Teaching experiment of chemometrics for multivariate calibration in determination of paracetamol in commercial tablets using near-infrared spectroscopy: a tutorial, part II

Química Nova

Breitkreitz, Márcia Cristina¹  Filgueiras, Paulo Roberto¹  Universidade Estadual de Campinas, Campinas, Brasil¹  Rohwedder, Jarbas José Rodrigues¹  Poppi, Ronei Jesus¹  Souza, André Marcelo de¹ 

关键词: NIR;    multivariate calibration;    teaching experiment.;   

DOI  :  10.1590/S0100-40422013000700022

学科分类：化学（综合）

来源: Sociedade Brasileira de Quimica

【 摘 要 】

The aim of this manuscript was to show the basic concepts and practical application of Partial Least Squares (PLS) as a tutorial, using the Matlab computing environment for beginners, undergraduate and graduate students. As a practical example, the determination of the drug paracetamol in commercial tablets using Near-Infrared (NIR) spectroscopy and Partial Least Squares (PLS) regression was shown, an experiment that has been successfully carried out at the Chemical Institute of Campinas State University for chemistry undergraduate course students to introduce the basic concepts of multivariate calibration in a practical way.

【 授权许可】

Unknown