Thomaz Douglas Vieira, do Couto Renê Oliveira, Goldoni Riccardo, Malitesta Cosimino, Mazzotta Elisabetta, Tartaglia Gianluca Martino
Department of Science, Biological and Environmental Technology, Università di Salento, 73100 Lecce, Italy.
Midwest Campus Dona Lindu, Federal University of Sao Joao del-Rei, Divinopolis 35501-296, Brazil.
Antioxidants (Basel). 2022 Apr 27;11(5):859. doi: 10.3390/antiox11050859.
Wine is a complex bioproduct whose chemical composition is highly variable across production regions. In order to shed light on affordable ways to promote the characterization of wines and explore the physicochemical basis of their antioxidant capacity, this work reported on the quick and easy redox profiling of selected red wines from Apulia, Italy. Therefore, an affordable and quickly performed semiempirical quantum chemistry approach, i.e., the extended Hückel method, was used to compute the bandgaps of the main phytochemical markers attributed to red wines. The findings of these calculations were then compared to an electroanalytical investigation in the form of cyclic and square-wave voltammetry, and the electric current of the redox profiles was used as the input dataset for principal component analysis. Results showcased that the semiempirical quantum chemistry calculations allowed the correlation of the bandgaps to the observed faradaic signals upon voltammetry; thereby, also providing insights on their antioxidant appeal by highlighting the feasibility of charge-transfer processes at low electric potentials. Furthermore, the principal component analysis showed that the electric current dataset gathered in a time span of 55 s allowed the appropriate separation of the samples, which hints at the possible use of quick voltammetric assays as fingerprinting tools.
葡萄酒是一种复杂的生物制品，其化学成分在不同产区差异很大。为了阐明以经济实惠的方式促进葡萄酒特征描述并探索其抗氧化能力的物理化学基础，本文报道了对意大利普利亚地区精选红葡萄酒进行快速简便的氧化还原分析。因此，采用了一种经济实惠且快速执行的半经验量子化学方法，即扩展休克尔方法，来计算红葡萄酒主要植物化学标志物的带隙。然后将这些计算结果与循环伏安法和方波伏安法形式的电分析研究进行比较，并将氧化还原曲线的电流用作主成分分析的输入数据集。结果表明，半经验量子化学计算能够将带隙与伏安法中观察到的法拉第信号相关联；从而通过突出低电势下电荷转移过程的可行性，也为其抗氧化吸引力提供了见解。此外，主成分分析表明，在55秒时间跨度内收集的电流数据集能够对样品进行适当分离，这暗示了快速伏安测定法可能用作指纹识别工具。
