The adsorbtion of drug anti cancer melphalane on surface boron nitride nanotubes: a DFT study - Núm. Special Issue 2, Junio 2018 - Quid. Investigación, Ciencia y Tecnología - Libros y Revistas - VLEX 744662409

The adsorbtion of drug anti cancer melphalane on surface boron nitride nanotubes: a DFT study

Autorabolghasem shameli
CargoIslamic Azad University, Department of Chemistry, Pharmaceutical Sciences Branch, Tehran, Iran, shameli678@gmail.com - Islamic Azad University, Department of Chemistry, Faculty of Sciences, Omidiyeh Branch - Islamic Azad University, Department of Chemistry, Pharmaceutical Sciences Branch, Tehran, Iran - Islamic Azad University, Department of ...
Páginas92-98
QUID 2018, pp. 92-98, Special Issue N°2, ISSN: 1692-343X, Medellín-Colombia
Recibido el 29-05-2018. Aprobado el 30-07-2018)
Abstract. In o rder to search for the interaction between Melphalane and nanotbe boron nitride is investigated
using density functional theory (DFT). The structures of individual counterparts and hybrids have been optimized
and the molecular properties have b een evaluated. The Density of States (DOS) Plots, nuclear quadrupole
resonance (NQR) analysisand nuclear magnetic resonance spectroscopy (NMR) are witness to the substantial
changes in the electronic properties of pristine Nanotubes boron nitride systems following the attachment o f the
melphalane with the nanotubes surface.
Keywords. Boron Nitride, Adsorption, Melphalane, Nuclear Quadrupole Resonance, Densit y Functional Theory.
Citar, estilo APA: Foroutani, S., Shameli, A., Balali, E. & Mehrafza, S. (2018). The adsorbtion of drug anti-cancer melphalane on surface boron nitride
nanotubes: A DFT study. Revista QUID (Special Issue), 92-98.
THE ADSORBTION OF DRUG ANTI CANCER MELPHALANE ON SURFACE BORON NITRIDE
NANOTUBES: A DFT STUDY
Samaneh Foroutani
Islamic Azad
University,
Department of
Chemistry,
Phar maceutica l Sciences
Branch, Tehra n, Iran,
shameli678@gmail.com
Abolghasem Shameli
Islamic Azad
University,
Department of
Chemistry, Faculty of
Sciences, Omidiyeh
Branch
Ebrahim Balali
Islamic Azad University,
Department of Chemistry,
Phar maceutica l Sciences
Branch, Tehra n, Iran
Shafagh Mehrafza

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