Standardless quantification of crystalline polymorphic mixtures using the component decomposition method

Abstract We developed a method called “component decomposition” to extract the pattern of each component of the sample from the multiple powder X-ray diffraction data. Using the component decomposition and the Direct Derivation Method ™ , we analyze the behavior of phase transitions of trehalose during the changes in temperature and humidity. Because we do not require databases or standard samples, this method is a powerful tool for the quantification of polymorphs in samples containing multiple polymorphs.

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Publication Details

Journal
Powder Diffraction
Published
2025-06-20
DOI
https://doi.org/10.1017/s0885715625100857
Primary Topic
X-ray Diffraction in Crystallography
Type
article
Field-Weighted Citation Impact
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article

Standardless quantification of crystalline polymorphic mixtures using the component decomposition method

Takumi Ohta, K. KIHARA, Akito Sasaki
Powder Diffraction
X-ray Diffraction in Crystallography
article

Standardless quantification of crystalline polymorphic mixtures using the component decomposition method

Takumi Ohta, K. KIHARA, Akito Sasaki
article en

Abstract

Abstract We developed a method called “component decomposition” to extract the pattern of each component of the sample from the multiple powder X-ray diffraction data. Using the component decomposition and the Direct Derivation Method ™ , we analyze the behavior of phase transitions of trehalose during the changes in temperature and humidity. Because we do not require databases or standard samples, this method is a powerful tool for the quantification of polymorphs in samples containing multiple polymorphs.

Powder DiffractionVol. 40(3)
Rigaku (Japan) (JP), Seikagaku Corporation (Japan) (JP)
Openalex Percentile: Top 90%
X-ray Diffraction in Crystallography
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