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人体皮肤光学透明化:分子建模与体内 OCT 研究。

Optical clearing of human skin: Molecular modeling and in vivo OCT study.

机构信息

Institute of Physics, Saratov State University, Saratov, Russia.

Astrakhan Tatishchev State University, Astrakhan, Russia.

出版信息

J Biophotonics. 2024 Feb;17(2):e202300354. doi: 10.1002/jbio.202300354. Epub 2023 Dec 6.

Abstract

The results of in vivo immersion optical clearing of human skin under the action of two different optical clearing agents (OCAs), such as an aqueous sucrose solution and a radiographic contrast agent Omnipaque™ 300 (iohexol), were obtained with the use of optical coherence tomography (OCT) method. The rate of reduction of light scattering coefficient, obtained through an averaged A-scan of the OCT image in the region of dermis within the depths from 350 to 700 μm, were determined to evaluate the efficiency of optical clearing (EOC). The correlations between the EOC and the energy of intermolecular interaction of OCAs with a fragment of collagen peptide have been established as a result of molecular modeling by quantum chemistry methods HF/STO3G/DFT/B3LYP/6-311G(d) of a number of OCAs (glycerol, iohexol, sucrose, ribose, fructose, glucose) with mimetic peptide of collagen (GPH) .

摘要

利用光学相干断层扫描(OCT)方法,获得了两种不同的光学透明剂(OCA)(例如,蔗糖水溶液和造影剂欧乃派克™ 300(碘海醇))作用下人体皮肤体内浸泡光学透明化的结果。通过对 OCT 图像中真皮区域的平均 A 扫描,确定了散射系数降低率,以评估光学透明化效率(EOC)。通过量子化学方法 HF/STO3G/DFT/B3LYP/6-311G(d)对一系列 OCA(甘油、碘海醇、蔗糖、核糖、果糖、葡萄糖)与胶原蛋白模拟肽(GPH)的分子建模,建立了 EOC 与 OCA 与胶原蛋白肽片段的分子间相互作用能之间的相关性。

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