Spectroscopy and Spectral Analysis, Volume. 41, Issue 11, 3468(2021)
Study on Identification of Non-Tuberculosis Mycobacteria Based on Single-Cell Raman Spectroscopy
Figures & Tables(8)
Fig. 1. Original average Raman spectra and difference peaks of six NTMs
Table 1. List of species and the number of Raman spectra from single cells
View tableView in ArticleTable 1. List of species and the number of Raman spectra from single cells
细菌名称 光谱数 脓肿分枝杆菌Mycobacterium abscessus 92 戈登分枝杆菌Mycobacterium gordonae 99 偶发分枝杆菌Mycobacterium fortuitum 67 土分枝杆菌Mycobacterium terrae 73 鸟分枝杆菌Mycobacterium avium 68 堪萨斯分枝杆菌Mycobacterium kansasii 154
Table 2. Molecular structure and composition of Raman peaks
View tableView in ArticleTable 2. Molecular structure and composition of Raman peaks
Peak position
/cm-1Proteins Lipids Nucleic acids Carbohydrates 644.126 C—S stretching & C—C twisting of proteins 726.371 Characteristic for phospholipids 783.39 U, T, C 829.318 tyrosine (proteins), O—P—O stretch DNA 854.267 C—O—C skeletal mode of α-anomers 1 004.49 Phenylalanine ring breath 1 030.24 ν(CO), ν(CC), ν(CCO) 1 084.69 Typical phospholipids 1 128.03 C—O stretching 1 153.82 C—C/C—N stretching 1 172.2 C—H in-plane bending mode of tyrosine, (CH) phenylalanine 1 211.05 ν(C-C6H5), tryptophan, phenylalanine 1 248.78 Amide Ⅲ 1 340.43 CH stretching of adenine 1 449.47 CH2 bending and scissoring modes of phospholipids 1 518.22 v(C=C) diagnostic for the presence of a carotenoid structure, most likely a cellular pigment v(C=C) carotenoid 1 574.87 Phenylalanine 1 604.68 Phenylalanine, tyrosine, C=C 1 669.75 Allyl C=C stretches
Table 3. Results of six identification models
View tableView in ArticleTable 3. Results of six identification models
Model Test dataset Sample Correct Accuracy/% SVM 164 163 99.4 K-NN 164 113 69.1 PLS-DA 164 139 85.0 RF 164 156 95.2 LDA 164 162 98.8 XGB 164 143 87.3
Table 4. Prediction results of SVM confusion matrix
View tableView in ArticleTable 4. Prediction results of SVM confusion matrix
SVM Prediction M. abscessus M. gordonae M. fortuitum M. terrae M. avium M. kansasii M. abscessus 23 0 0 0 0 0 M. gordonae 0 27 0 0 0 0 M. fortuitum 0 0 16 0 0 0 M. terrae 0 0 0 29 0 0 M. avium 0 0 0 0 21 0 M. kansasii 0 0 0 1 0 48
Table 5. Prediction results of LDA confusion matrix
View tableView in ArticleTable 5. Prediction results of LDA confusion matrix
LDA Prediction M. abscessus M. gordonae M. fortuitum M. terrae M. avium M. kansasii M. abscessus 22 0 1 0 0 0 M. gordonae 0 26 0 1 0 0 M. fortuitum 0 0 16 0 0 0 M. terrae 0 0 0 29 0 0 M. avium 0 0 0 0 21 0 M. kansasii 0 0 0 0 0 49
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Zhen RUAN, Peng-fei ZHU, Lei ZHANG, Rong-ze CHEN, Xun-rong LI, Xiao-ting FU, Zheng-gu HUANG, Gang ZHOU, Yue-tong JI, Pu LIAO. Study on Identification of Non-Tuberculosis Mycobacteria Based on Single-Cell Raman Spectroscopy[J]. Spectroscopy and Spectral Analysis, 2021, 41(11): 3468
Paper Information
Category: Orginal Article
Received: Mar. 25, 2021
Accepted: --
Published Online: Dec. 17, 2021
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