Cover image of the article: Ab initio studies of fullerene effect on chemical properties of naphazoline drop

Image Credit:Ann Mil Health Sci Res

Ab initio studies of fullerene effect on chemical properties of naphazoline drop

Authors

Roya Ahmadi1,*, Mandana Pirahan-Foroush2
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

Annals of Military and Health Sciences Research:Vol. 12, issue 2; e63452
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

Fulltext

Full text is available in PDF.

References

  • 1.
    references is available in PDF.

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.

Similar Articles

22
Jan
2014
Fullerene effect on chemical properties of antihypertensive clonidine in water phase

Fullerene effect on chemical properties of antihypertensive clonidine in water phase

Roya Ahmadi,
Mandana Pirahan-Foroush

Ahmadi R, Pirahan-Foroush M. Fullerene effect on chemical properties of antihypertensive clonidine in water phase. Ann Mil Health Sci Res. 2014;12(1):e63660. doi:

21
Mar
2024
Evaluation and Comparison of Fullerene (C60) Aqueous Suspension Administration Effects with Memantine HCL in Rat Model of Alzheimer’s Disease Considering Behavioral Patterns and Spatial Memory

Evaluation and Comparison of Fullerene (C60) Aqueous Suspension Administration Effects with Memantine HCL in Rat Model of Alzheimer’s Disease Considering Behavioral Patterns and Spatial Memory

Sina Andalib,
Mehrnoosh Nikpour,
Mehrdad Hamidi,
Rafi Javadi,
Hamed Mohammadpour

Andalib S, Nikpour M, Hamidi M, Javadi R, Mohammadpour H. Evaluation and Comparison of Fullerene (C60) Aqueous Suspension Administration Effects with Memantine HCL in Rat Model of Alzheimer’s Disease Considering Behavioral Patterns and Spatial Memory. J Microbiota. 2024;1(1):e143061. doi: https://doi.org/10.5812/jmb-143061

30
Apr
2022
Studying the Adsorption of Penicillin (G) Antibiotic on the Surface of Carbon Nanotubes by Molecular Docking

Studying the Adsorption of Penicillin (G) Antibiotic on the Surface of Carbon Nanotubes by Molecular Docking

Mandana Pirahanforoosh,
Roya Ahmadi,
Mohammad Yousefi

Pirahanforoosh M, Ahmadi R, Yousefi M. Studying the Adsorption of Penicillin (G) Antibiotic on the Surface of Carbon Nanotubes by Molecular Docking. Ann Mil Health Sci Res. 2022;20(1):e116280. doi: https://doi.org/10.5812/amh-116280

31
Jan
2017
QSAR Studying of Oxidation Behavior of Benzoxazines as an Important Pharmaceutical Property

QSAR Studying of Oxidation Behavior of Benzoxazines as an Important Pharmaceutical Property

Elham Baher,
Naser Darzi

Baher E, Darzi N. QSAR Studying of Oxidation Behavior of Benzoxazines as an Important Pharmaceutical Property. Iran J Pharm Res. 2017;16(1):e124908. doi: https://doi.org/10.22037/ijpr.2017.2015

29
Jun
2022

Synthesis and Antihistaminic Potential of Some Novel Substituted Dinitrophenothiazine Derivatives

Dheeraj Bisht,
Anita Singh,
Ashok Sharma,
Versha Parcha

Bisht D, Singh A, Sharma A, Parcha V. Synthesis and Antihistaminic Potential of Some Novel Substituted Dinitrophenothiazine Derivatives. J Rep Pharm Sci. 2022;11(1):e146230. doi: https://doi.org/10.4103/jrptps.JRPTPS_72_21

More by these authors

Roya AhmadiPubMedScholar
Mandana Pirahan-ForoushPubMedScholar
Share
Cited by
Metrics