Optical clearing of human skin in vivo using an aqueous solution of glucosamine hydrochloride and molecular modeling of its interaction with collagen
Elena V. Grabarchuk1, K. V. Berezin2, A. M. Lichter1, K. N. Dvoretski3, V. V. Tuchin 2,4;
1Astrakhan Tatishchev State University,
2Institute of Physics, Saratov State University, Saratov, Russia, Russia,
3Saratov State Medical University, Russia,
4Science Medical Center, Saratov State University, Saratov, Russia
Abstract
Using an optical coherence tomograph, the results of immersion optical clearing of human skin in vivo were obtained using an aqueous solution of glucosamine hydrochloride as a clearing agent. To assess the efficiency of optical clearing, the rate of decrease in the light scattering coefficient was determined, obtained using an averaged A-scan - a tomograph image in the dermis at a depth of 350 to 700 μm. Complex molecular modeling was performed, which includes classical molecular dynamics methods and HF / STO3G / DFT / B3LYP / 6 311G (d) quantum chemistry methods of intermolecular interaction of a number of clearing agents related to amino and imino sugars (glucosamine, galactosamine, 1-deoxynodirymicin) with a fragment of collagen peptide (GPH) 3. Correlations were established between the optical clearing efficiency and such theoretical parameters as the average number of hydrogen bonds formed between clearing agents and a fragment of collagen peptide (GPH)3 and the energy of intermolecular interaction of clearing agents with the same peptide. Using the constructed correlation, the values of optical clearing efficiency were predicted for glucosamine, galactosamine and 1-deoxynodirymicin molecules.
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Elena V. Grabarchuk
Astrakhan Tatishchev State University
Russia
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