A5089779996- Nonlinear Optical Materials Research
- Fullerene Chemistry and Applications
- Boron and Carbon Nanomaterials Research
- Molecular spectroscopy and chirality
- Carbon Nanotubes in Composites
- Crystallography and molecular interactions
- Structural and Chemical Analysis of Organic and Inorganic Compounds
- Graphene research and applications
- Clay minerals and soil interactions
- Synthesis and biological activity
- Inorganic and Organometallic Chemistry
- Soil and Unsaturated Flow
- Iron oxide chemistry and applications
- Synthesis and Characterization of Heterocyclic Compounds
- Free Radicals and Antioxidants
- Metal complexes synthesis and properties
- Energetic Materials and Combustion
- Solid-state spectroscopy and crystallography
- Advanced NMR Techniques and Applications
- Polymer Nanocomposite Synthesis and Irradiation
- Computational Drug Discovery Methods
- Electron Spin Resonance Studies
- Advanced Chemical Physics Studies
- Magnetism in coordination complexes
- Chemical Reaction Mechanisms
Eskisehir Technical University
2018-2024
Anadolu University
2009-2018
Eskişehir City Hospital
2009-2018
Abstract Fullerenes have received attentions due to their versatile properties. Molecular structures and electronic properties namely binding energy, band gap, electrophilicity index molecular topological analysis were studied for undoped silicon doped C 20 fullerenes favipiravir in order search possible application of the systems as drug delivery vehicles. Density functional theory (DFT) quantum atoms molecules (QTAIM) used research. having interaction edges SiC 19 … OH water …C=O gas phase...
Due to its advantages over experimental works, density functional theory as a computational approach provides many insights before going the expensive and timely costs of studies. However, time required perform study depends on number atoms or size investigated molecular system capacity sources. In framework this study, we have different optimization procedures see effect energy, electronic parameters some important structural by using modified fullerene-C20. The question that was tried be...
Adsorption and interaction mechanisms of fullerene-based complex systems for possible drug delivery vehicles have been at the center increasing attention. In scope this work, mechanism between an important antiviral favipiravir silicon-doped/undoped C60 fullerenes investigated using density functional theory (DFT). Calculations were carried out in both gas phase water media to see solvent effects. The effect adsorption on SiC59 fullerene system nature examined by analyzing band shifts...
One of the approaches adopted, as first treatment method, in previous pandemic viruses before production new vaccines or drugs, is to evaluate effectiveness existing drugs. Sometimes, it known that combination drugs provides better by increasing activity due mutual interactions. In this work, we used quantum theory atoms molecules and density functional examine structure relationship between Favipiravir (FPV), a potential antiviral drug for ribonucleic acid viruses, an inhibitor influenza...
A large number of drugs are introduced each year to treat different diseases. Most the time, patients suffer from more than one health problem which makes it necessary take multiple drugs. When combined, drug–drug interaction becomes relevant. In this work, we studied between escitalopram and ibuprofen or paracetamol using density functional theory quantum atoms in molecules. The results suggest that following interactions, activity changes according site interaction. reactive most stable...