Second‐order capillary electrophoresis diode array detector data modeled with the Tucker3 algorithm: A novel strategy for Argentinean white wine discrimination respect to grape variety

Abstract

Data obtained by capillary electrophoresis with diode array detection (CE-DAD) were modeled with the purpose to discriminate Argentinean white wines samples produced from three grape varieties (Torrontés, Chardonnay, and Sauvignon blanc). Thirty-eight samples of commercial white wine from four wine-producing provinces of Argentina (Mendoza, San Juan, Salta, and Rio Negro) were analyzed. CE-DAD matrices with dimensions of 421 elution times (from 1.17 to 7.39 minutes) × 71 wavelengths (from 227 to 367 nm) were joined in a three way data array and decomposed by Tucker3 method under non-negativity constraint, employing 18, 18 and six factors in the modes 1, 2 and 3, respectively. Using the scores of Tucker model, it was possible to discriminate samples of Argentinean white wine by linear discriminant analysis and Kernel linear discriminant analysis. Core element analysis of the Tucker3 model allows identifying the loading profiles in spectral mode related to Argentinean white wine samples.

Modeling second-order data for classification issues: Data characteristics, algorithms, processing procedures and applications

“…2, the eigenvalues for Xr and Xc obtained for a real case involving the analysis of white wine samples by using EEMs [16] ( Fig. 2A) and capillary electrophoresis with DAD [12] ( As it can be seen in Fig. 2A, the same amount of significant eigenvalues were necessary to explain most of the variability, corroborating the fact that a threedimensional array built with EEMs data will result low rank trilinear.…”

“…In fact, modern analytical platforms of separation followed by different detection techniques, e.g. tandem gas chromatography-mass spectrometry (GC-MS) [5][6][7], liquid chromatography-mass spectrometry or diode-arrays spectrophotometer (LC-MS [8,9], LC diode-array spectroscopy (LC-DAD) [10,11]), and capillary electrophoresis (CE) with DAD [12], have been scarcely applied. Conversely, fluorescence spectroscopy is the direct detection technique that has been mostly exploited in order to solve classification issues.…”

“…Regarding the use of second-order data for classification studies, the scientific community has mainly focused their concern on the development of analytical methodologies for food authenticity and traceability [4,13]. Some of them have been applied on various foodstuff such as wines [12,[16][17][18][19][20][21][22][23], oils [5,[24][25][26][27][28][29][30], vinegar [31,32], mayonnaise [33], orange juice [34] , fish [35], meet [36], tomatoes [8][9], paprika [37], and honey [38,39] in order to determine characteristic patterns of compounds or parameters related to a geographical origin, the adulteration of samples or some specific conditions (e.g. processes, storage, harvest or variety).…”

“…long experimental run times. In these cases, the use of simpler and faster conditions may lead to unresolved analyte peaks in a reasonably short time Consequently, hyphenation from separation techniques such as GC, LC or CE beside spectroscopic techniques such as DAD or, fast scanning fluorescence detection (FSFD), can provide many possible analytical strategies for classification studies [12,30,37]. Furthermore, due to advanced technologies in mass detectors, in recent years, the coupling of LC, GC or CE with MS has been employed in various classification studies [5][6][7][8][9]65].…”

Recent advances in the application of capillary electromigration methods for food analysis and Foodomics

“…The optimal sheath liquid composition consisted on 70:30 isopropanol/water ( v/v ) containing 7.5 mmol/L acetic acid at a flow rate of 6 μL/min . Besides, CE‐UV has been employed for the determination of the organic acids composition and quantification of 31 wine samples and for the classification of 38 samples of commercial wine from four wine‐producing provinces of Argentina according to the grape variety applying the Tucker3 algorithm , as well as for the measure of the changes in organic acids levels in coffee seeds as function of different fermentation treatments . Moreover, CE has shown an interesting application as a tool for the downstream process monitoring by the detection of organic impurities in the process of lactic acid purification from 15‐s generation renewable feedstock .…”