Journal of Spectral Imaging,   Volume 11   Article ID a3   (2022)

Peer reviewed Letter

Data processing of three-dimensional vibrational spectroscopic chemical images for pharmaceutical applications

  • Hannah Carruthers
  • Don Clark
  • Fiona C. Clarke
  • Karen Faulds
  • Duncan Graham  
University of Strathclyde, Department of Pure and Applied Chemistry, George Street, Glasgow, G1 1RD, UK and Pfizer Ltd, Ramsgate Road, Sandwich, Kent CT19 9NJ, UK
[email protected]
 https://orcid.org/0000-0003-1702-4351
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Pfizer Ltd, Ramsgate Road, Sandwich, Kent CT19 9NJ, UK
[email protected]
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Pfizer Ltd, Ramsgate Road, Sandwich, Kent CT19 9NJ, UK
[email protected]
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University of Strathclyde, Department of Pure and Applied Chemistry, George Street, Glasgow, G1 1RD, UK
[email protected]
 https://orcid.org/0000-0002-5567-7399
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 Corresponding Author
University of Strathclyde, Department of Pure and Applied Chemistry, George Street, Glasgow, G1 1RD, UK
[email protected]
 https://orcid.org/0000-0002-6079-2105
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Vibrational spectroscopic chemical imaging is a powerful tool in the pharmaceutical industry to assess the spatial distribution of components within pharmaceutical samples. Recently, the combination of vibrational spectroscopic chemical mapping with serial sectioning has provided a means to visualise the three-dimensional (3D) structure of a tablet matrix. There are recognised knowledge gaps in current tablet manufacturing processes, particularly regarding the size, shape and distribution of components within the final drug product. The performance of pharmaceutical tablets is known to be primarily influenced by the physical and chemical properties of the formulation. Here, we describe the data processing methods required to extract quantitative domain size and spatial distribution statistics from 3D vibrational spectroscopic chemical images. This provides a means to quantitatively describe the microstructure of a tablet matrix and is a powerful tool to overcome knowledge gaps in current tablet manufacturing processes, optimising formulation development.

Keywords: 3D imaging, Raman, near infrared, infrared, chemical imaging, FIJI, ImageJ, image processing, image analysis, 3D

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