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Chemometric methods for extracting information from temperature-dependent near-infrared spectra

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  • SPECIAL ISSUE: Dedicated to the 100th Anniversary of Nankai University
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Abstract

Temperature-dependent near-infrared (NIR) spectroscopy is a new technique for measuring the NIR spectra of a sample at different temperatures. Taking the advantage of the temperature effect, the technique has shown its potential in both quantitative and qualitative analysis. The technique has been proved to be powerful in determination of the analytes in complex samples, particularly in studying the functions of water in aqueous systems due to the significant effect of temperature on the NIR spectra of water. Because of the complicated interactions in the samples and the overlapping of the broad peaks in NIR spectra, it is difficult to extract the temperature-dependent information from the spectra. Chemometric methods, therefore, have been developed for improving the spectral resolution and extracting the temperature-induced spectral information. In this review, recent advances in the studies of chemometric methods and the applications in resolution, quantitative and structural analysis of temperature-dependent NIR spectra were summarized.

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Authors and Affiliations

  1. Research Center for Analytical Sciences, College of Chemistry, Nankai University, Tianjin, 300071, China

    Xiaoyu Cui, Yan Sun, Wensheng Cai & Xueguang Shao

  2. Tianjin Key Laboratory of Biosensing and Molecular Recognition, Tianjin, 300071, China

    Xueguang Shao

  3. State Key Laboratory of Medicinal Chemical Biology, Tianjin, 300071, China

    Xueguang Shao

  4. Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin, 300071, China

    Xueguang Shao

  5. Xinjiang Laboratory of Native Medicinal and Edible Plant Resources Chemistry, College of Chemistry and Environmental Science, Kashgar University, Kashgar, 844006, China

    Xueguang Shao

Authors
  1. Xiaoyu Cui
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  2. Yan Sun
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  3. Wensheng Cai
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  4. Xueguang Shao
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Correspondence to Xueguang Shao.

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Cui, X., Sun, Y., Cai, W. et al. Chemometric methods for extracting information from temperature-dependent near-infrared spectra. Sci. China Chem. 62, 583–591 (2019). https://doi.org/10.1007/s11426-018-9398-2

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  • DOI: https://doi.org/10.1007/s11426-018-9398-2

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