Low-content quantification in powders using Raman spectroscopy: a facile chemometric approach to sub 0.1% limits of detection.
- Li, Boyan
- Calvet, Amandine
- Ryder, Alan G.
- Casamayou-Boucau, Yannick
- Morris, Cheryl
Publication date
December 2015
DOI Publisher
American Chemical Society (ACS) Journal
Analytical Chemistry Language
EnglishAbstract
A robust and accurate analytical methodology for low-content (<0.1%) quantification in the solid-state using Raman spectroscopy, sub-sampling, and chemometrics was demonstrated using a piracetam–proline model. The method involved a 5-step process: collection of relatively large number of spectra (8410) from each sample by Raman mapping, meticulous data pretreatment to remove spectral artefacts, use of a 0–100% concentration range partial least squares (PLS) regression model to estimate concentration at each pixel, use of a more-accurate, reduced concentration range PLS model to accurately calculate analyte concentration at each pixel, and finally statistical analysis of all 8000+ concentration predictions to produce an accurate overa...
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