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使用格拉姆角场和卷积神经网络对人体血液中葡萄糖浓度的拉曼光谱进行定量分析。

Quantitative analysis of Raman spectra for glucose concentration in human blood using Gramian angular field and convolutional neural network.

作者信息

Wang Qiaoyun, Pian Feifei, Wang Mingxuan, Song Shuai, Li Zhigang, Shan Peng, Ma Zhenhe

机构信息

College of Information Science and Engineering, Northeastern University, Shenyang, Liaoning Province 110819, China; Hebei Key Laboratory of Micro-Nano Precision Optical Sensing and Measurement Technology, Qinhuangdao 066004, China.

College of Information Science and Engineering, Northeastern University, Shenyang, Liaoning Province 110819, China; Hebei Key Laboratory of Micro-Nano Precision Optical Sensing and Measurement Technology, Qinhuangdao 066004, China.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2022 Jul 5;275:121189. doi: 10.1016/j.saa.2022.121189. Epub 2022 Mar 26.

Abstract

In this study, convolutional neural network based on Gramian angular field (GAF-CNN) was firstly proposed. The 1-D Raman spectral data was converted into images and used for predicting the biochemical value of blood glucose. 106 sets of blood spectrums were acquired by Fourier transform (FT) Raman spectroscopy. Spectral data ranging from 800 cm to 1800 cm were selected for quantitative analysis of the blood glucose. Data augmentation was used to train neural networks and normalize the Raman spectra. And, we applied principal component analysis (PCA) for dimension reduction and information extraction. The root mean squared error of prediction (RMSEP) are 0.06570 (GADF) and 0.06774 (GASF), the determination coefficient of prediction (R) are 0.99929 (GADF) and 0.99925 (GASF), and the residual predictive deviation of prediction (RPD) are 37.56324 (GADF) and 36.43362 (GASF). GAF-CNN model performed better for predicting of glucose concentration. The GAF-CNN model can be used to establish a calibration model to predict blood glucose concentration.

摘要

在本研究中,首次提出了基于格拉姆角场的卷积神经网络(GAF-CNN)。将一维拉曼光谱数据转换为图像,并用于预测血糖的生化值。通过傅里叶变换(FT)拉曼光谱采集了106组血液光谱。选择800厘米至1800厘米范围内的光谱数据用于血糖的定量分析。使用数据增强来训练神经网络并对拉曼光谱进行归一化。并且,我们应用主成分分析(PCA)进行降维和信息提取。预测的均方根误差(RMSEP)分别为0.06570(GADF)和0.06774(GASF),预测的决定系数(R)分别为0.99929(GADF)和0.9992(GASF),预测的剩余预测偏差(RPD)分别为37.56324(GADF)和36.43362(GASF)。GAF-CNN模型在预测葡萄糖浓度方面表现更好。GAF-CNN模型可用于建立校准模型以预测血糖浓度。

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