Análise qualitativa do cortisol salivar por espectroscopia no infravermelho

Abstract

Widely used to diagnose and monitoring of different diseases, such as Addison's disease, Parkinson's disease and stress association, the cortisol is a glucocorticoid, belonging to the steroid family has a special interest for the medical community. The present work includes the study of infrared spectrum of the cortisol molecule and performs a qualitative analysis of the level of salivary cortisol. For this, the infrared spectrum of the cortisol molecule was obtained by computational methods, based on the Theory of Functional Density, using Avogadro, Gaussian and VEDA software. The stretching of the double CO in 1744 cm-1 e 1776 cm-1 bonds as highlights as a more intense region of the infrared spectrum of the cortisol molecule. A set of ways of using major vibrators in 1776, 1744, 1664, 3824, 3688, 3064, 3096, 1440, 1248, 1120, 1296, 928 e 888 cm-1 has been suggested. The experimental spectra of the analytical standard of cortisol, artificial saliva and artificial saliva with cortisol addition was obtained in the reflectance mode with ATR accessory. The theoretical spectral profile was compared with the experimental values of the vibratory modes. Finally, an unsupervised analysis of a set of artificial saliva with and without cortisol addition evidenced as vibrational bonds in 2912, 1706 and 1642 cm-1 as vibratory markers of salivary cortisol, showing that a infrared spectroscopy can be used for evaluation qualitative analysis of salivary cortisol levels.