Publications by authors named "E Shakerzadeh"
Tiopronin is a thiol-based medication recognized for its antioxidant properties, which may offer therapeutic benefits for various medical conditions. At present, it is utilized for the treatment of cystinuria and rheumatoid arthritis. However, its limited bioavailability poses a significant challenge for broader applications, necessitating high systemic doses to achieve localized therapeutic effects.
View Article and Find Full Text PDFThis study investigates the interaction of a synthetic bio-relevant molecule with C and BN nanorings, exploring their potential applications in sensing and drug delivery. Employing Density Functional Theory (DFT) at the ωB97XD level with the 6-31G(d,p) basis set, we computed the adsorption and electronic properties of the resulting nanocomplexes. A total of ten distinct configurations were identified for the interactions, with adsorption energies ranging from -6.
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- * It quantifies the strength of these interactions by calculating adsorption energies for different sizes of AuNCs, with values around -16 to -18 kcal/mol, indicating strong bonding.
- * The findings suggest potential applications for the epinephrine-gold nanocluster complexes in areas like biosensing and drug delivery, while also examining how these interactions change in aqueous environments.
The present communication deals with the adsorption of tyramine neurotransmitter over the surface of pristine, Boron (B) and Silicon (Si) doped fullerenes. Density functional theory (DFT) calculations have been used to investigate tyramine adsorption on the surface of fullerenes in terms of stability, shape, work function, electronic characteristics, and density of state spectra. The most favourable adsorption configurations for tyramine have been computed to have adsorption energies of - 1.
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- - The study examines how tyramine, a neurotransmitter, interacts with silver nanoparticles (AgNPs), focusing on the molecular structure and electronic properties of the resulting bio-molecular conjugate.
- - Researchers calculated the adsorption energy of tyramine on silver clusters, finding a favorable value of -14.36 kcal/mol, indicating strong binding.
- - The analysis also includes how factors like the environment, specifically aqueous media, affect the adsorption energy and electronic properties, highlighting potential uses for tyramine-AgNPs in bio-sensing, drug delivery, and imaging.