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基于 SERS 的人工智能通过呼气诊断肺癌和胃癌。

SERS-based AI diagnosis of lung and gastric cancer via exhaled breath.

机构信息

Chongqing Key Laboratory of Interface Physics in Energy Conversion, College of Physics, Chongqing University, Chongqing 400044, China.

School of Optoelectronics Engineering, Chongqing University, Chongqing 401331, China.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2024 Jun 5;314:124181. doi: 10.1016/j.saa.2024.124181. Epub 2024 Mar 22.

DOI:10.1016/j.saa.2024.124181
PMID:38527410
Abstract

Distinct diagnosis between Lung cancer (LC) and gastric cancer (GC) according to the same biomarkers (e.g. aldehydes) in exhaled breath based on surface-enhanced Raman spectroscopy (SERS) remains a challenge in current studies. Here, an accurate diagnosis of LC and GC is demonstrated, using artificial intelligence technologies (AI) based on SERS spectrum of exhaled breath in plasmonic metal organic frameworks nanoparticle (PMN) film. In the PMN film with optimal structure parameters, 1780 SERS spectra are collected, in which 940 spectra come from healthy people (n = 49), another 440 come from LC patients (n = 22) and the rest 400 come from GC patients (n = 8). The SERS spectra are trained through artificial neural network (ANN) model with the deep learning (DL) algorithm, and the result exhibits a good identification accuracy of LC and GC with an accuracy over 89 %. Furthermore, combined with information of SERS peaks, the data mining in ANN model is successfully employed to explore the subtle compositional difference in exhaled breath from healthy people (H) and L/GC patients. This work achieves excellent noninvasive diagnosis of multiple cancer diseases in breath analysis and provides a new avenue to explore the feature of disease based on SERS spectrum.

摘要

基于表面增强拉曼光谱(SERS)的呼气生物标志物(如醛类)区分肺癌(LC)和胃癌(GC)仍然是当前研究中的一个挑战。在这里,我们使用基于等离子体金属有机框架纳米粒子(PMN)薄膜的呼气 SERS 光谱的人工智能技术(AI),对 LC 和 GC 进行了准确的诊断。在具有最佳结构参数的 PMN 薄膜中,收集了 1780 个 SERS 光谱,其中 940 个光谱来自健康人(n=49),另外 440 个光谱来自 LC 患者(n=22),其余 400 个光谱来自 GC 患者(n=8)。SERS 光谱通过具有深度学习(DL)算法的人工神经网络(ANN)模型进行训练,结果显示对 LC 和 GC 的识别准确率超过 89%。此外,通过 ANN 模型中的数据挖掘,结合 SERS 峰的信息,成功地探索了来自健康人(H)和 LC/GC 患者的呼气中细微的组成差异。这项工作实现了基于 SERS 光谱的呼吸分析中多种癌症疾病的无创诊断,为基于 SERS 光谱探索疾病特征提供了新途径。

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