Molecular Modeling of the Post-Diffusion Stage of Surface Bio-Tissue Layers Immersion Optical Clearing

  • K. N. Dvoretsky
  • K. V. Berezin
  • M. L. Chernavina
  • A. M. Likhter
  • I. T. Shagautdinova
  • E. M. Antonova
  • O. N. GrechukhinaEmail author
  • V. V. Tuchin


The interaction of an immersion agent such as glycerin with collagen mimetic peptide ((GPH)9)3 and a fragment of microfibril 5((GPH)12)3 is studied by the classical molecular dynamics method using GROMACS software. The change in the geometric parameters of collagen α-chains at various concentrations of an aqueous solution of glycerin is analyzed. It is shown that these changes nonlinearly depend on the concentration and have a maximum that fit well with experimental data on the efficiency of the optical clearing of a human skin. A reason for the decrease in the efficiency of skin optical clearing at high immersion-agent concentrations is proposed. The molecular mechanism of the immersion optical clearing of biological tissues is discussed.


molecular modeling immersion optical clearing of biological tissues glycerin collagen molecular dynamics 


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© Pleiades Publishing, Ltd. 2018

Authors and Affiliations

  • K. N. Dvoretsky
    • 1
  • K. V. Berezin
    • 2
    • 3
  • M. L. Chernavina
    • 2
  • A. M. Likhter
    • 3
  • I. T. Shagautdinova
    • 3
  • E. M. Antonova
    • 3
  • O. N. Grechukhina
    • 6
    Email author
  • V. V. Tuchin
    • 2
    • 4
    • 5
  1. 1.Saratov State Medical University named after V.I. RazumovskySaratovRussia
  2. 2.National Research Saratov State University named after N.G. ChernyshevskySaratovRussia
  3. 3.Astrakhan State UniversityAstrakhanRussia
  4. 4.Institute of Precision Mechanics and ControlRussian Academy of SciencesSaratovRussia
  5. 5.National Research Tomsk State UniversityTomskRussia
  6. 6.Caspian Institute for Marine and River TransportAstrakhanRussia

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