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

Q3 Chemistry Journal of Spectral Imaging Pub Date : 2022-03-30 DOI:10.1255/jsi.2022.a3
Hannah Carruthers, D. Clark, F. Clarke, K. Faulds, D. Graham
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Abstract

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.
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制药用三维振动光谱化学图像的数据处理
振动光谱化学成像是制药行业评估药物样品中成分空间分布的有力工具。最近,振动光谱化学图谱与连续切片的结合提供了一种可视化片剂基质三维(3D)结构的方法。目前的片剂生产过程中存在公认的知识差距,特别是在最终药品中成分的大小、形状和分布方面。已知片剂的性能主要受制剂的物理和化学性质的影响。在这里,我们描述了从3D振动光谱化学图像中提取定量域大小和空间分布统计信息所需的数据处理方法。这为定量描述片剂基质的微观结构提供了一种手段,也是克服当前片剂生产过程中知识空白、优化配方开发的有力工具。
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来源期刊
Journal of Spectral Imaging
Journal of Spectral Imaging Chemistry-Analytical Chemistry
CiteScore
3.90
自引率
0.00%
发文量
11
审稿时长
22 weeks
期刊介绍: JSI—Journal of Spectral Imaging is the first journal to bring together current research from the diverse research areas of spectral, hyperspectral and chemical imaging as well as related areas such as remote sensing, chemometrics, data mining and data handling for spectral image data. We believe all those working in Spectral Imaging can benefit from the knowledge of others even in widely different fields. We welcome original research papers, letters, review articles, tutorial papers, short communications and technical notes.
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