Experiencias en el uso del software Quimiometrix para el procesamiento multivariado de datos químicos y bioquímicos

Authors

  • Oneisys,Isneri,Diana,Noslen,Lázaro. Núñez,Talavera,*Porro,Hernández,Bustio.

Abstract

The increasing development of the techniques of chemical instrumental analysis and their linkage with
computers has enabled the processing of a high amount of samples in a short time and as a result the access to a great
deal of data otherwise impossible to analyze and interpret in a manual way. Chemometrics as a new specialty in Chemistry
emerges at the worldwide scene for the solution of these problems, combining in a systemic form the use of chemical,
mathematical and computational techniques that allows us to obtain and analyze the information hidden behind the
immense numerical matrices generated in the research processes. The main objective of this work is to show through
practical examples, results in chemical investigations obtained with the use of these valuables multivariate analysis techniques,
specially the potentialities and usefulness offered by the “Quimiometrix” software developed for these purpose by
researchers of the Advanced Technology Application Center, currently at the service of the scientific national community.
The case studies that are presented as examples are representative of different working lines in Chemometrics applications
like: The data processing in chemical images for the automatic extraction of DNA profiles on polyacrialmide gels
for identification purpose; the multivariate calibration of spectral data for the quantitative determination of petroleum
hydrocarbons in water by FT-MIR spectroscopy, and finally, a case of pattern recognition in substance with the problem
of classification of fuels.

Published

2019-09-19

How to Cite

Núñez,Talavera,*Porro,Hernández,Bustio., O. (2019). Experiencias en el uso del software Quimiometrix para el procesamiento multivariado de datos químicos y bioquímicos. NATIONAL CENTER FOR SCIENTIFIC RESEARCH (CENIC) CHEMICAL SCIENCES JOURNAL, 42(1), 14. Retrieved from https://revista.cnic.edu.cu/index.php/RevQuim/article/view/251

Issue

Section

Research articles