IR spectroscopy together with multivariate data analysis as a process analytical tool for in-line monitoring of crystallization process and solid-state analysis of crystalline product

Research output: Contribution to journalJournal articlepeer-review

Standard

IR spectroscopy together with multivariate data analysis as a process analytical tool for in-line monitoring of crystallization process and solid-state analysis of crystalline product. / Pöllänen, Kati; Häkkinen, Antti; Reinikainen, Satu-Pia; Rantanen, Jukka; Karjalainen, Milja; Louhi-Kultanen, Marjatta; Nyström, Lars.

In: Journal of Pharmaceutical and Biomedical Analysis, Vol. 38, No. 2, 15.06.2005, p. 275-84.

Research output: Contribution to journalJournal articlepeer-review

Harvard

Pöllänen, K, Häkkinen, A, Reinikainen, S-P, Rantanen, J, Karjalainen, M, Louhi-Kultanen, M & Nyström, L 2005, 'IR spectroscopy together with multivariate data analysis as a process analytical tool for in-line monitoring of crystallization process and solid-state analysis of crystalline product', Journal of Pharmaceutical and Biomedical Analysis, vol. 38, no. 2, pp. 275-84. https://doi.org/10.1016/j.jpba.2005.01.009

APA

Pöllänen, K., Häkkinen, A., Reinikainen, S-P., Rantanen, J., Karjalainen, M., Louhi-Kultanen, M., & Nyström, L. (2005). IR spectroscopy together with multivariate data analysis as a process analytical tool for in-line monitoring of crystallization process and solid-state analysis of crystalline product. Journal of Pharmaceutical and Biomedical Analysis, 38(2), 275-84. https://doi.org/10.1016/j.jpba.2005.01.009

Vancouver

Pöllänen K, Häkkinen A, Reinikainen S-P, Rantanen J, Karjalainen M, Louhi-Kultanen M et al. IR spectroscopy together with multivariate data analysis as a process analytical tool for in-line monitoring of crystallization process and solid-state analysis of crystalline product. Journal of Pharmaceutical and Biomedical Analysis. 2005 Jun 15;38(2):275-84. https://doi.org/10.1016/j.jpba.2005.01.009

Author

Pöllänen, Kati ; Häkkinen, Antti ; Reinikainen, Satu-Pia ; Rantanen, Jukka ; Karjalainen, Milja ; Louhi-Kultanen, Marjatta ; Nyström, Lars. / IR spectroscopy together with multivariate data analysis as a process analytical tool for in-line monitoring of crystallization process and solid-state analysis of crystalline product. In: Journal of Pharmaceutical and Biomedical Analysis. 2005 ; Vol. 38, No. 2. pp. 275-84.

Bibtex

@article{b053d66ab1b74dafaec6a84e5fbc1cdf,
title = "IR spectroscopy together with multivariate data analysis as a process analytical tool for in-line monitoring of crystallization process and solid-state analysis of crystalline product",
abstract = "Crystalline product should exist in optimal polymorphic form. Robust and reliable method for polymorph characterization is of great importance. In this work, infra red (IR) spectroscopy is applied for monitoring of crystallization process in situ. The results show that attenuated total reflection Fourier transform infra red (ATR-FTIR) spectroscopy provides valuable information on process, which can be utilized for more controlled crystallization processes. Diffuse reflectance Fourier transform infra red (DRIFT-IR) is applied for polymorphic characterization of crystalline product using X-ray powder diffraction (XRPD) as a reference technique. In order to fully utilize DRIFT, the application of multivariate techniques are needed, e.g., multivariate statistical process control (MSPC), principal component analysis (PCA) and partial least squares (PLS). The results demonstrate that multivariate techniques provide the powerful tool for rapid evaluation of spectral data and also enable more reliable quantification of polymorphic composition of samples being mixtures of two or more polymorphs. This opens new perspectives for understanding crystallization processes and increases the level of safety within the manufacture of pharmaceutics.",
keywords = "Algorithms, Crystallization, Least-Squares Analysis, Multivariate Analysis, Pharmaceutical Preparations, Spectrophotometry, Infrared, Spectroscopy, Fourier Transform Infrared, Technology, Pharmaceutical, X-Ray Diffraction",
author = "Kati P{\"o}ll{\"a}nen and Antti H{\"a}kkinen and Satu-Pia Reinikainen and Jukka Rantanen and Milja Karjalainen and Marjatta Louhi-Kultanen and Lars Nystr{\"o}m",
year = "2005",
month = jun,
day = "15",
doi = "10.1016/j.jpba.2005.01.009",
language = "English",
volume = "38",
pages = "275--84",
journal = "Journal of Pharmaceutical and Biomedical Analysis",
issn = "0731-7085",
publisher = "Elsevier",
number = "2",

