人体皮肤的光学清除:分子建模和体内OCT研究
K V Berezin1, E V Grabarchuk2, A M Lichter2
1Institute of Physics, Saratov State University, Saratov, Russia.
Journal of biophotonics
|November 29, 2023
概括
像糖糖和醇这样的光学清除剂减少皮肤光散射,增强光学连贯性断层扫描成像. 分子建模揭示了剂和原之间的相互作用与清除效率相关.
科学领域:
- 生物医学光学 生物医学光学
- 生物物理学的生物物理.
- 材料科学 材料科学 材料科学
背景情况:
- 光学清除剂 (OCAs) 对于改善光线透到生物组织至关重要.
- 人体皮肤的光学特性对像光学连贯断层扫描 (OCT) 这样的非侵入性成像技术提出了挑战.
- 了解OCA-组织相互作用是优化成像深度和分辨率的关键.
研究的目的:
- 为了评估人体皮肤的体内光学清除效率 (EOC),使用两个不同的OCA:糖和OmnipaqueTM 300 (iohexol).
- 建立EOC和各种OCA与原蛋白的分子间相互作用能量之间的相关性.
- 提供对皮肤光学清除背后的分子机制的见解.
主要方法:
- 在人体皮肤的体内浸泡光学清除.
- 光学连贯性断层扫描 (OCT) 用于量化评估光散射减少.
- 使用量子化学方法 (HF/STO3G/DFT/B3LYP/6-311G) 的分子建模,以模拟OCA-原相互作用.
主要成果:
- 糖糖和醇都在人体皮肤上表现出光学清除作用.
- 光学清除 (EOC) 的效率通过皮肤 (350700微米深度) 中光散射系数的减少来量化.
- 在EOC和OCA与原仿真 (GPH) 之间的分子间相互作用的计算能量之间建立了相关性3.
结论:
- 水性糖和醇是有效的 in vivo 光学清除剂,用于人类皮肤.
- OCAs和原之间的相互作用能量是光学清除效率的预测因素.
- 这项研究将分子相互作用与宏观光学清除效应联系起来,有助于开发先进的成像策略.
相关概念视频
02:00Molecular Models
Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.
01:28IR and UV–Vis Spectroscopy of Carboxylic Acids
In IR spectroscopy of carboxylic acids, the C=O bond shows a characteristic band between 1710 and 1760 cm⁻¹, and the O–H bond exhibits a broad band between 2500 and 3300 cm⁻¹.
However, the stretching absorptions for the C=O bond vary depending on the structure of carboxylic acids. The C=O bond of the free carboxylic acids shows a higher stretching frequency, 1760 cm−1, while H-bonded carboxylic acids (dimers) exhibit stretching absorptions at a lower frequency, 1710 cm−1. The C=O bond of the...
However, the stretching absorptions for the C=O bond vary depending on the structure of carboxylic acids. The C=O bond of the free carboxylic acids shows a higher stretching frequency, 1760 cm−1, while H-bonded carboxylic acids (dimers) exhibit stretching absorptions at a lower frequency, 1710 cm−1. The C=O bond of the...