title: Applications of Quantum Cascade Laser Spectroscopy in the Analysis of Pharmaceutical Formulations.
abstract: Quantum cascade laser spectroscopy was used to quantify active pharmaceutical ingredient content in a model formulation. The analyses were conducted in non-contact mode by mid-infrared diffuse reflectance. Measurements were carried out at a distance of 15 cm, covering the spectral range 1000-1600 cm(-1) Calibrations were generated by applying multivariate analysis using partial least squares models. Among the figures of merit of the proposed methodology are the high analytical sensitivity equivalent to 0.05% active pharmaceutical ingredient in the formulation, high repeatability (2.7%), high reproducibility (5.4%), and low limit of detection (1%). The relatively high power of the quantum-cascade-laser-based spectroscopic system resulted in the design of detection and quantification methodologies for pharmaceutical applications with high accuracy and precision that are comparable to those of methodologies based on near-infrared spectroscopy, attenuated total reflection mid-infrared Fourier transform infrared spectroscopy, and Raman spectroscopy.
authors: ALERT DHS Center of Excellence for Explosives Research, Department of Chemistry, University of Puerto Rico, USA School of Basic and Biomedical Sciences, Universidad Simón Bolívar, Barranquilla, Colombia.
authors: Nataly J
authors: NJ
authors: Galán-Freyle
authors: ALERT DHS Center of Excellence for Explosives Research, Department of Chemistry, University of Puerto Rico, USA Environmental Engineering Program, Vice-Rectory for Research, ECCI University, Bogotá, D.C., Colombia.
authors: Leonardo C
authors: LC
authors: Pacheco-Londoño
authors: Department of Chemistry, University of Puerto Rico, Mayagüez, USA.
authors: Andrés D
authors: AD
authors: Román-Ospino
authors: ALERT DHS Center of Excellence for Explosives Research, Department of Chemistry, University of Puerto Rico, USA samuel.hernandez3@upr.edu.
authors: Samuel P
authors: SP
authors: Hernandez-Rivera
mesh_terms: D002138:Calibration; D054023:Lasers, Semiconductor; D016018:Least-Squares Analysis; D057230:Limit of Detection; D004364:Pharmaceutical Preparations / Q000032:analysis* / Q000737:chemistry; D015203:Reproducibility of Results; D019265:Spectroscopy, Near-Infrared / Q000379:methods*
chemical_list: D004364:Pharmaceutical Preparations
keywords: Active pharmaceutical ingredient; mid-infrared spectroscopy; partial least squares regression; pharmaceutical formulation; quantum cascade lasers