, 2021 - Elsevier
Abstract Three-dimensional (3D) matrices scaffolds play a noteworthy role in promoting cell
generation and propagation. In this study, scaffolds prepared from chitosan/polyvinyl alcohol …

[PDF][PDF] Computational notes on the effect of (Li-Na-K) on calcium zinc phosphate oxide glasses

MA Ibrahim, HA Ezzat, F Meng… - Biointerface …, 2020 - biointerfaceresearch.com
A model molecule for P4O10-ZnO-CaO is constructed to build Calcium Zinc Phosphate
Oxide glasses. Then the effect of alkalis Li; Na and K upon the model molecule is studied …

Effect of solvents and radiation on the physical properties of polyvinyl chloride

YH Elshaer, D Atta, MAM El-Mansy, MA Hegazy… - Sensor …, 2018 - ingentaconnect.com
Quantum mechanical calculations at density functional theory DFT level: B3LYP/6-31G (d, p)
was used to study Polyvinyl Chloride, PVC. The effect of solvents upon PVC was …