DIDACTIC EXPERIMENT OF CHEMOMETRICS FOR PHARMACEUTICAL PELLETS MAPPING USING NEAR-INFRARED SPECTROSCOPY AND MULTIVARIATE CURVE RESOLUTION WITH ALTERNATING LEAST SQUARES: A TUTORIAL, PART IV

Quimica nova

Da-Col, José Augusto¹ 

[1] Universidade Estadual de Campinas, Campinas, Brazil

关键词: NIR;    chemical imaging;    multivariate curve resolution;    pharmaceutical pellets;    teaching experiment.;   

DOI  :  10.21577/0100-4042.20170149

学科分类：化学（综合）

来源: Sociedade Brasileira de Quimica

【 摘 要 】

The aim of this manuscript is to present a didactic experiment based on the combination of Near Infrared chemical imaging and Multivariate Curve Resolution for beginners, undergraduate and graduate students. In this tutorial, using MATLAB environment, the instrumental signals will be separated into two matrices, of spectral profiles and relative concentrations in the samples. Then, chemical images were generated to identify and verify the distribution of the components in the pellet samples. Chemical imaging was obtained from the mapping of predetermined area and the results for relative concentrations obtained in the ALS optimization for the analyzed area. This approach was successfully tested in chemistry undergraduate course at the Chemistry Institute of Campinas State University.

【 授权许可】

CC BY