Abstract
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.
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References
J. M. Hirshburg, PhD Thesis (Texas A&M Univ., College Station, TX, 2009).
Handbook of Optical Sensing of Glucose in Biological Fluids and Tissues, Ed. by V. V. Tuchin (CRC Press, 2009).
V. V. Tuchin, Optical Clearing of Tissues and Blood (SPIE Press, Bellingham, WA, 2006.).
D. Zhu, K. V. Larin, Q. Luo, and V. V. Tuchin, Laser Photonics Rev. 7 (5), 732 (2013). doi 10.1002/lpor.201200056
E. A. Genina, A. N. Bashkatov, Yu. P. Sinichkin, I. Yu. Yanina, and V. V. Tuchin, J. Biomed. Photonics Eng. 1 (1), 22 (2015). doi 10.1002/lpor.201200056
E. A. Genina, A. N. Bashkatov, V. I. Kochubey, and V. V. Tuchin, Opt. Spectrosc. 98 (3), 470 (2005).
E. A. Genina, A. N. Bashkatov, Yu. P. Sinichkin, and V. V. Tuchin, Kvantovaya Elektron. 36 (12), 1119 (2006). doi 10.1070/QE2006v036n12ABEH013337
E. A. Genina, A. N. Bashkatov, and V. V. Tuchin, Adv. Opt. Technol. 2008, 267867 (2008). doi 10.1155/2008/267867
A. N. Bashkatov, E. A. Genina, V. V. Tuchin, and G. B. Altshuler, Laser Phys. 19 (6), 1312 (2009). doi 10.1134/S1054660X09060231
X. Wen, V. V. Tuchin, Q. Luo, and D. Zhu, Phys. Med. Biol. 54 (22), 6917 (2009). doi 10.1088/0031-9155/54/22/011
N. Sudheendran, M. Mohamed, M. G. Ghosn, V. V. Tuchin, and K. V. Larin, J. Innovative Opt. Health Sci. 3 (3), 169 (2010). doi 10.1142/S1793545810001039
G. V. Simonenko, E. S. Kirillova, and V. V. Tuchin, Opt. Mem. Neural Networks 18 (2), 12 (2009). doi 10.3103/S1060992X09020106
D. K. Tuchina, R. Shi, A. N. Bashkatov, E. A. Genina, D. Zhu, Q. Luo, and V. V. Tuchin, J. Biophotonics 8 (4), 273 (2015). doi 10.1002/jbio.201400138
X. Wen, Z. Mao, Z. Han, V. V. Tuchin, and D. Zhu, J. Biophotonics 3 (1–2), 44 (2010). doi 10.1002/jbio.200910080
K. V. Berezin, K. N. Dvoretskiy, M. L. Chernavina, V. V. Nechaev, A. M. Likhter, I. T. Shagautdinova, E. Yu. Stepanovich, O. N. Grechukhina, and V. V. Tuchin, Proc. SPIE 10336, 103360J-1 (2017). doi 10.1117/12.2267979
K. Okuyama, K. Miyama, K. Mizuno, and H. P. Bachinger, Biopolymers 97 (8), 607 (2012). doi 10.1002/bip.22048
J. M. Chen, C. E. Kung, S. H. Feairheller, and E. M. Brown, J. Protein Chem. 10 (5), 535 (1991). doi 10.1007/BF01025482
W. D. Cornell, P. Cieplak, C. I. Bayly, I. R. Gould, K. M. Merz, Jr., D. M. Ferguson, D. C. Spellmeyer, T. Fox, J. W. Caldwell, and P. A. Kollman, J. Am. Chem. Soc. 117 (19), 5179 (1995). doi 10.1021/ja00124a002
V. D. Genin, D. K. Tuchina, A. J. Sadeq, E. A. Genina, V. V. Tuchin, and A. N. Bashkatov, J. Biomed. Photonics Eng. 2 (1), 010303 (2016). doi 10.18287/JBPE16.02.010303
E. Youn, T. Son, H.-S. Kim, and B. Jung, Proc. SPIE 8207, 82070J (2012). doi 10.1117/12.909790
A. D. Becke, J. Chem. Phys. 98 (7), 5648 (1993). doi 10.1063/1.464913
C. Lee, W. Yangand, and R. G. Parr, Phys. Rev. B 37 (2), 785 (1988). doi 10.1103/PhysRevB.37.785
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, et al., Gaussian 09, Revision A.02 (Gaussian, Pittsburgh, PA, 2009).
D. van der Spoel, E. Lindahl, B. Hess, G. Groenhof, E. A. Mark, and H. J. C. Berendsen, J. Comput. Chem. 26 (16), 1701 (2005). doi 10.1002/jcc.20291
Y. Duan, C. Wu, S. Chowdhury, M. C. Lee, G. Xiong, W. Zhang, R. Yang, P. Cieplak, R. Luo, T. Lee, J. Caldwell, J. Wang, et al., J. Comput. Chem. 24 (16), 1999 (2003). doi 10.1002/jcc.10349
H. J. C. Berendsen, J. R. Grigera, and T. P. Straatsma, J. Phys. Chem. 91 (2), 6269 (1987). doi 10.1021/j100308a038
H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, A. DiNola, and J. R. Haak, J. Chem. Phys. 81 (8), 3884 (1984). doi 10.1063/1.448118
W. Humphrey, A. Dalke, and K. Schulten, J. Mol. Graphics 14 (1), 33 (1996). doi 10.1016/0263-7855(96)00018-5
A. Bondi, J. Phys. Chem. 68 (3), 441 (1964). doi 10.1021/j100785a001
H. D. Loof, L. Nilssonand, and R. Rigler, J. Am. Chem. Soc. 114 (11), 4028 (1992). doi 10.1021/ja00037a002
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Dvoretsky, K.N., Berezin, K.V., Chernavina, M.L. et al. Molecular Modeling of the Post-Diffusion Stage of Surface Bio-Tissue Layers Immersion Optical Clearing. J. Surf. Investig. 12, 961–967 (2018). https://doi.org/10.1134/S1027451018050233
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DOI: https://doi.org/10.1134/S1027451018050233