Synchronous Fluorescence Spectroscopy as a Green Method for the Prediction of Antioxidant Activity in Wine Brandy and Sweet Wine

IF 5.3 2区 农林科学 Q1 FOOD SCIENCE & TECHNOLOGY
Jana Sádecká, Katarína Hroboňová, Michaela Jakubíková
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Abstract

The official method for the determination of antioxidant activity in beverages is 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay, which requires toxic reagents, is laborious, and produces waste. The aim of this work was to develop a more eco‑friendly method for the prediction of antioxidant activity in wine brandy and sweet wine using synchronous fluorescence spectra (SFS). In scanning of bulk and diluted samples, the excitation wavelength was varied from 250 to 500 nm and the wavelength interval was ranged from 20 to 100 nm. Partial least squares (PLS) regression was done on individual SFS, on unfolded SFS and on variables selected by the variable importance in the projection (VIP) algorithm, while the DPPH assay was the reference method. VIP-PLS modeling of the SFS of diluted samples led to better performance characteristics of the regression models. The best VIP-PLS model for wine brandy with relative predictive deviation (RPD) of 3.9 was based on 62 variables (the wavelength interval from 80 to 100 nm and the excitation wavelength from 290 to 320 nm). The best VIP-PLS model for sweet wine with RPD of 4.2 was calculated on 108 variables (the wavelength interval from 60 to 100 nm and the excitation wavelength from 260 to 290 nm). RPD values above 3.5 indicated very good prediction accuracy obtained by VIP-PLS models. Analytical GREEnness (AGREE) score 0.74 confirmed a high level of greenness of the proposed method.

Abstract Image

同步荧光光谱法是预测葡萄酒白兰地和甜葡萄酒中抗氧化剂活性的绿色方法
测定饮料中抗氧化活性的官方方法是 2,2-二苯基-1-苦基肼(DPPH)测定法,这种方法需要使用有毒试剂,费时费力,而且会产生废物。这项工作的目的是开发一种更环保的方法,利用同步荧光光谱(SFS)预测葡萄酒白兰地和甜葡萄酒中的抗氧化活性。在扫描散装样品和稀释样品时,激发波长从 250 纳米到 500 纳米不等,波长间隔从 20 纳米到 100 纳米不等。对单个 SFS、展开的 SFS 以及通过投影中的变量重要性(VIP)算法选择的变量进行了偏最小二乘法(PLS)回归,而 DPPH 检测则是参考方法。对稀释样品的 SFS 进行 VIP-PLS 建模可使回归模型具有更好的性能特征。葡萄酒白兰地的最佳 VIP-PLS 模型基于 62 个变量(波长间隔为 80-100 纳米,激发波长为 290-320 纳米),相对预测偏差(RPD)为 3.9。甜葡萄酒的最佳 VIP-PLS 模型 RPD 为 4.2,是根据 108 个变量(波长间隔为 60-100 纳米,激发波长为 260-290 纳米)计算得出的。RPD 值高于 3.5 表明 VIP-PLS 模型的预测准确度非常高。分析格利度(AGREE)得分为 0.74,证明所提议的方法具有很高的绿色水平。
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来源期刊
Food and Bioprocess Technology
Food and Bioprocess Technology 农林科学-食品科技
CiteScore
9.50
自引率
19.60%
发文量
200
审稿时长
2.8 months
期刊介绍: Food and Bioprocess Technology provides an effective and timely platform for cutting-edge high quality original papers in the engineering and science of all types of food processing technologies, from the original food supply source to the consumer’s dinner table. It aims to be a leading international journal for the multidisciplinary agri-food research community. The journal focuses especially on experimental or theoretical research findings that have the potential for helping the agri-food industry to improve process efficiency, enhance product quality and, extend shelf-life of fresh and processed agri-food products. The editors present critical reviews on new perspectives to established processes, innovative and emerging technologies, and trends and future research in food and bioproducts processing. The journal also publishes short communications for rapidly disseminating preliminary results, letters to the Editor on recent developments and controversy, and book reviews.
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