葡萄酒多酚红外光谱特性与其光谱检测技术研究进展

Infrared Spectral Characteristics of Wine Polyphenols and Advances in Spectroscopic Detection Techniques

摘要:

多酚是含苯环的天然有机分子，广泛存在于葡萄与葡萄酒中，为葡萄酒带来独特色泽的涩感风味。传统的多酚分析检验方法主要依靠HPLC法，但其复杂的检测过程使结果具有滞后性。红外光谱作为一种无损快速检测技术，可通过解析特定官能团的吸收特性，实现葡萄酒多酚的定性定量分析。本文在汇集近年红外光谱解析葡萄酒多酚相关研究成果的基础上，解析了葡萄酒中主要多酚化合物特定分子结构官能团在中红外（MIR）和近红外（NIR）光谱区间的吸收特性，明确了葡萄酒多酚的定性定量分析理论依据;详细论述了葡萄酒多酚的红外光谱分析模型构建方法，依次讨论了光谱预处理、异常值剔除、数据集划分的常用方法，并针对葡萄酒多酚定性或定量的不同目标，重点分析了MIR用于葡萄酒多酚定性分析和确定分子结构的两类模型（监督学习和非监督学习），以及NIR用于葡萄酒多酚定量分析的两类模型（线性模型和非线性模型）;总结了红外光谱技术在酿酒葡萄智慧栽培、葡萄酒智慧酿造、葡萄酒市场流通追溯等领域的应用进展，并从细化揭示葡萄酒多酚光谱表征规律、开发高集成微型光谱采集前端、提升葡萄酒多酚解析模型智能化等3个方面展望了红外光谱技术在葡萄酒领域的研究应用前景，为提升葡萄酒酿造工艺，推动葡萄酒智慧酿造科技发展提供参考。

Abstract:

Polyphenols are natural organic molecules containing benzene rings, widely present in grapes and wines, contributing significantly to wine's distinctive color and astringency. Traditional polyphenol analysis methods primarily rely on HPLC, but the complexity of its procedures results in delayed outcomes. Infrared spectroscopy, a rapid and non?destructive analytical technique, enables qualitative and quantitative polyphenol analysis in wine by identifying characteristic absorption of specific functional groups. Based on recent advancements in infrared spectroscopy research related to wine polyphenols, the absorption characteristics of specific functional groups of major wine polyphenols in mid?infrared (MIR) and near?infrared (NIR) spectral regions were initially elucidated, clarifying the theoretical foundations for their spectroscopic analysis. Subsequently, detailed methodologies for constructing infrared spectral analysis models were discussed, encompassing spectral preprocessing, outlier elimination, and dataset partitioning. The MIR spectral models for qualitative analysis and molecular structure identification (supervised and unsupervised learning) and NIR spectral models for quantitative analysis (linear and nonlinear models) were specifically addressed. Finally, it outlined the application of infrared spectroscopy in smart viticulture, intelligent winemaking, and wine traceability, and the future developments in detailed spectral characterization were prospected, miniaturized spectroscopic devices were highly integrated, and intelligent modeling was enhanced, offering guidance for improving wine production technology and advancing intelligent winemaking research.