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通过尖端增强拉曼光谱显微镜识别单个DNA链中的单个核基的算法辅助结构识别

Lu-Yao Zhu¹, Yu Han¹, Yu-Fan Zhang¹

¹Hefei National Research Center for Physical Sciences at the Microscale and CAS Center for Excellence in Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026, China.

|October 31, 2025

概括

本研究介绍了一种算法辅助的尖端增强拉曼光谱 (TERS) 策略,用于确定长DNA结构. 这种无标签的方法可以准确地识别分子配置,而不会损害DNA链.

科学领域:

生物物理学的生物物理.
频谱学是一种光谱学.
计算化学的计算化学

背景情况:

DNA 的结构和功能取决于序列和立体化学.
目前的DNA测序方法通常涉及标记和复制,风险结构信息丢失.
单分子尖端增强拉曼光谱 (TERS) 提供无标签分析,但仅限于短DNA分子.

研究的目的:

开发一种算法辅助的策略,使用TERS成像来确定长链DNA分子的结构.
为了克服模拟大DNA分子TERS光谱的计算局限性.
为了能够在单核基层精确地确定DNA的结构.

主要方法:

开发一个匹配算法,以快速模拟TERS光谱和绘制长DNA链的图像.
在各种DNA分子系统中验证算法的准确性和效率.
将匹配算法与贝叶斯算法集成在一起,用于从TERS测量中实验性结构确定.

主要成果:

成功模拟了TERS光谱,并为数以万计原子的DNA分子绘制图像.
展示长单链DNA (ssDNA) 分子在表面上的准确和高效的结构确定.
在确定实验分子结构时实现单核基准确性,显示理论预测和实验数据之间的一致性.

结论:

拟议的算法辅助TERS策略使长DNA分子的无标签,高分辨率结构分析成为可能.
这种方法克服了对复杂的生物分子系统TERS应用的先前限制.
促进TERS作为一种多功能工具,用于识别各种复杂生物分子的序列和配置,包括DNA,RNA,蛋白质和糖.

关键词:

在DNA测序过程中,DNA测序拉曼成像技术的成像生物成像是一种生物成像.匹配算法对应的算法一个单一的DNA链.一个单个核基.结构识别结构识别尖端增强的拉曼光谱学

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