Feasibility of excitation-emission fluorescence spectroscopy in tandem with chemometrics for quantitation of trans-resveratrol in vine-shoot ethanolic extracts

IF 3.5 2区农林科学 Q1 AGRICULTURE, MULTIDISCIPLINARY

Journal of the Science of Food and Agriculture Pub Date : 2024-03-05 DOI:10.1002/jsfa.13435

Antonio F Caputi, Giacomo Squeo, Ewa Sikorska, Roccangelo Silletti, Mirella Noviello, Antonella Pasqualone, Carmine Summo, Francesco Caponio

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引用次数: 0

Abstract

BACKGROUND

trans-Resveratrol (TR) is a well-known phytochemical compound with important biological properties. It can be recovered from agri-food by-products or wastes, such as vine shoots. Once recovered, its concentration should be measured, possibly in a green, non-destructive, and efficient manner. With these premises, this work aimed to explore the feasibility of excitation-emission fluorescence spectroscopy combined with chemometrics for the analysis of TR in raw extracts obtained from vine shoots. A total of 75 extracts were produced and analyzed by ultra-performance liquid chromatography method with diode array detection (UPLC-DAD) and spectrofluorimetry. Then, the feasibility of two calibration strategies for TR quantitation was assessed – a parallel factor analysis (PARAFAC)-based calibration and the N-way partial least squares (NPLS) regression.

RESULTS

The extracts showed variable TR content, the excitation/emission maxima of which were at around 305/390 nm, respectively. The best PARAFAC-based calibration allowed a root mean square error of prediction (RMSEP) of 22.57 mg L⁻¹, and a relative prediction deviation (RPD) of 2.91 to be obtained but a large number of PARAFAC components should be considered to improve the predictions. The results of the NPLS regression were slightly better, with a RMSEP of 19.47 mg L⁻¹, and an RPD of 3.33 in the best case.

CONCLUSION

Fluorescence could be an alternative analytical technique to measure TR in complex samples. Chemometric tools allowed the identification of the TR signal in the fluorescence landscapes, which could be further used for its non-destructive quantitation. The need for a more accurate criterion for optimal PARAFAC complexity emerged. © 2024 Society of Chemical Industry.

查看原文本刊更多论文

将激发-发射荧光光谱与化学计量学相结合，对葡萄树嫩枝乙醇提取物中的反式白藜芦醇进行定量的可行性。

背景：反式白藜芦醇（TR）是一种著名的植物化学化合物，具有重要的生物特性。它可以从农业食品副产品或废弃物（如葡萄树嫩枝）中回收。一旦回收，应尽可能以绿色、无损和高效的方式测量其浓度。在此前提下，本研究旨在探索激发-发射荧光光谱法与化学计量学相结合分析从葡萄树嫩枝中提取的原始提取物中 TR 的可行性。本研究采用二极管阵列检测的超高效液相色谱法（UPLC-DAD）和荧光光谱法对 75 种提取物进行了分析。然后，评估了基于平行因子分析（PARAFAC）的定标和N路偏最小二乘法（NPLS）回归这两种定标策略对TR定量的可行性：提取物中的 TR 含量各不相同，其激发/发射最大值分别在 305/390 nm 左右。基于 PARAFAC 的最佳定标可获得 22.57 mg L-1 的预测均方根误差（RMSEP）和 2.91 的相对预测偏差（RPD），但应考虑使用大量 PARAFAC 成分来改进预测。NPLS 回归的结果稍好，RMSEP 为 19.47 mg L-1，最佳情况下的 RPD 为 3.33：结论：荧光可作为测量复杂样品中 TR 的替代分析技术。化学计量学工具可识别荧光图谱中的 TR 信号，并可进一步用于对其进行非破坏性定量。因此，需要为 PARAFAC 的最佳复杂性制定更准确的标准。© 2024 化学工业协会。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of the Science of Food and Agriculture 工程技术-农业综合

CiteScore

8.10

自引率

4.90%

发文量

634

审稿时长

3.1 months

期刊介绍： The Journal of the Science of Food and Agriculture publishes peer-reviewed original research, reviews, mini-reviews, perspectives and spotlights in these areas, with particular emphasis on interdisciplinary studies at the agriculture/ food interface. Published for SCI by John Wiley & Sons Ltd. SCI (Society of Chemical Industry) is a unique international forum where science meets business on independent, impartial ground. Anyone can join and current Members include consumers, business people, environmentalists, industrialists, farmers, and researchers. The Society offers a chance to share information between sectors as diverse as food and agriculture, pharmaceuticals, biotechnology, materials, chemicals, environmental science and safety. As well as organising educational events, SCI awards a number of prestigious honours and scholarships each year, publishes peer-reviewed journals, and provides Members with news from their sectors in the respected magazine, Chemistry & Industry . Originally established in London in 1881 and in New York in 1894, SCI is a registered charity with Members in over 70 countries.