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| 基于顶空气相色谱-离子迁移质谱法结合化学计量对新疆黑小麦挥发性物质鉴定分析 |
| Identification and Analysis of Volatile Organic Compounds in Different Varieties of Black Wheat in Xinjiang Based on GC-IMS |
| 投稿时间：2025-01-09 修订日期：2025-05-13 |
| DOI： |
| 中文关键词: 黑小麦 顶空气相色谱-离子迁移质谱法 挥发性有机物 相对气味活性值 |
| 英文关键词:black wheat Headspace gas chromatography-ion mobility mass spectrometry volatile organic compounds relative odor activity value values |
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| 中文摘要: |
| 目的：为分析新疆不同地区黑小麦面粉、全麦粉及籽粒中挥发性有机物的差异，为黑小麦优化制粉工艺及全麦粉掺假辨别提供数据支持。方法：采用顶空气相色谱 - 离子迁移质谱法（Headspace Gas Chromatography - Ion Mobility Spectrometry, GC - IMS）对新疆 4 个不同地区 6 种黑小麦的面粉、全麦粉及籽粒挥发性成分进行检测，并结合正交偏最小二乘判别分析（Orthogonal Partial Least Squares Discriminant Analysis, OPLS - DA）方法对挥发性成分进行分类与特征选择。结果：共检测到黑小麦中 134 种挥发性物质，定性出 97 种挥发性有机物，主要包括醛类 23 种、酯类 21 种、醇类 19 种、酮类 12 种和酸类 6 种。相对气味活性值（Relative Odor Activity Value, ROAV）表明，1 - 辛烯 - 3 - 酮、（E） - 2 - 辛烯醛、1 - 丙硫醇、2 - 甲酰基 - 5 - 甲基噻吩、2 - 甲基丁醛、4 - 甲基苯甲醛、异戊酸、辛 - 1 - 烯 - 3 - 醇、原愈创木醇是黑小麦中关键挥发性风味物质，发挥主导作用。OPLS - DA 分析显示，黑小麦面粉、全麦粉与籽粒的挥发物之间存在差异，其中（E） - 2 - 辛烯醛主要存在于籽粒中，2 - 甲基丁醛在面粉中含量较高，4 - 甲基苯甲醛在全麦粉中含量较高。结论：GC - IMS 可作为区分不同处理黑小麦挥发性化合物差异的技术手段，研究结果为黑小麦优化制粉工艺提供了数据支撑，同时也为黑小麦全麦粉掺假辨别提供了新方向。 |
| 英文摘要: |
| Objective: To analyze the differences in volatile organic compounds (VOCs) in black wheat flour, whole wheat flour, and seeds in different regions of Xinjiang, and to provide data support for optimizing the milling process of black wheat and identifying adulteration of whole wheat flour. Methods: Headspace Gas Chromatography-Ion Mobility Spectrometry (GC-IMS) was used for the determination of volatile components in flour, whole wheat flour and seeds of six black wheats from four different regions of Xinjiang, and was combined with Orthogonal Partial Least Squares Discriminant Analysis (OPLS-DA) for the classification and characterization of volatile components. OPLS - DA was used to classify and characterize the volatile components. Results: A total of 134 volatiles were detected in rye wheat, and 97 VOCs were characterized, mainly including 23 aldehydes, 21 esters, 19 alcohols, 12 ketones, and 6 acids. Relative Odor Activity Value (ROAV) showed that 1-octen-3-one, (E)-2-octenal, 1-propanethiol, 2-formyl-5-methylthiophene, 2-methylbutyraldehyde, 4-methylbenzaldehyde, isovaleric acid, 1-oct-1-ene-3-ol, and proto-guaiacol were the major volatile odorants and played a dominant role in rye wheat. OPLS-DA analysis showed that there were differences between the volatiles of rye wheat flour, whole wheat flour and seeds, with (E)- 2-octenal mainly present in seeds, 2-methylbutyraldehyde higher in flour and 4-methylbenzaldehyde higher in whole wheat flour. Conclusion: GC-IMS can be used as a technical tool to distinguish the differences in volatile compounds between different treatments of rye wheat, and the results of this study provide data support for optimizing the milling process of rye wheat, as well as a new direction for the identification of adulteration of rye wheat whole wheat flour. |
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