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Nanocomposites, Nanophotonics, Nanobiotechnology, and Applications pp 165–174Cite as

Impact of Carbon Nanotube on Homocysteine Clusters: MD Simulation

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Part of the book series: Springer Proceedings in Physics ((SPPHY,volume 156))

Abstract

The role of homocysteine in the human body is not well known but its level is associated with cardiovascular disease. The pure clusters composed of n = 65 and 2500 homocysteine molecules have been studied by the computer simulation molecular dynamics (MD) method. Among the anticipated applications of the carbon nanotubes is their use in biological sensors, particularly homocysteine nanosensor. We have also examined the impact of a carbon nanotube on the homocysteine clusters. The mean square displacement, diffusion coefficient, and radial distribution function of homocysteine have been calculated for several temperatures, including the physiological (T = 310 K). We interpret the behavior of homocysteine molecules in the pure clusters and in the clusters with carbon nanotube by a qualitative interpretation of physical observables and snapshots of instantaneous configurations.

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Acknowledgments

Calculations were partially performed in ACK CYFRONET AGH on the Rack Server Mars.

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Authors and Affiliations

  1. Institute of Physics, University of Silesia, Uniwersytecka 4, 40–007, Katowice, Poland

    Przemysław Raczyński, Krzysztof Górny & Zygmunt Gburski

Authors
  1. Przemysław Raczyński
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  2. Krzysztof Górny
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  3. Zygmunt Gburski
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Corresponding author

Correspondence to Przemysław Raczyński .

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Editors and Affiliations

  1. National Academy of Sciences of Ukraine, Institute of Physics, Kiev, Ukraine

    Olena Fesenko

  2. National Academy of Sciences of Ukraine, Institute of Physics, Kiev, Ukraine

    Leonid Yatsenko

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Raczyński, P., Górny, K., Gburski, Z. (2015). Impact of Carbon Nanotube on Homocysteine Clusters: MD Simulation. In: Fesenko, O., Yatsenko, L. (eds) Nanocomposites, Nanophotonics, Nanobiotechnology, and Applications. Springer Proceedings in Physics, vol 156. Springer, Cham. https://doi.org/10.1007/978-3-319-06611-0_14

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