Ferreira M. M. C., "CHEMOMETRICS IN ANALYTICAL CHEMISTRY: METHODS AND APPLICATIONS". Concepción, Chile, 14-17/10/2008: IX ENCUENTRO DE QUÍMICA ANALÍTICA Y AMBIENTAL [IX Meeting of Analytical and Environmental Chemistry], Libro de Resúmenes [Book of Abstracts], (2008) XXII. Plenary lecture.

IX ENCUENTRO DE QUÍMICA ANALÍTICA Y AMBIENTAL
 

CHEMOMETRICS IN ANALYTICAL CHEMISTRY: METHODS AND APPLICATIONS

Márcia M. C. Ferreira
Laboratório de Quimiometria Teórica e Aplicada
Instituto de Química, Universidade Estadual de Campinas - UNICAMP
Campinas, SP, BRASIL 13083-970
marcia@iqm.unicamp.br

The  use  of  computers  to  analyze  chemical  data  has  increased  drastically  over  the  past  30  years,
especially due  to  the  vast  computational resources made available  by  the advances  in  hardware and
software.   A large scientific calculation that would take hours/days on a mainframe 15 years ago can now
be easily accomplished with a microcomputer,  allowing some unthinkable problems to be solved routinely.
On the other hand,  data acquisition in Analytical Chemistry has also reached a  highly sophisticated level,
especially   with   coputerized   instrumentation  which   can   yield  enormous  quantities  of   very  reliable
chemical data. One of the most interesting features of modern instrumentations is the number of  variables
which  can  be  measured  on  a  single sample.   For  example,   absorption  intensities  at  3000  or  more
wavelengths are commonly recorded in one sample spectrum,  but of course a huge raw list of numbers is
of no value for the understanding of the problem and one can be easily overwhelmed by it.  Consequently,
the demand  for  more  sophisticated  tools  to  be  used  in  the  interpretation  of  such  data  has  rapidly
increased.   Nowadays,   several  chemometric  methods  are  available  making  it  possible  that  modern
instruments can be used in all its capactity for routine analysis.
In  this  talk,   some  of  the  main  chemometric methods  will  be  presented  and  several  applications  in
Analytical Chemistry will be commented, as for example:

-Non-Destructive determination of carotenoids in tomato products by Near Infrared Spectroscopy.
-Multivariate Accelerated Shelf-Life Testing for determining the shelf-life of foods and cosmetics.
-Geographical discrimination  of  mineral  waters from São Paulo  by  Inductively Coupled Plasma
Optical Emission Spectrometry.
-Discriminant analysis  for  quality control  of  processed Brazilian coffee  using Headspace Solid
Phase MicroExtraction - Gas Chromatography.
 
 
 
 
 
 

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