Setting local rank constraints by orthogonal projections for image resolution analysis: Application to the determination of a low dose pharmaceutical compound |
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Authors: | Mathieu Boiret Anna de Juan Nathalie Gorretta Yves-Michel Ginot Jean-Michel Roger |
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Affiliation: | 1. Technologie Servier, Orléans, France;2. Grup de Quimiometria, Dept. Química Analítica, Universitat de Barcelona, Spain;3. IRSTEA, UMR ITAP, 361, Montpellier, France |
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Abstract: | Raman chemical imaging provides chemical and spatial information about pharmaceutical drug product. By using resolution methods on acquired spectra, the objective is to calculate pure spectra and distribution maps of image compounds. With multivariate curve resolution-alternating least squares, constraints are used to improve the performance of the resolution and to decrease the ambiguity linked to the final solution. Non negativity and spatial local rank constraints have been identified as the most powerful constraints to be used. |
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Keywords: | Multivariate curve resolution-alternating least squares Raman microscopy Orthogonal projections Low dose compound |
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