Molecular modeling and oct monitoring of optical clearing of human skin
Ekaterina Yu. Stepanovich1, K. V. Berezin2, E.V. Grabarchuk1, A. M. Lichter1, K. N. Dvoretski3, V. V. Tuchin 2,4;
1Astrakhan Tatishchev State University, Astrakhan, Russia
2Institute of Physics, Saratov State University, Saratov, Russia,
3Saratov State Medical University, Saratov Russia,
4Science Medical Center, Saratov State University, Saratov, Russia
Abstract
Using the OCT method, results were obtained from immersion optical clearing of human skin in vivo under the influence of three different optical clearing agents (OCAs), such as an aqueous solution of sorbitol, an aqueous solution of xylitol and an aqueous solution DMCO. To assess the effectiveness of optical clearing (EOC), the rate of decrease of the light scattering coefficient was determined from the average A-scan OCT image in the dermis at a depth of 350 to 700 μm. As a result of molecular modeling using quantum chemistry methods HF/STO3G/DFT/B3LYP/6 311G(d) of a number of OPAs (sorbitol, xylitol, xylose, DMCO), correlations between the EOP and the energy of intermolecular interaction of OPA with the collagen peptide fragment (GPH)3 were established. Using this correlation, the EOP values for the molecule of Xylose, were predicted.
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Ekaterina Yu. Stepanovich
Astrakhan Tatishchev State University
Russia
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