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Discrete combination method based on equidistant wavelength screening and its application to near-infrared analysis of hemoglobin

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Abstract

A wavelength selection method for discrete wavelength combinations was developed based on equidistant combination-partial least squares (EC-PLS) and applied to a near-infrared (NIR) spectroscopic analysis of hemoglobin (Hb) in human peripheral blood samples. An allowable model set was established through EC-PLS on the basis of the sequence of the predicted error values. Then, the wavelengths that appeared in the allowable models were sorted, combined, and utilized for modeling, and the optimal number of wavelengths in the combinations was determined. The ideal discrete combination models were obtained by traversing the number of allowable models. The obtained optimal EC-PLS and discrete wavelength models contained 71 and 42 wavelengths, respectively. A simple and high-performance discrete model with 35 wavelengths was also established. The validation samples excluded from modeling were used to validate the three models. The root-mean-square errors for the NIR-predicted and clinically measured Hb values were 3.29, 2.86, and 2.90 g·L–1, respectively; the correlation coefficients, relative RMSEP, and ratios of performance to deviation were 0.980, 0.983, and 0.981; 2.7%, 2.3%, and 2.4%; and 4.6, 5.3, and 5.2, respectively. The three models achieved high prediction accuracy. Among them, the optimal discrete combination model performed the best and was the most effective in enhancing prediction performance and removing redundant wavelengths. The proposed optimization method for discrete wavelength combinations is applicable to NIR spectroscopic analyses of complex samples and can improve prediction performance. The proposed wavelength models can be utilized to design dedicated spectrometers for Hb and can provide a valuable reference for non-invasive Hb detection.

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Acknowledgements

This work was supported by the National Natural Science Foundation of China (Grant No. 61078040), the Science and Technology Project of Guangdong Province of China (Nos. 2014A020213016, and 2014A020212445).

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Authors and Affiliations

  1. Department of Optoelectronic Engineering, Jinan University, Guangzhou, 510632, China

    Tao Pan, Bingren Yan & Lijun Yao

  2. Department of Biological Engineering, Jinan University, Guangzhou, 510632, China

    Jiemei Chen

Authors
  1. Tao Pan
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  2. Bingren Yan
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  3. Jiemei Chen
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  4. Lijun Yao
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Corresponding authors

Correspondence to Tao Pan or Lijun Yao.

Additional information

Tao Pan is a professor and Ph.D. supervisor in Department of Optoelectronic Engineering at Jinan University. He received his B.S. degree of mathematics from Sichuan University, China, and his Ph.D. degree of biological information engineering from Mie University, Japan. He is director of Applied Spectroscopy Laboratory at Jinan University, College of Science and Engineering. He is engaged in studies of spectroscopy, biomedical information, chemometrics, pattern recognition and partial differential equations, and so on. He has published more than 90 peer reviewed papers. He has received four academic awards issued by the Ministry of Personnel of the People’s Republic of China and Guangxi Province, and won the honors of “First batch of 100 outstanding overseas students” issued by the Ministry of Education of the People’s Republic of China, etc.

Bingren Yan is a master student majored in optoelectronic engineering from the Department of Optoelectronic Engineering at Jinan University, Guangzhou, China.

Jiemei Chen is an associate professor in Department of Biological Engineering at Jinan University. She received her B.S. and M.S. degrees of microbiology from Sichuan University and Guangxi University, China, and her Ph.D. degree of biology from Mie University, Japan. She is engaged in studies of microbiology, spectroscopy, biomedical information, etc. She has published more than 60 peer reviewed papers.

Lijun Yao is a lecturer in Department of Optoelectronic Engineering at Jinan University. He graduated from the First Aviation Academy of Chinese Air Force, China. He received his M.S. degree of condensed matter physics and Ph.D. degree of biological information technology from Jinan University, China. He is engaged in studies of spectroscopy, biomedical information, chemometrics. He has published more than 40 peer reviewed papers.

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Pan, T., Yan, B., Chen, J. et al. Discrete combination method based on equidistant wavelength screening and its application to near-infrared analysis of hemoglobin. Front. Optoelectron. 11, 296–305 (2018). https://doi.org/10.1007/s12200-018-0804-2

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  • DOI: https://doi.org/10.1007/s12200-018-0804-2

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