Removal of caffeine from aqueous and vacuum environments using Si12C12, Si11GeC12, Si11BC12 fullerenes: A DFT and TDDFT studies
WA Mahdi, AJ Obaidullah - Journal of Molecular Liquids, 2024 - Elsevier
Caffeine (CFI) adsorption upon the perfect, boron-doped (Si 11 BC 12 and Si 12 BC 11), and
germanium-doped (Si 11 GeC 12 and Si 12 GeC 11) silicon carbide (SiC) fullerenes have …
germanium-doped (Si 11 GeC 12 and Si 12 GeC 11) silicon carbide (SiC) fullerenes have …
Investigation of transition metals (Ag, Au, Pd, Pt and Ru)-doped boron nitride nanocarrier for drug delivery process of favipiravir: An intuition from DFT
MA Matin, M Alauddin, MM Islam - Journal of Molecular Liquids, 2024 - Elsevier
The scientific community is keenly interested in developing efficient drug delivery systems
using B 12 N 12, particularly for carrying anti-influenza drugs like Favipiravir (FAV) against …
using B 12 N 12, particularly for carrying anti-influenza drugs like Favipiravir (FAV) against …
DFT Analysis of Dynamic, Charge, and TD-DFT Properties of Doped, Encapsulated, and Decorated First-Row Transition Metals on B12N12 Nanocage: Part 2
Due to its distinctive properties and semiconducting characteristics, B12N12 has been the
subject of many studies in the field of nanoscience, as it is a promising material for various …
subject of many studies in the field of nanoscience, as it is a promising material for various …
Exploring the interaction of Cu-modified B12N12 nanocages for Favipiravir drug delivery using density functional theory study
Drug delivery has become a pivotal strategy in medical research, aiming for precise delivery
near cells while minimizing unwanted effects. In this study, we have used density functional …
near cells while minimizing unwanted effects. In this study, we have used density functional …
Anti-inflammatory and anticancer activities of boron nitride nanotubes functionalized with curcumin: Density functional theory and molecular docking studies
Boron nitride (BN) nanotubes have emerged as promising carrier options for drug delivery
systems. This study investigates the loading of curcumin (CUR) in various states onto the …
systems. This study investigates the loading of curcumin (CUR) in various states onto the …