Fast and Deep Diagnosis Using Blood-Based ATR-FTIR Spectroscopy for Digestive Tract Cancers
Abstract
:1. Introduction
2. Materials and Methods
2.1. In-Situ FTIR Measurement
2.2. Study Participants
2.3. Blood-Sample Preparation and ATR-FTIR Spectroscopy
2.4. Multivariate and Statistical Analysis
3. Results
3.1. Spectrally Resolved Band Assignments and Differential Interpretation of DTCs
3.2. Comparison of FTIR Spectral and Clinical Tumor Marker Screening
3.3. IMF-Based Identification of DTCs
3.4. Machine Learning for Classification of Different Pathological Stage
4. Discussion
5. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
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Assignments | Band Locations/(cm−1) | Relative Absorbance (a.u.) | ||||||
---|---|---|---|---|---|---|---|---|
LC (p) | GC (p) | CC (p) | Control | LC | GC | CC | Control | |
amide A | 3366.2 (**) | 3364.2 | 3364.2 | 3346.3 | 1 | 1 | 1 | 1 |
νas (CH3) | 2962.4 (***) | 2956.7 (**) | 2960.6 (***) | 2954.8 | 1.06 | 1.12 | 0.94 | 1.07 |
νas (CH2) | 2927.8 (**) | 2925.8 | 2923.9 (**) | 2925.8 | 1 | 1.06 | 0.82 | 0.83 |
amide I | 1637.5 | 1639.4 (**) | 1638.2 (*) | 1637.6 | 1 | 1 | 1 | 1 |
amide II | 1548.8 (**) | 1544.9 (**) | 1554.5 (***) | 1546.9 | 0.98 | 1.04 | 0.79 | 1.03 |
δ (CH2) | 1456.2 (***) | 1455.6 (***) | 1460.0 (***) | 1452.3 | 1.11 | 1.05 | 0.83 | 0.83 |
νs (COO−) | 1400.0 (***) | 1398.3 (**) | 1402.2 (***) | 1397.6 | 0.95 | 1.05 | 0.73 | 1.02 |
amide III | 1315.4 (***) | 1309.6 (**) | 1313.4 (***) | 1311.5 | 0.93 | 1.26 | 0.73 | 1.02 |
νas (PO2−) | 1245.9 (**) | 1247.9 | 1244.0 (***) | 1247.2 | 0.87 | 1 | 0.67 | 0.91 |
νs (C-O-C) | 1168.8 (**) | 1164.9 (***) | 1167.3 (*) | 1166.9 | 0.83 | 1 | 0.67 | 0.91 |
νs (PO2−) | 1089.7 (**) | 1083.9 (***) | 1081.8 (***) | 1091.6 | 0.92 | 1 | 0.58 | 0.91 |
Serum Biochemistry | Structural Formula | Function Groups | LC | GC | CC | |||||
---|---|---|---|---|---|---|---|---|---|---|
Test Item | Reference Range | Results | FTIR Band (Δ) | Absorb (%) | FTIR Band (Δ) | Absorb (%) | FTIR Band (Δ) | Absorb (%) | ||
CEA | 0–5 ng/mL | LC: 1.37 (±0.07) GC: 34.83 (±0.12) CC: 68.70 (±0.25) | δ(NH) ν(C-O-H) | 1508.1↑ 1041.9↑ | 0.74↑ 0.68↑ | 1508.0↑ 1039.7 | 0.72↑ 0.69↑ | 1508.1↑ 1041.2↑ | 0.73↑ 0.68 | |
CA | 0–35 U/mL | LC: 54.74 (±0.21) GC: 201.02 (±0.63) CC: 423.79 (±0.47) | νs(NH-C=O) δout(NH) | 1119.4↑ 984.8↑ | 0.68↑ 0.70↑ | 1119.4↑ 986.1↑ | 0.67↑ 0.69↑ | 1118.2↑ 986.1↑ | 0.66↑ 0.70↑ | |
AFP | 0–9 ng/mL | LC: 701.01 (±0.52) | ν(C=O) | 1638.2↓ | 0.02↑ |
Methods | Accuracies of Classification | ||
---|---|---|---|
Raw IR Data (%) | SD-IR Data (%) | Combined Data(%) | |
BP | 72.3 (±0.31) | 91.4 (±0.24) | 97.1 (±0.11) |
KNN | 81.1 (±0.14) | 85.6 (±0.09) | 93.8 (±0.06) |
RF | 76.3 (±0.18) | 87.0 (±0.13) | 92.7 (±0.03) |
DT | 73.0 (±0.26) | 84.5 (±0.14) | 92.7 (±0.19) |
Logistic | 71.1 (±0.29) | 85.6 (±0.26) | 96.6 (±0.06) |
SVM | 74.5 (±0.15) | 82.4 (±0.13) | 97.7 (±0.19) |
MVLR | 87.5 (±0.09) | 96.4 (±0.04) | 100.0 (±0) |
PLS-DA | 88.2 (±0.05) | 97.9 (±0.02) | 100.0 (±0) |
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Guo, S.; Wei, G.; Chen, W.; Lei, C.; Xu, C.; Guan, Y.; Ji, T.; Wang, F.; Liu, H. Fast and Deep Diagnosis Using Blood-Based ATR-FTIR Spectroscopy for Digestive Tract Cancers. Biomolecules 2022, 12, 1815. https://doi.org/10.3390/biom12121815
Guo S, Wei G, Chen W, Lei C, Xu C, Guan Y, Ji T, Wang F, Liu H. Fast and Deep Diagnosis Using Blood-Based ATR-FTIR Spectroscopy for Digestive Tract Cancers. Biomolecules. 2022; 12(12):1815. https://doi.org/10.3390/biom12121815
Chicago/Turabian StyleGuo, Shanshan, Gongxiang Wei, Wenqiang Chen, Chengbin Lei, Cong Xu, Yu Guan, Te Ji, Fuli Wang, and Huiqiang Liu. 2022. "Fast and Deep Diagnosis Using Blood-Based ATR-FTIR Spectroscopy for Digestive Tract Cancers" Biomolecules 12, no. 12: 1815. https://doi.org/10.3390/biom12121815