INVESTIGATION OF INTERACTIONS OF BENZENE MOLECULE AND SODIUM IONS WITH MODELED CARBON NANOTUBES AS DRUG DELIVERS

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KARIMI P.; EBRAHIMI A.

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Journal: Journal of Applied Research in Chemistry Year:2016 | Volume:10 | Issue:1 Page(s): 73-82

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Title

INVESTIGATION OF INTERACTIONS OF BENZENE MOLECULE AND SODIUM IONS WITH MODELED CARBON NANOTUBES AS DRUG DELIVERS

Author(s)

KARIMI P. | EBRAHIMI A. | Issue Writer Certificate

Keywords

GRAPHENEQ1

CARBON NANOTUBEQ2

BENZENEQ2

π-π INTERACTIONQ2

CATION-π INTERACTIONQ2

Abstract

In this study, a GRAPHENE sheet (C102H30) has curved to model parts of armchair CARBON NANOTUBEs using computational quantum chemistry methods. Interactions of aromatic molecule BENZENE and sodium ions with the modeled CARBON NANOTUBEs were considered to understand effects of diameter of nanotube and type of interaction on strength of binding of drug and ions with nanotubes. Investigation of p-p and cation-p binding energies with change in outer diameter of nanotubes shows that modeled nanotubes behave in three manners towards the BENZENE molecule and sodium ions which are indicative of similar nature of these two types of interactions. Results demonstrate that functionalized CARBON NANOTUBEs by aromatic molecules and ions can act in a similar and good manner and are thus accepted as useful drug delivers. Also, these functionalized CARBON NANOTUBEs can carry various drugs to corresponding target molecules in damaged tissues without changing the drugs structure and nature.

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APA: Copy

KARIMI, P., & EBRAHIMI, A.. (2016). INVESTIGATION OF INTERACTIONS OF BENZENE MOLECULE AND SODIUM IONS WITH MODELED CARBON NANOTUBES AS DRUG DELIVERS. JOURNAL OF APPLIED RESEARCHES IN CHEMISTRY (JARC), 10(1), 73-82. SID. https://sid.ir/paper/180136/en

Vancouver: Copy

KARIMI P., EBRAHIMI A.. INVESTIGATION OF INTERACTIONS OF BENZENE MOLECULE AND SODIUM IONS WITH MODELED CARBON NANOTUBES AS DRUG DELIVERS. JOURNAL OF APPLIED RESEARCHES IN CHEMISTRY (JARC)[Internet]. 2016;10(1):73-82. Available from: https://sid.ir/paper/180136/en

IEEE: Copy

P. KARIMI, and A. EBRAHIMI, “INVESTIGATION OF INTERACTIONS OF BENZENE MOLECULE AND SODIUM IONS WITH MODELED CARBON NANOTUBES AS DRUG DELIVERS,” JOURNAL OF APPLIED RESEARCHES IN CHEMISTRY (JARC), vol. 10, no. 1, pp. 73–82, 2016, [Online]. Available: https://sid.ir/paper/180136/en

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