Distillation of fermented sugarcane juice: fractions characterized by electrospray ionization mass spectrometry and multivariate data treatment

Abstract

Direct infusion electrospray ionization mass spectrometry in the negative ion mode (ESI(-)-MS) was employed to discriminate among fractions arising from the distillation of fermented sugarcane juice during the production of cachaça, a typical Brazilian alcoholic beverage. Aliquots were collected in the course of distillation and their ESI(-)-MS shown to be almost indistinguishable by a simple visual inspection. However, when the ESI(-)-MS data were treated by the principal component analysis (PCA) and hierarchical clustering analysis (HCA) statistical methods, four major groups were clearly determined, the so-called head (two distinct clusters), heart and tail fractions. Furthermore, the recognition of diagnostic ions (and their respective intensities) enabled a more confident establishment of the cutoff position (i.e. the initial and final points of each fraction). In conclusion, ESI-MS, in conjunction with PCA or HCA approaches, proved to be a quite efficient method that allowed for a prompt characterization of each fraction derived from the distillation of brewed sugarcane. The results described herein can, therefore, be useful not only to optimize the production of cachaça but also to improve the quality of the final product.

Electrospray Ionization Mass Spectrometry Characterization of Musts and Alembic Brazilian Cachaças Using Selected Yeast Strains

“…According to the authors, these compounds are sugar degradation products. The ions of m/z 143, 171, and 199 were previously identified as markers for freshly distilled cachaça (Souza and others ; Canuto and others ), but only the ions of m/z 143 and 171 were found in cachaças produced from the selected strains UFMG‐R03 and UFMG‐R18 as minoritary ions (Table ). These ions .were related to deprotonated forms of organic acids octanoic and decanoic in cachaças and beers (Zhu and others ; Canuto and others ).…”

“…The ions of m/z 143, 171, and 199 were previously identified as markers for freshly distilled cachaça (Souza and others ; Canuto and others ), but only the ions of m/z 143 and 171 were found in cachaças produced from the selected strains UFMG‐R03 and UFMG‐R18 as minoritary ions (Table ). These ions .were related to deprotonated forms of organic acids octanoic and decanoic in cachaças and beers (Zhu and others ; Canuto and others ). In the work by Canuto and others () the experiments were conducted at a laboratory scale, wherein variables, such as temperature, oxygenation, and external contamination by microorganisms are controlled.…”

“…These ions .were related to deprotonated forms of organic acids octanoic and decanoic in cachaças and beers (Zhu and others ; Canuto and others ). In the work by Canuto and others () the experiments were conducted at a laboratory scale, wherein variables, such as temperature, oxygenation, and external contamination by microorganisms are controlled. In our experiments the conditions were “real,” the fermentations were conducted at a distillery scale (1000 L), and fresh sugarcane without heat treatment was constantly added to the vat.…”

“…Direct infusion electrospray ionization mass spectrometry (ESI‐MS) has been widely used to evaluate chemical compounds present in cachaça with goals as quality control, characterization or detection of adulteration. This technique allows for the identification of volatile and nonvolatile compounds in foods and beverages, without the need for extraction, isolation and prior chromatographic separation of the sample constituents (Souza and others ; Souza and others ; Canuto and others ; Geöcze and others ). This fast and efficient method is typically employed in combination with chemometric data.…”