Characterization and predictive modeling potential of aging time of roasted coffee using infrared spectroscopy.

Repackaging and tampering with labels of foods to extend their shelf life is an illegal practice, increasingly common in some Brazilian coffee retail markets. Fast, easy-to-use, and low-cost analytical techniques for the large-scale screening of aging time have been demanded lately to fight the growth of these frauds in retail coffee markets. In this work, Fourier transform infrared spectroscopy was evaluated as a provider of relevant regressors, chemically explainable, aiming for predictive models for estimating the aging of roasted and packaged coffees during their shelf life. Spectra of two Coffea arabica varieties (Bourbon and Obatã) were periodically acquired during eleven months of storage. The most relevant absorption bands were selected, which showed a moderate correlation with the storage time. They were identified as responses from lipids, phenolic compounds, and carbohydrates. From those responsive bands, logistic regression (sigmoid functions) models were fitted for each coffee variety, as well as for both together. Predictive models for Bourbon and Obatã showed high performances in validation data, with r (Pearson correlation) above 0.92 and root mean square error (RMSE) below 43 days. For both varieties, the logistic model showed r greater than 0.83 and RMSE equal to 56 days. Results corroborate the methodological approach efficacy towards agile technological innovations in the coffee value chain, as well as opening new application fronts for estimating the aging of other foods.

Tungsten permanent chemical modifier for fast estimation of Se contents in soil by graphite furnace atomic absorption spectrometry.

A tungsten carbide coating on the integrated platform of a transversely heated graphite atomizer was used as a modifier for the direct determination of Se in soil extracts by graphite furnace atomic absorption spectrometry. Diethylenetriaminepentaacetic acid (0.0050 mol L(-1)) plus ammonium hydrogencarbonate (1.0 mol L(-1)) extracted predominantly available inorganic selenate from soil. The formation of a large amount of carbonaceous residue inside the atomizer was avoided with a first pyrolysis step at 600 degrees C assisted by air during 30 s. For 20 microL of soil extracts delivered to the atomizer and calibration by matrix matching, an analytical curve (10.0-100 microgram of L(-1)) with good linear correlation (r = 0.999) between integrated absorbance and analyte concentration was established. The characteristic mass was approximately 63 pg of Se, and the lifetime of the tube was approximately 750 firings. The limit of detection was 1.6 microgram L(-1), and the relative standard deviations (n = 12) were typically <4% for a soil extract containing 50 microgram of L(-1). The accuracy of the determination of Se was checked for soil samples by means of addition/recovery tests. Recovery data of Se added to four enriched soil samples varied from 80 to 90% and indicated an accurate method.