Detecting phase separation of freeze-dried binary amorphous systems using pair-wise distribution function and multivariate data analysis

Research output: Contribution to journalJournal articleResearchpeer-review

Standard

Detecting phase separation of freeze-dried binary amorphous systems using pair-wise distribution function and multivariate data analysis. / Chieng, Norman; Trnka, Hjalte; Boetker, Johan; Pikal, Michael; Rantanen, Jukka; Grohganz, Holger.

In: International Journal of Pharmaceutics, Vol. 454, No. 1, 18.07.2013, p. 167-173.

Research output: Contribution to journalJournal articleResearchpeer-review

Harvard

Chieng, N, Trnka, H, Boetker, J, Pikal, M, Rantanen, J & Grohganz, H 2013, 'Detecting phase separation of freeze-dried binary amorphous systems using pair-wise distribution function and multivariate data analysis', International Journal of Pharmaceutics, vol. 454, no. 1, pp. 167-173. https://doi.org/10.1016/j.ijpharm.2013.07.030

APA

Chieng, N., Trnka, H., Boetker, J., Pikal, M., Rantanen, J., & Grohganz, H. (2013). Detecting phase separation of freeze-dried binary amorphous systems using pair-wise distribution function and multivariate data analysis. International Journal of Pharmaceutics, 454(1), 167-173. https://doi.org/10.1016/j.ijpharm.2013.07.030

Vancouver

Chieng N, Trnka H, Boetker J, Pikal M, Rantanen J, Grohganz H. Detecting phase separation of freeze-dried binary amorphous systems using pair-wise distribution function and multivariate data analysis. International Journal of Pharmaceutics. 2013 Jul 18;454(1):167-173. https://doi.org/10.1016/j.ijpharm.2013.07.030

Author

Chieng, Norman ; Trnka, Hjalte ; Boetker, Johan ; Pikal, Michael ; Rantanen, Jukka ; Grohganz, Holger. / Detecting phase separation of freeze-dried binary amorphous systems using pair-wise distribution function and multivariate data analysis. In: International Journal of Pharmaceutics. 2013 ; Vol. 454, No. 1. pp. 167-173.

Bibtex

@article{164cbba8086a4991979bae873e91b5a1,
title = "Detecting phase separation of freeze-dried binary amorphous systems using pair-wise distribution function and multivariate data analysis",
abstract = "The purpose of this study is to investigate the use of multivariate data analysis for powder X-ray diffraction-pair-wise distribution function (PXRD-PDF) data to detect phase separation in freeze-dried binary amorphous systems. Polymer-polymer and polymer-sugar binary systems at various ratios were freeze-dried. All samples were analyzed by PXRD, transformed to PDF and analyzed by principal component analysis (PCA). These results were validated by differential scanning calorimetry (DSC) through characterization of glass transition of the maximally freeze-concentrate solute (Tg'). Analysis of PXRD-PDF data using PCA provides a more clear 'miscible' or 'phase separated' interpretation through the distribution pattern of samples on a score plot presentation compared to residual plot method. In a phase separated system, samples were found to be evenly distributed around the theoretical PDF profile. For systems that were miscible, a clear deviation of samples away from the theoretical PDF profile was observed. Moreover, PCA analysis allows simultaneous analysis of replicate samples. Comparatively, the phase behavior analysis from PXRD-PDF-PCA method was in agreement with the DSC results. Overall, the combined PXRD-PDF-PCA approach improves the clarity of the PXRD-PDF results and can be used as an alternative explorative data analytical tool in detecting phase separation in freeze-dried binary amorphous systems.",
author = "Norman Chieng and Hjalte Trnka and Johan Boetker and Michael Pikal and Jukka Rantanen and Holger Grohganz",
note = "Copyright {\circledC} 2013 Elsevier B.V. All rights reserved.",
year = "2013",
month = "7",
day = "18",
doi = "10.1016/j.ijpharm.2013.07.030",
language = "English",
volume = "454",
pages = "167--173",
journal = "International Journal of Pharmaceutics",
issn = "0378-5173",
publisher = "Elsevier",
number = "1",

}

RIS

TY - JOUR

T1 - Detecting phase separation of freeze-dried binary amorphous systems using pair-wise distribution function and multivariate data analysis

AU - Chieng, Norman

AU - Trnka, Hjalte

AU - Boetker, Johan

AU - Pikal, Michael

AU - Rantanen, Jukka

AU - Grohganz, Holger

N1 - Copyright © 2013 Elsevier B.V. All rights reserved.

PY - 2013/7/18

Y1 - 2013/7/18

N2 - The purpose of this study is to investigate the use of multivariate data analysis for powder X-ray diffraction-pair-wise distribution function (PXRD-PDF) data to detect phase separation in freeze-dried binary amorphous systems. Polymer-polymer and polymer-sugar binary systems at various ratios were freeze-dried. All samples were analyzed by PXRD, transformed to PDF and analyzed by principal component analysis (PCA). These results were validated by differential scanning calorimetry (DSC) through characterization of glass transition of the maximally freeze-concentrate solute (Tg'). Analysis of PXRD-PDF data using PCA provides a more clear 'miscible' or 'phase separated' interpretation through the distribution pattern of samples on a score plot presentation compared to residual plot method. In a phase separated system, samples were found to be evenly distributed around the theoretical PDF profile. For systems that were miscible, a clear deviation of samples away from the theoretical PDF profile was observed. Moreover, PCA analysis allows simultaneous analysis of replicate samples. Comparatively, the phase behavior analysis from PXRD-PDF-PCA method was in agreement with the DSC results. Overall, the combined PXRD-PDF-PCA approach improves the clarity of the PXRD-PDF results and can be used as an alternative explorative data analytical tool in detecting phase separation in freeze-dried binary amorphous systems.

AB - The purpose of this study is to investigate the use of multivariate data analysis for powder X-ray diffraction-pair-wise distribution function (PXRD-PDF) data to detect phase separation in freeze-dried binary amorphous systems. Polymer-polymer and polymer-sugar binary systems at various ratios were freeze-dried. All samples were analyzed by PXRD, transformed to PDF and analyzed by principal component analysis (PCA). These results were validated by differential scanning calorimetry (DSC) through characterization of glass transition of the maximally freeze-concentrate solute (Tg'). Analysis of PXRD-PDF data using PCA provides a more clear 'miscible' or 'phase separated' interpretation through the distribution pattern of samples on a score plot presentation compared to residual plot method. In a phase separated system, samples were found to be evenly distributed around the theoretical PDF profile. For systems that were miscible, a clear deviation of samples away from the theoretical PDF profile was observed. Moreover, PCA analysis allows simultaneous analysis of replicate samples. Comparatively, the phase behavior analysis from PXRD-PDF-PCA method was in agreement with the DSC results. Overall, the combined PXRD-PDF-PCA approach improves the clarity of the PXRD-PDF results and can be used as an alternative explorative data analytical tool in detecting phase separation in freeze-dried binary amorphous systems.

U2 - 10.1016/j.ijpharm.2013.07.030

DO - 10.1016/j.ijpharm.2013.07.030

M3 - Journal article

C2 - 23872303

VL - 454

SP - 167

EP - 173

JO - International Journal of Pharmaceutics

JF - International Journal of Pharmaceutics

SN - 0378-5173

IS - 1

ER -

ID: 49098134