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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 |
Abstract |
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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Presentation: Poster at E-MRS Fall Meeting 2008, Symposium L, by Adam PiątekSee On-line Journal of E-MRS Fall Meeting 2008 Submitted: 2008-05-16 18:52 Revised: 2009-06-07 00:48 |