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Molecular Dynamics Simulations of N-Acetyl-p-aminophenol Molecules Embedded in High-Density Lipoprotein

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Nanophysics, Nanophotonics, Surface Studies, and Applications

Part of the book series: Springer Proceedings in Physics ((SPPHY,volume 183))

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Abstract

N-Acetyl-p-aminophenol, well known as paracetamol or acetaminophen, is widely used as a pain reliever or a fever reducer. In our computer studies, we embedded various numbers of acetaminophen molecules into the high-density lipoprotein (HDL) aggregate. The calculations were performed, in water environment, for four temperatures (T = 290, 300, 310, and 320 K), including a physiological one T = 310 K.

The structural and dynamical observables of acetaminophen (mean square displacement, diffusion coefficient, Lindemann index, and radial distribution function) are presented and discussed. We have found that HDL adapts its shape to the size of embedded paracetamol cluster.

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Authors and Affiliations

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

    Zygmunt Gburski & Violetta Raczyńska

Authors
  1. Zygmunt Gburski
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  2. Violetta Raczyńska
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Correspondence to Zygmunt Gburski .

Editor information

Editors and Affiliations

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

    Olena Fesenko

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

    Leonid Yatsenko

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Gburski, Z., Raczyńska, V. (2016). Molecular Dynamics Simulations of N-Acetyl-p-aminophenol Molecules Embedded in High-Density Lipoprotein. In: Fesenko, O., Yatsenko, L. (eds) Nanophysics, Nanophotonics, Surface Studies, and Applications. Springer Proceedings in Physics, vol 183. Springer, Cham. https://doi.org/10.1007/978-3-319-30737-4_25

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