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March 28, 2026The Chemical Educator0 citations

Precision in Multi-Wavelength Spectroscopic Analysis with Classical-Least-Squares Regression

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MCMiguel A CabezónAOAlejandro César Olivieri

Key Points

  • This research aims to review methods for determining analyte concentrations using absorbance at various wavelengths while considering prediction uncertainties.
  • Reviewed classical-least-squares regression techniques for multi-wavelength spectroscopic analysis.
  • Analyzed spectra of potassium permanganate and potassium dichromate mixtures.
  • Calculated concentrations with associated uncertainty estimates for the mixtures.
  • Developed an equation for estimating standard concentration error similar to the univariate case.
  • Demonstrated how prediction uncertainty can impact concentration calculations in spectral analysis.

Abstract

The determination of the concentrations of several analytes in a sample by measuring its absorbance at many different wavelengths is reviewed, with specific emphasis on prediction uncertainty. The standard concentration error can be estimated by an equation resembling the well-known expression for the univariate case. Spectra for aqueous mixtures of potassium permanganate and potassium dichromate at a suitable pH are studied, and the concentrations are calculated including the proper uncertainty estimates.

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Cite This Study

Cabezón et al. (2006) studied this question.

synapsesocial.com/papers/69c771f08bbfbc51511e20a8https://doi.org/10.1333/s00897061081a
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