title: Integrating X-ray fluorescence and infrared imaging microspectroscopies for comprehensive characterization of an acetaminophen model pharmaceutical.
abstract: The integration of full spectral images using the complementary microspectroscopic imaging techniques X-ray fluorescence and Fourier transform infrared is demonstrated. This effort surpasses previous work in that a single chemometric software package is used to elicit chemical information from the integrated spectroscopic images. Integrating these two complementary spectroscopic methods provides both elemental and molecular spatial distribution within a specimen. The critical aspect in this work is using full spectral maps from each pixel within the image and subsequent processing with chemometric tools to provide integrated chemical information. This integration enables a powerful approach to more comprehensive materials characterization. Issues addressed include sample registration and beam penetration depth and how each affects post-processing. An inorganic salt and an acetaminophen pharmaceutical model mixture demonstrate the power of integrating these techniques with chemometric software.
authors.affiliation: Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA.
authors.forename: Brian M
authors.initials: BM
authors.lastname: Patterson
authors.forename: George J
authors.initials: GJ
authors.lastname: Havrilla
mesh_terms: D000082:Acetaminophen / Q000737:chemistry*; D000465:Algorithms; D004353:Drug Evaluation, Preclinical / Q000379:methods*; D012984:Software; D013050:Spectrometry, Fluorescence / Q000379:methods; D013052:Spectrometry, X-Ray Emission / Q000379:methods*; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*; D018511:Systems Integration
chemical_list: D000082:Acetaminophen