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2014 | 126 | 3 | 845-848
Article title

Theoretical Semiempirical Study of the Nitrone (Anticancer Drug) Interaction with Fullerene C60 (as Delivery)

Content
Title variants
Languages of publication
EN
Abstracts
EN
Modelling of the quantum interaction properties of nitrone on the fullerene C60 has been investigated by the use of PM3 calculations. It has been found that the interaction potential of the nitrone with the fullerene C60 led to stable complexes when the fullerene reacted with the carbon atom (C^1-centered) and metastable conformations with carbon atom (C^2-centered). We have studied the effect of two rotation characteristics (nitrone and NOCH_2 group) on the binding between the fullerene C60 with the nitrone. Our results suggested that the binding energy is lower as the nitrone rotation increases and the NOCH_2 group rotation showed more effect. The fullerene C60 may be able to do more linking with molecules of nitrone.
Keywords
EN
Publisher

Year
Volume
126
Issue
3
Pages
845-848
Physical description
Dates
published
2014-08
received
2013-05-09
(unknown)
2014-03-05
Contributors
author
  • Department of Physics, College of Science, Basrah University, Karmet Ali, Basrah, Iraq
author
  • Department of Chemistry, College of Science, Basrah University, Karmet Ali, Basrah, Iraq
author
  • Department of Physics, College of Science, Basrah University, Karmet Ali, Basrah, Iraq
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Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.bwnjournal-article-appv126n338kz
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