title: Figures of merit for the determination of the polymorphic purity of carbamazepine by infrared spectroscopy and multivariate calibration.
abstract: Polymorphism is an important property in the quality control of pharmaceutical products. In this regard, partial least squares regression and the net analytical signal were used to build and validate a multivariate calibration model using diffuse reflectance infrared spectroscopy in the region of 900-1100 cm(-1) for the determination of the polymorphic purity of carbamazepine. Physical mixtures of the polymorphs were made by weight, from 80 to 100% (w/w) form III mixed with form I. Figures of merit, such as sensitivity, analytical sensitivity, selectivity, confidence limits, precision (mean, repeatability, intermediate), accuracy, and signal-to-noise ratio were calculated. Feasible results were obtained with maximum absolute error of 2% and an average error of 0.53%, indicating that the proposed methodology can be used by the pharmaceutical industry as an alternative to the X-ray diffraction (United States Pharmacopoeiamethod).
authors.affiliation: Instituto de Química, Universidade Estadual de Campinas, Caixa Postal 6154, 13084-971, Campinas-SP, Brazil.
authors.forename: Jez Willian B
authors.initials: JW
authors.lastname: Braga
authors.forename: Ronei Jesus
authors.initials: RJ
authors.lastname: Poppi
mesh_terms: D002138:Calibration; D002220:Carbamazepine / Q000737:chemistry*; D015999:Multivariate Analysis; D015203:Reproducibility of Results; D012680:Sensitivity and Specificity; D013055:Spectrophotometry, Infrared / Q000379:methods*
chemical_list: D002220:Carbamazepine