Advancing Glycan Analysis: A New Platform Integrating SERS, Boronic Acids, and Machine Learning Algorithms
Advancing Glycan Analysis: A New Platform Integrating SERS, Boronic Acids, and Machine Learning Algorithms
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DOI：
10.1002/adsr.202300052
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发表时间：
2023-12-01
期刊：
影响因子：
--
通讯作者：
Wu，Hung-Jen
中科院分区：
文献类型：
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作者：
Hu，Qiang;Kuai，Dacheng;Wu，Hung-Jen
聚糖是最丰富的基本生物分子，但由于其结构复杂性，对其进行分析具有挑战性。为了解决这个问题，通过集成表面增强拉曼光谱（SERS）、硼酸受体和机器学习工具开发了一种新型聚糖检测平台。硼酸受体与聚糖结合，反应影响分子振动，从而产生独特的拉曼光谱模式。与之前的研究侧重于设计对目标聚糖具有高结合选择性的硼酸不同，该传感器旨在使用机器学习算法分析光谱模式的整体变化。为了进行概念验证，使用 4-巯基苯基硼酸 (4MBA) 和 1-噻蒽基硼酸 (1TBA) 进行聚糖检测。该传感平台成功识别了立体异构体和具有不同糖苷键的结构异构体。由于聚糖结构信息的丰富，结合两个硼酸受体的光谱的集体光谱提高了支持向量机模型的性能。此外，这种新传感器可以使用机器学习回归技术量化乳糖背景中唾液酸的摩尔分数。这种低成本、快速且易于使用的传感器将为科学界在标准生物实验室中进行频繁的比较聚糖筛选提供另一种选择。
Glycans are the most abundant fundamental biomolecules, but profiling glycans is challenging due to their structural complexity. To address this, a novel glycan detection platform is developed by integrating surface‐enhanced Raman spectroscopy (SERS), boronic acid receptors, and machine learning tools. Boronic acid receptors bind with glycans, and the reaction influences molecular vibrations, leading to unique Raman spectral patterns. Unlike prior studies that focus on designing a boronic acid with high binding selectivity toward a target glycan, this sensor is designed to analyze overall changes in spectral patterns using machine learning algorithms. For proof‐of‐concept, 4‐mercaptophenylboronic acid (4MBA) and 1‐thianthrenylboronic acid (1TBA) are used for glycan detection. The sensing platform successfully recognizes the stereoisomers and the structural isomers with different glycosidic linkages. The collective spectra that combine the spectra from both boronic acid receptors improve the performance of the support vector machine model due to the enrichment of the structural information of glycans. In addition, this new sensor could quantify the mole fraction of sialic acid in lactose background using the machine learning regression technique. This low‐cost, rapid, and highly accessible sensor will provide the scientific community with another option for frequent comparative glycan screening in standard biological laboratories.