Investigation on concentration detection of turbid solution based on hemisphere sample cell and multidimensional spectroscopy.

Spectrochim Acta A Mol Biomol Spectrosc

College of Information Science and Technology, Zhejiang Sci-Tech University, Hangzhou, 310018, NO.928 2nd Street Qiantang District, China.

Published: January 2025

AI Article Synopsis

  • A new hemisphere sample cell was developed along with a multidimensional spectroscopy system that improves the detection of turbid solutions by capturing both absorption and scattering information simultaneously.
  • Monte Carlo simulations helped analyze how the shape of sample cells affects the distribution of transmission light intensity, revealing that the hemisphere design provides more detailed scattering data.
  • Testing with various concentrations of intralipid-20% solution showed that using two-dimensional light intensity data in the models resulted in a 39.96% reduction in error and a 0.332% increase in correlation, demonstrating a significant improvement in accuracy for detecting concentrations in complex mixtures.

Article Abstract

The study developed a hemisphere sample cell and constructed a multidimensional spectroscopy acquisition system to enhance the accuracy of detecting turbid solution with scattering properties. The system simultaneously captures absorption and scattering information from the tested samples. Monte Carlo simulation was employed to model the transmission light intensity distribution data from sample cells of various shapes. It was found that the hemisphere sample cell increases the dimensionality of transmission light intensity information and enables the acquisition of more scattering-related data. Furthermore, 46 samples of intralipid-20% solution with varying concentrations were examined. Models were constructed using partial least squares (PLS) regression with one-dimensional and two-dimensional light intensity distribution data. The results indicate that the model using two-dimensional light intensity distribution data significantly outperforms the model using one-dimensional data, reducing the root mean square error by 39.96% and increasing the correlation coefficient by 0.332%. Experimental results demonstrate that the multidimensional spectroscopic modeling method employing the hemisphere sample cell can significantly enhance the accuracy and speed of detecting chemical composition concentrations in turbid solution.

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Source
http://dx.doi.org/10.1016/j.saa.2024.125054DOI Listing

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