title: Implementation of enhanced correlation maps in near infrared chemical images: application in pharmaceutical research.
abstract: Recent developments in Hyperspectral Imaging equipment have made possible the use of this analytical technique for fast scanning of sample surfaces. This technique has turned out to be especially useful in Pharmacy, where information about the distribution of the components in the surface of a tablet can be obtained. One particular application of Hyperspectral Chemical Imaging is the search for singularities inside pharmaceutical tablets, e.g. coating defects. Nevertheless, one problem has to be faced: how to analyze a sample without any previous knowledge about it, or having only the minimum information about the tablet. In this work a new methodology, based on correlation coefficients, is introduced to obtain valuable information about one Hyperspectral Image (detection of defects, punctual contaminants, etc.) without any previous knowledge. The methodology combines Principal Component Analysis (PCA), correlation coefficient between one specific pixel included in the image and the rest of the image; and a new enhanced contrast function to obtain more selective chemical and spatial information about the image. To illustrate the applicability of the proposed methodology, real tablets of ibuprofen have been studied. The proposed methodology is presented as a control technique to detect batch variability, defects in final tablets and punctual contaminants, being a potential supplementary tool for quality controls. In addition, the usefulness of the proposed methodology is not exclusive to NIR-CI devices, but to any hyperspectral and multivariate image system.
authors: Departament de Química, Facultat de Ciències, Universitat Autònoma de Barcelona, 08193 Bellaterra, Barcelona, Spain.
authors: Carlos
authors: C
authors: Cairós
authors: José Manuel
authors: JM
authors: Amigo
authors: Robert
authors: R
authors: Watt
authors: Jordi
authors: J
authors: Coello
authors: Santiago
authors: S
authors: Maspoch
mesh_terms: D007052:Ibuprofen / Q000737:chemistry; D004364:Pharmaceutical Preparations / Q000737:chemistry*; D025341:Principal Component Analysis; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*; D013499:Surface Properties; D013607:Tablets
chemical_list: D004364:Pharmaceutical Preparations; D013607:Tablets; D007052:Ibuprofen