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The influence of fullerenol on the dynamics of nitric oxide molecule in water solvent - computer simulation

Adam Piątek ,  Zygmunt Gburski 

University of Silesia, Institute of Physics, Uniwersytecka 4, Katowice 40-007, Poland


    The potential nitric oxide-scavenging activity of polyhydroxylated derivative of fullerene, fullerenol C60(OH)24 , has been tested using the computer simulation (MD) method. The impact of water soluble fullerenol on the dynamics of NO molecule has been observed by calculating  several quantities: radial distribution function, linear and angular velocity correlation functions, diffusion coefficient, mean square displacement,   etc. at physiological temperature.


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Related papers

Presentation: Poster at E-MRS Fall Meeting 2008, Symposium L, by Adam Piątek
See On-line Journal of E-MRS Fall Meeting 2008

Submitted: 2008-05-16 18:52
Revised:   2009-06-07 00:48