title: Development of a comprehensive near infrared spectroscopy calibration model for rapid measurements of moisture content in multiple pharmaceutical products.
abstract: Near infrared (NIR) spectroscopy has been widely used for the determination of water content in a wide variety of samples. With few exceptions, all methods employ a calibration model developed and applicable for a single product. The current study describes a NIR method using a single, comprehensive calibration model to predict the water content in tablets containing different active pharmaceutical ingredients (API). The calibration model was developed for water content range of 2-13% (w/w) using tablets containing three different APIs and different formulation compositions. To develop a robust comprehensive model, individual calibration models were sequentially developed starting from a simple model for one product to including tablets from all three projects in the final model using partial least square analysis method. Data pretreatments and spectral region selections were performed during the method development to optimize the number of factors and the correlation coefficients for cross-validation and prediction by the comprehensive model. The model reliably predicted the water content in tablet samples of these three products, and can be updated for water measurements of new drug products by adding to the model two samples of the new product for calibration purpose.
authors.affiliation: Department of Chemistry, Iowa State University, 1605 Gilman Hall, Ames, IA 50011, United States of America.
authors.forename: Dipak
authors.initials: D
authors.lastname: Mainali
authors.affiliation: Small Molecules Analytical Chemistry and Quality Control, Genentech, 1 DNA Way, South San Francisco, CA 94080, United States of America. Electronic address: li.jane@gene.com.
authors.forename: Jane
authors.initials: J
authors.lastname: Li
authors.affiliation: Small Molecules Analytical Chemistry and Quality Control, Genentech, 1 DNA Way, South San Francisco, CA 94080, United States of America.
authors.forename: Peter
authors.initials: P
authors.lastname: Yehl
authors.affiliation: Small Molecules Analytical Chemistry and Quality Control, Genentech, 1 DNA Way, South San Francisco, CA 94080, United States of America.
authors.forename: Nicholas
authors.initials: N
authors.lastname: Chetwyn
mesh_terms: D002138:Calibration; D008956:Models, Chemical; D004364:Pharmaceutical Preparations / Q000032:analysis*; D019265:Spectroscopy, Near-Infrared / Q000379:methods*; D014867:Water / Q000032:analysis
chemical_list: D004364:Pharmaceutical Preparations; D014867:Water
keywords: Comprehensive model; Moisture content; Near infrared spectroscopy; Pharmaceutical products; Water analysis