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A new scattering correction method of different spectroscopic analysis for assessing complex mixtures
Long Li1, Yankun Peng1, Yongyu Li1
1College of Engineering, China Agricultural University, Beijing, 100083, China.
Analytica Chimica Acta
|October 6, 2019
Summary
New scattering correction methods effectively address physical property variations in complex mixtures. These techniques improve the accuracy of quantitative spectroscopic analysis by mitigating light scattering effects.
Area of Science:
- Spectroscopy
- Chemometrics
- Analytical Chemistry
Background:
- Physical properties like particle size and compactness significantly impact spectral signals in complex mixtures.
- Multivariate linear calibration methods, such as partial least-squares (PLS), struggle to model or correct these confounding effects.
- This leads to reduced predictive accuracy in quantitative spectroscopic analysis.
Purpose of the Study:
- To develop novel scattering correction methods to mitigate the detrimental effects of light scattering on spectral data.
- To improve the accuracy of quantitative spectroscopic analysis for complex mixtures.
- To address limitations of existing multivariate calibration methods in handling physical property variations.
Main Methods:
- Proposed three new methods to estimate additive and multiplicative parameters accounting for light scattering.
- Developed methods to estimate the additive coefficient based on wavelength-dependent and independent assumptions.
- Utilized a spectral ratio method for multiplicative parameter elimination after additive coefficient correction.
Main Results:
- Demonstrated successful elimination of additive effects using different methods tailored to sample types.
- Showcased significant improvement in the quantitative spectroscopic analysis of complex mixture samples.
- Validated the proposed methods on apple, meat, and powder mixture spectral datasets.
Conclusions:
- The proposed scattering correction methods effectively mitigate the influence of additive and multiplicative effects.
- Combining additive effect elimination with the spectral ratio method enables accurate quantitative spectroscopic analysis of complex mixtures.
- These advancements offer a robust solution for spectral quantitative analysis in the presence of physical property variations.
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