Drug delivery via super-paramagnetic (N2)n[SiO2(OH)2]8 Core-Shell catalyst

  • Somayeh Khosravi Universidad del Zulia
  • Majid Monajjemi Department of Chemical Engineering, Central Tehran Branch, Islamic Azad University


The MNPs @ [SiO2(OH)2]8 catalyzers were stablished via ab-initio and quantum mechanics & Molecular mechanic (QM/MM) simulation. The studies focus on how to improve the dispersion of composite particle for achieving high magnetic performances. The results revealed that the Fe3O4 @[SiO2 (OH)2]8(N2)8 as a cabalist exhibited better thermodynamic stability and dispersion than the magnetite nanoparticles. Furthermore, the particle size and magnetic properties of the [SiO2 (OH)2]8(N2)8 composite nanoparticles can be controlled by changing the functional groups. The electrical properties such as NMR Shielding, electron densities, energy densities, potential energy densities, ELF, LOL, of electron density, eta index, ECP, ESR and hyperfine interactions for Fe3O4@ [SiO2(OH)2]8(N2)8 have been calculated. As the catalyst could be easily recovered by magnetic separation and recycled for a few times without significant loss of its catalytic activity, we have calculated to obtain the stronger non bonded interaction in the Fe3O4@ [SiO2(OH)2]8(N2)8 system. This system can be used for antibiotics drug delivery instead of injection. The chemical shielding and several factors as the same electronegativity, magnetic anisotropy of π-systems will be changed due to the number of electrons The chemical shielding is a vector orientation function for all of the shielding parameters that can change in several places inside the shielding region.


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Biografía del autor/a

Somayeh Khosravi, Universidad del Zulia
Profesor de la Universidad del Zulia
Majid Monajjemi, Department of Chemical Engineering, Central Tehran Branch, Islamic Azad University
Professor of Department of Chemical Engineering, Central Tehran Branch, Islamic Azad University


Bourgeois, L., Bando, Y., Han, W.Q., Sato, T. (2000). Structure of boron nitride nanoscale cones: Ordered stacking of 240° and 300° disclinations Phys. Rev. B, (61), 7686.

Deng, Y.; Cai, Y.; Sun, Z.; Liu, J.; Liu, C.; Wei, J.; Li, W.; Liu, C.; Wang, Y.; Zhao, D.; (2010). Multifunctional Mesoporous Composite Microspheres with Well-Designed Nanostructure : A Highly Integrated Catalyst System, J. AM. CHEM. SOC., 132, 8466–8473.

Farhami, N., Monajjemi, M., Zare, K. (2017). Non Bonded Interactions in cylindrical capacitor of (m, n) @ (m', n') @ (m",n") Three Walled Nano Carbon Nanotubes. Oriental Journal of Chemistry (33), 3024- 3030, http://dx.doi.org/10.13005 /ojc/ 330640

Frackowiak, E., Béguin, F. (2002). Electrochemical storage of energy in carbon nanotubes. Carbon, (40), 1775-1787, https://doi.org/10.1016/S0008-223(02)00045-3

Iijima Sumio (1991). Synthesis of Carbon Nanotubes. Nature, (354), 56-58.

Lee, V.S., Nimmanpipug, P.,Mollaamin, F., Kungwan, N., Thanasanvorakun, S., Monajjemi, M.(2009). Investigation of single wall carbon nanotubes electrical properties and mode analysis: Dielectric effects. Russian journal of physical chemistry A (83), 2288-2296, https://doi.org/10.1134/S0036024409130184.

Lu, T., Chen, F. (2012). Multiwfn: A Multifunctional Wavefunction Analyzer. J. Comp. Chem., 33, 580-592, https://doi.org/10.1002/jcc.22885.

Madani, M.S., Monajjemi, M., Aghaei, H. (2017), The Double Wall Boron Nitride Nanotube: Nano-Cylindrical Capacitor, Oriental Journal of Chemistry, (33), 1213-

, http://dx.doi.org/10.13005/ojc/330320.

Monajjemi, M., Chegini, H., Mollaamin, F., Farahani, P. (2011). Theoretical Studies of Solvent Effect on Normal Mode Analysis and Thermodynamic Properties of Zigzag (5,0) carbon nanotube. Fullerens Nanotubes carbon and nanostructures (19),

-482, https://doi.org/10.1080/1536383X.2010.494783

Cómo citar
Khosravi, S., & Monajjemi, M. (2020). Drug delivery via super-paramagnetic (N2)n[SiO2(OH)2]8 Core-Shell catalyst. Revista De La Universidad Del Zulia, 11(30), 364-381. https://doi.org/10.46925//rdluz.30.23