In situ monitoring of antisolvent addition crystallization with principal components analysis of Raman spectra

Javier A. Falcon, Kris A. Berglund

Research output: Contribution to journalArticle

  • 26 Citations

Abstract

Fiber optic Raman spectroscopy was used for in situ monitoring of antisolvent addition crystallization of progesterone. Raman spectral features of the solute and the antisolvent were subjected to principal components analysis (PCA) to attempt to obtain information that is not readily apparent from the raw spectral data. For the system utilized, PCA was able to distinguish spectral features from the solute in solution, the solute crystals, and the antisolvent. Furthermore, PCA was capable of detecting subtle changes in the spectral data (as the addition of antisolvent progressed) that could be used as a warning for the onset of crystallization. The current study demonstrates the advantages that can be gained by combining PCA with Raman spectroscopy for monitoring crystallizations in situ.

LanguageEnglish (US)
Pages457-463
Number of pages7
JournalCrystal Growth and Design
Volume4
Issue number3
DOIs
StatePublished - May 2004

Profile

principal components analysis
Crystallization
Principal component analysis
Raman scattering
crystallization
Raman spectra
solutes
Monitoring
Raman spectroscopy
warning
Fiber optics
Progesterone
fiber optics
Crystals
crystals

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

Cite this

In situ monitoring of antisolvent addition crystallization with principal components analysis of Raman spectra. / Falcon, Javier A.; Berglund, Kris A.

In: Crystal Growth and Design, Vol. 4, No. 3, 05.2004, p. 457-463.

Research output: Contribution to journalArticle

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