Abstract
This work shows an alternative methodology based on a portable near-infrared (NIR) spectroscopy coupled to independent components analysis (ICA) in a pseudo-univariate calibration way to determine total anthocyanins (TA) concentration and antioxidant activity (AA) in whole grape juice. To this, the scores proportions more related to TA and AA were plotted against TA and AA obtained by its respective references methodology to build pseudo-univariate calibration models with correlation coefficients of 0.9699 and 0.9814, respectively. From the results, it is possible the suggestion that NIR spectra coupled to ICA enable to overcome interferences using first-order data and work properly when there is enough selectivity for the analyte profile in the sample data.
Highlights
Phenolic compounds have received prominence in the scientific and popular community due to its antioxidant activity,[1] anticancer, antimicrobial, and anti-inflammatory properties.[2]
From the literature,[24] NIR spectra of samples rich in anthocyanins present a second overtone of the O–H stretch at 982 nm, a first overtone of the O–H stretch at 1456 nm, and combination bands of the asymmetric and scissor stretch O–H vibrations at 1940 nm
NIR absorptions, related to antioxidant activity determined from the DPPH method, were verified at 950, 1025, 1125 and 1310 nm.[11]
Summary
Phenolic compounds have received prominence in the scientific and popular community due to its antioxidant activity,[1] anticancer, antimicrobial, and anti-inflammatory properties.[2]. Current reference methods for the determination of total anthocyanins and antioxidant activity require sample preparation, handling of toxic chemical reagents, generating chemical waste, as well as being sample destructive and expensive.[9,10] considering that miniaturization and simplification of analytical procedures are trends in analytical chemistry,[11] near-infrared (NIR) spectroscopy combined with chemometric tools have been widely used in food analysis, performing simple, The NIR regions present characteristics such as many weak and overlapping peaks of overtone and combination bands, so its exact assignments are difficult. By comparing NIR calibrations performed with curve resolution tools and conventional multivariate calibration (performed, for example, from partial least squares) several advantages can be highlighted, detaching the possibility of isolating the contribution of the analyte even in in the presence of uncalibrated interferents,[14,15] an important feature that lets to deal with the complexity of our matrix by eliminating the need for including the interferences in the calibration step
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