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

Javier A. Falcon, Kris A. Berglund

    Research output: Research - peer-reviewArticle

    • 25 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

    Crystallization
    Principal component analysis
    Raman scattering
    Monitoring
    principal components analysis
    crystallization
    Raman spectra
    solutes
    Raman spectroscopy
    Fiber optics
    Progesterone
    Crystals
    warning
    fiber optics
    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: Research - peer-reviewArticle

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