}

RIS

TY - JOUR

T1 - IR spectroscopy together with multivariate data analysis as a process analytical tool for in-line monitoring of crystallization process and solid-state analysis of crystalline product

AU - Pöllänen, Kati

AU - Häkkinen, Antti

AU - Reinikainen, Satu-Pia

AU - Rantanen, Jukka

AU - Karjalainen, Milja

AU - Louhi-Kultanen, Marjatta

AU - Nyström, Lars

PY - 2005/6/15

Y1 - 2005/6/15

N2 - Crystalline product should exist in optimal polymorphic form. Robust and reliable method for polymorph characterization is of great importance. In this work, infra red (IR) spectroscopy is applied for monitoring of crystallization process in situ. The results show that attenuated total reflection Fourier transform infra red (ATR-FTIR) spectroscopy provides valuable information on process, which can be utilized for more controlled crystallization processes. Diffuse reflectance Fourier transform infra red (DRIFT-IR) is applied for polymorphic characterization of crystalline product using X-ray powder diffraction (XRPD) as a reference technique. In order to fully utilize DRIFT, the application of multivariate techniques are needed, e.g., multivariate statistical process control (MSPC), principal component analysis (PCA) and partial least squares (PLS). The results demonstrate that multivariate techniques provide the powerful tool for rapid evaluation of spectral data and also enable more reliable quantification of polymorphic composition of samples being mixtures of two or more polymorphs. This opens new perspectives for understanding crystallization processes and increases the level of safety within the manufacture of pharmaceutics.

AB - Crystalline product should exist in optimal polymorphic form. Robust and reliable method for polymorph characterization is of great importance. In this work, infra red (IR) spectroscopy is applied for monitoring of crystallization process in situ. The results show that attenuated total reflection Fourier transform infra red (ATR-FTIR) spectroscopy provides valuable information on process, which can be utilized for more controlled crystallization processes. Diffuse reflectance Fourier transform infra red (DRIFT-IR) is applied for polymorphic characterization of crystalline product using X-ray powder diffraction (XRPD) as a reference technique. In order to fully utilize DRIFT, the application of multivariate techniques are needed, e.g., multivariate statistical process control (MSPC), principal component analysis (PCA) and partial least squares (PLS). The results demonstrate that multivariate techniques provide the powerful tool for rapid evaluation of spectral data and also enable more reliable quantification of polymorphic composition of samples being mixtures of two or more polymorphs. This opens new perspectives for understanding crystallization processes and increases the level of safety within the manufacture of pharmaceutics.

KW - Algorithms

KW - Crystallization

KW - Least-Squares Analysis

KW - Multivariate Analysis

KW - Pharmaceutical Preparations

KW - Spectrophotometry, Infrared

KW - Spectroscopy, Fourier Transform Infrared

KW - Technology, Pharmaceutical

KW - X-Ray Diffraction

U2 - 10.1016/j.jpba.2005.01.009

DO - 10.1016/j.jpba.2005.01.009

M3 - Journal article

C2 - 15925219

VL - 38

SP - 275

EP - 284

JO - Journal of Pharmaceutical and Biomedical Analysis

JF - Journal of Pharmaceutical and Biomedical Analysis

SN - 0731-7085

IS - 2

ER -

ID: 140622403