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

被引:4
作者
Dvoretsky K.N. [1 ]
Berezin K.V. [2 ,3 ]
Chernavina M.L. [2 ]
Likhter A.M. [3 ]
Shagautdinova I.T. [3 ]
Antonova E.M. [3 ]
Grechukhina O.N. [6 ]
Tuchin V.V. [2 ,4 ,5 ]
机构
[1] Saratov State Medical University, Saratov
[2] National Research Saratov State University, Saratov
[3] Astrakhan State University, Astrakhan
[4] Institute of Precision Mechanics and Control, Russian Academy of Sciences, Saratov
[5] National Research Tomsk State University, Tomsk
[6] Caspian Institute for Marine and River Transport, Astrakhan
关键词
collagen; glycerin; immersion optical clearing of biological tissues; molecular dynamics; molecular modeling;
D O I
10.1134/S1027451018050233
中图分类号
学科分类号
摘要
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. © 2018, Pleiades Publishing, Ltd.
引用
收藏
页码:961 / 967
页数:6
相关论文
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