title: Data processing of vibrational chemical imaging for pharmaceutical applications.
abstract: Vibrational spectroscopy (MIR, NIR and Raman) based hyperspectral imaging is one of the most powerful tools to analyze pharmaceutical preparation. Indeed, it combines the advantages of vibrational spectroscopy to imaging techniques and allows therefore the visualization of distribution of compounds or crystallization processes. However, these techniques provide a huge amount of data that must be processed to extract the relevant information. This review presents fundamental concepts of hyperspectral imaging, the basic theory of the most used chemometric tools used to pre-process, process and post-process the generated data. The last part of the present paper focuses on pharmaceutical applications of hyperspectral imaging and highlights the data processing approaches to enable the reader making the best choice among the different tools available.
authors.affiliation: University of Liege (ULg), Department of Pharmacy, CIRM, Laboratory of Analytical Chemistry, CHU, B36, 4000 Liege, Belgium. Electronic address: pysacre@ulg.ac.be.
authors.forename: P-Y
authors.initials: PY
authors.lastname: Sacré
authors.affiliation: University of Liege (ULg), Department of Pharmacy, CIRM, Laboratory of Analytical Chemistry, CHU, B36, 4000 Liege, Belgium.
authors.forename: C
authors.initials: C
authors.lastname: De Bleye
authors.affiliation: University of Liege (ULg), Department of Pharmacy, CIRM, Laboratory of Analytical Chemistry, CHU, B36, 4000 Liege, Belgium.
authors.forename: P-F
authors.initials: PF
authors.lastname: Chavez
authors.affiliation: University of Liege (ULg), Department of Pharmacy, CIRM, Laboratory of Analytical Chemistry, CHU, B36, 4000 Liege, Belgium.
authors.forename: L
authors.initials: L
authors.lastname: Netchacovitch
authors.affiliation: University of Liege (ULg), Department of Pharmacy, CIRM, Laboratory of Analytical Chemistry, CHU, B36, 4000 Liege, Belgium.
authors.forename: Ph
authors.initials: P
authors.lastname: Hubert
authors.affiliation: University of Liege (ULg), Department of Pharmacy, CIRM, Laboratory of Analytical Chemistry, CHU, B36, 4000 Liege, Belgium.
authors.forename: E
authors.initials: E
authors.lastname: Ziemons
mesh_terms: D002626:Chemistry, Pharmaceutical / Q000379:methods; D001330:Electronic Data Processing / Q000379:methods*; D004364:Pharmaceutical Preparations / Q000737:chemistry*; D013057:Spectrum Analysis / Q000379:methods*; D013678:Technology, Pharmaceutical / Q000379:methods*; D014732:Vibration
chemical_list: D004364:Pharmaceutical Preparations
keywords: Chemometrics; Hyperspectral imaging; Infrared; Near-infrared; Raman