title: Near Infrared Spectroscopy Detection and Quantification of Herbal Medicines Adulterated with Sibutramine.
abstract: There is an increasing demand for herbal medicines in weight loss treatment. Some synthetic chemicals, such as sibutramine (SB), have been detected as adulterants in herbal formulations. In this study, two strategies using near infrared (NIR) spectroscopy have been developed to evaluate potential adulteration of herbal medicines with SB: a qualitative screening approach and a quantitative methodology based on multivariate calibration. Samples were composed by products commercialized as herbal medicines, as well as by laboratory adulterated samples. Spectra were obtained in the range of 14,000-4000 per cm. Using PLS-DA, a correct classification of 100% was achieved for the external validation set. In the quantitative approach, the root mean squares error of prediction (RMSEP), for both PLS and MLR models, was 0.2% w/w. The results prove the potential of NIR spectroscopy and multivariate calibration in quantifying sibutramine in adulterated herbal medicines samples.
authors.affiliation: Departamento de Química Fundamental, Universidade Federal de Pernambuco, Recife, PE, Brazil.
authors.forename: Neirivaldo Cavalcante
authors.initials: NC
authors.lastname: da Silva
authors.affiliation: Departamento de Polícia Federal, Superintendência Regional em Pernambuco, Recife, PE, Brazil.
authors.forename: Ricardo Saldanha
authors.initials: RS
authors.lastname: Honorato
authors.affiliation: Departamento de Engenharia Química, Universidade Federal de Pernambuco, Recife, PE, Brazil.
authors.forename: Maria Fernanda
authors.initials: MF
authors.lastname: Pimentel
authors.affiliation: Department of Analytical Chemistry, University of Valencia, Valencia, Spain.
authors.forename: Salvador
authors.initials: S
authors.lastname: Garrigues
authors.affiliation: Department of Analytical Chemistry, University of Valencia, Valencia, Spain.
authors.forename: Maria Luisa
authors.initials: ML
authors.lastname: Cervera
authors.affiliation: Department of Analytical Chemistry, University of Valencia, Valencia, Spain.
authors.forename: Miguel
authors.initials: M
authors.lastname: de la Guardia
mesh_terms: D001067:Appetite Depressants / Q000032:analysis*; D003503:Cyclobutanes / Q000032:analysis*; D016002:Discriminant Analysis; D004340:Drug Contamination; D016014:Linear Models; D028321:Plant Preparations / Q000737:chemistry*; D019265:Spectroscopy, Near-Infrared
chemical_list: D001067:Appetite Depressants; D003503:Cyclobutanes; D028321:Plant Preparations; C058254:sibutramine
keywords: forensic science; herbal medicines; multiple linear regression; near infrared; partial least squares discriminant analysis; partial least squares regression; sibutramine; successive projections algorithm