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Outline
Ab initio studies of fullerene effect on chemical properties of naphazoline drop
Authors
1Department of Chemistry, Faculty of Basic Sciences, Islamic Azad University, Yadegar Emam Khomeini Branch, Tehran, Iran., Iran
2Department of Chemistry, Faculty of Basic Sciences, Islamic Azad University, Yadegar Emam Khomeini Branch, Tehran, Iran., Andorra
*Corresponding Author: Corresponding author: Roya Ahmadi, Department of Chemistry, Faculty of Basic Sciences, Islamic Azad University, Yadegar Emam Khomeini Branch, Tehran, Iran., Iran Email: roya_ahmadi_chem@yahoo.com
Published online:Nov 27, 2013
Article type:Research Article
Received:Mar 13, 2013
Accepted:Oct 24, 2013
How to Cite:Ahmadi R, Pirahan-Foroush M. Ab initio studies of fullerene effect on chemical properties of naphazoline drop. Ann Mil Health Sci Res. 2014;12(2):e63452. doi:
Abstract
Materials and Methods: Naphazoline belongs to the imidazoline class of sympathomimetics. The present study on naphazoline drug and its fullerene connected form were carried out using computerized calculations of Gaussian program in b3lyp/6-31g level in water.
Results: Impact of fullerene on naphazoline was analyzed as changes in level of some properties including energetic levels, stability, high occupancy molecular orbital (HOMO), low unoccupancy molecular orbital (LUMO) levels, chemical hardness and electrophilicity properties. Results indicated that joint of medicine and C60 considerably decreases the energy level and the dipole
moment. Therefore, reacting ability of the medicine is increased but its solubility is decreased
in solution phase.
Conclusion: Combined fullerene structure with naphazoline, as a nano-carrier, enhances reacting ability of the medicine and its low solubility in the water phase of human body.
Highlights
References
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Copyright
© 2014, Annals of Military and Health Sciences Research. This open-access article is available under the Creative Commons Attribution-NonCommercial 4.0 (CC BY-NC 4.0) International License (https://creativecommons.org/licenses/by-nc/4.0/), which allows for the copying and redistribution of the material only for noncommercial purposes, provided that the original work is properly cited.
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