Spectroanalytics is an area where methods of analysis based on measurements of spectra are developed, which can be generated by different forms of electromagnetic radiation (called spectroscopy) or by charges and masses of ions generated from an initially neutral substance (called mass spectrometry).

Researchers at the National Institute of Science and Technology of Bioanalytics (INCTBio) in Spectroanalytics of have been working with the techniques of mass spectrometry, nuclear magnetic resonance (NMR) spectroscopy, near infrared spectroscopy (NIR) and Raman spectroscopy.

The matrices of interest are the most diverse, due to the possibility of obtaining information at a molecular level with high resolution, often non-destructively and with little or no pre-treatment of the sample. Examples of applications are: studies with cells, tissues, biological fluids, drugs, food, natural products, etc. The growth of the area has been expressive, with a very large increase of works, as well as the emergence of research groups working specifically in the field of biological sample analysis. In this case, we can highlight the metabolomics, which involves the study of the metabolites present in several biological samples through their identification and quantification. In this context, metabolomic studies are fundamental for the identification of biomarkers for different disorders and diseases, such as psychiatric disorders and cancer. Therefore, the discovery of biomarkers of these diseases becomes relevant to improve the diagnosis, as well as in the evaluation of the treatment applied to the patients.

The large amount and complexity of the generated data often make it necessary the use chemometric tools of pattern recognition or multivariate calibration.