Introduction

Aromas and tastes have crucial influences on the quality of fermented beverages. The determination of aromatic compounds requires global non-targeted profiling of the volatile organic compounds (VOCs) in the beverages. However, experimental VOC profiling result depends on the chosen VOC collection method.

Objectives

This study aims to observe the impact of using different sample preparation techniques [dynamic headspace (DHS), vortex-assisted liquid–liquid microextraction (VALLME), multiple stir bar sorptive extraction (mSBSE), solid phase extraction (SPE), and solid phase micro-extraction (SPME)] to figure out the most suitable sample preparation protocol for profiling the VOCs from fermented beverages.

Methods

Five common sample preparation methods were studied with beer, cider, red wine, and white wine samples. After the sample preparation, collected VOCs were analyzed by two-dimensional gas chromatography coupled with time of flight mass spectrometry (GCxGC-TOFMS).

Results

GCxGC oven parameters can be optimized with the Box–Behnken surface response model and response measure on peak dispersion. Due to the unavoidable column and detector saturation during metabolomic analysis, errors may happen during mass spectrum construction. Profiling results obtained with different sample preparation methods show considerable variance. Common findings occupy a small fraction of total annotated VOCs. For known fermentative aromas, best coverage can be reached by using SPME together with SPE for beer, and VALLME for wine and cider.

Conclusions

GCxGC-TOFMS is a promising tool for non-targeted profiling on VOCs from fermented beverages. However, a proper data processing protocol is lacking for metabolomic analysis. Each sample preparation method has a specific profiling spectrum on VOC profiling. The coverage of the VOC metabolome can be improved by combining complementary methods.

中文翻译：

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GCxGC-TOFMS 分析发酵饮料 VOC 的样品制备方法。

介绍

香气和口味对发酵饮料的质量有着至关重要的影响。芳香族化合物的测定需要对饮料中的挥发性有机化合物 (VOC) 进行全局非针对性分析。然而，实验 VOC 分析结果取决于所选的 VOC 收集方法。

目标

本研究旨在观察使用不同样品制备技术 [动态顶空 (DHS)、涡流辅助液-液微萃取 (VALLME)、多搅拌棒吸附萃取 (mSBSE)、固相萃取 (SPE) 和固相萃取] 的影响。微萃取 (SPME)] 以找出最合适的样品制备方案，用于分析发酵饮料中的 VOC。

方法

使用啤酒、苹果酒、红酒和白葡萄酒样品研究了五种常见的样品制备方法。样品制备后，通过二维气相色谱结合飞行时间质谱 (GCxGC-TOFMS) 分析收集到的 VOC。

结果

GCxGC 柱温箱参数可以使用 Box-Behnken 表面响应模型和峰扩散响应测量进行优化。由于代谢组学分析过程中不可避免的色谱柱和检测器饱和，质谱构建过程中可能会出现错误。使用不同样品制备方法获得的分析结果显示出相当大的差异。常见的发现只占总注释 VO​​C 的一小部分。对于已知的发酵香气，将 SPME 与 SPE 结合用于啤酒和 VALLME 用于葡萄酒和苹果酒，可以达到最佳覆盖率。

结论

GCxGC-TOFMS 是一种很有前途的工具，可用于对发酵饮料中的 VOC 进行非靶向分析。然而，代谢组学分析缺乏适当的数据处理协议。每种样品制备方法都有特定的 VOC 分析谱。VOC 代谢组的覆盖率可以通过结合互补方法来提高。