SDE-GC-MS结合OPLS-DA分析不同生态区谷子品种香气特征

doi:10.3864/j.issn.0578-1752.2023.13.012

摘要/Abstract

摘要：

【背景】我国谷子产地分为4个地区，包括东北平原地区、华北平原地区、内蒙古高原地区和西北地区，谷子区域试验旨在筛选具有良好遗传性状的种质资源。但是，良好的生长遗传性状和米粒外观表型未必具有良好的烹饪品质和香气特征，特别是香气特征在很大程度上影响了其生产和下游产业。蒸馏萃取（simultaneous distillation extraction，SDE）是一种预处理手段，可模拟煮粥的过程，适合于谷子的香气分析。【目的】明确不同生态区谷子种质资源香气特征，推动感官导向型育种-加工产业实践。【方法】采用同时蒸馏萃取-气相色谱-质谱联用法（simultaneous distillation extraction-gas chromatography-mass spectrometry,SDE-GC-MS）结合香气活性值法（odor activity value，OAV），分析我国华北、东北、西北和内蒙古4个生态区谷物香气成分差异。【结果】SDE-GC-MS分析结果表明4个生态区12个谷子品种共检测出81种挥发性物质，包括醛类25种，醇类6种，酚类4种，酮类11种，碳氢11种，含苯衍生物13种，酸类4种，其他7种。对比检测结果发现，不同地区中挥发性物质的种类基本相似，但各成分相对含量有所不同。对37种挥发性成分特征进行了香气描述，并结合香气活性值确定了12个谷子品种有23个OAV>1的有贡献的香气化合物。通过正交偏最小二乘法判别分析（orthogonal partial least squares discrimination analysis，OPLS-DA）建立谷子区试的有效判别模型，将12个谷子品种划分为3类，筛选出18种VIP（variable importance in projection）大于1的化合物：2,4-癸二烯醛、(E,E)-3,5-辛二烯-2-酮、2-(2-丙烯基)-呋喃、己醛、2-戊基呋喃、2-乙酰基噻唑、庚醛、(E,E)-2,4-癸二烯醛、3,5-辛二烯-2-酮、(E)-3-壬烯-2-酮、苯甲醛、十四酸、2-戊基呋喃、(Z)-2-庚烯醛、庚醇、2-甲氧基-苯酚、乙基苯、十六酸甲酯，可用于区分不同样品之间的差异。【结论】SDE-GC-MS结合OAV鉴定分析了我国不同生态区谷子风味成分及关键香气特征化合物，OPLS-DA模型筛选了区分不同样品及生态区谷子风味差异的18种VIP化合物，研究结果为了解我国不同地区种植谷子风味特征的差异，以及以此为基础开展风味导向型谷子品种选育与种植加工提供了数据参考。

关键词: 同时蒸馏萃取, 谷子, 香气活性值, 生态区, 正交偏最小二乘判别

Abstract:

【Background】The foxtail millet production areas in China are divided into four regions: the Northeast China region, the North China region, the Inner Mongolia plateau region, and the Northwest China region. The regional trials aimed to screen germplasm resources with good genetic traits. However, good growth genetic traits and foxtail millet grain appearance phenotypes do not necessarily have good culinary quality and aroma characteristics, especially the aroma characteristics largely affect its production and downstream industries. Simultaneous distillation extraction (SDE) is a pretreatment method that simulates the cooking process of porridge and is suitable for the aroma analysis of foxtail millet.【Objective】The aim of this study was to clarify the aroma characteristics of cereal germplasm resources in different ecological regions, so as to promote sensory-oriented breeding-processing industrial practices.【Method】Simultaneous distillation extraction-gas chromatography-mass spectrometry (SDE-GC-MS) combined with odor activity value (OAV) method was used to analyze the differences in aroma components of foxtail millet in different regions of China.【Result】 A total of 81 volatile substances were detected in 12 foxtail millet varieties from four ecological regions, 25 aldehydes, 6 alcohols, 4 phenols, 11 ketones, 11 hydrocarbons, 13 benzene-containing derivatives, 4 acids, and 7 others. The comparison of the results showed that the volatile substance subclasses were similar in different regions, but the contents of the components were different. Thirty-seven volatile components with literature-accessible odor characterization were labeled, and 23 contributing aroma compounds with OAV > 1 were identified in the 12 foxtail millet varieties. The effective discrimination model of the cereal regional test was established by orthogonal partial least squares discrimination analysis (OPLS-DA). Then, the 12 foxtail millet varieties were classified into three categories, and 18 compounds with VIP>1 were screened out: hexanal, heptanal, (Z)-2-heptenal, benzaldehyde, (E,E)-2, 4-decadienal, 2,4-decadienal, nonane, tetradecanoic acid, (Z,Z)-9, 12-octadecadienoic acid, pentadecanoic acid, n-hexadecanoic acid, 2-methoxy-4-vinylphenol, 2, 4-bis(1, 1-dimethylethyl)-phenol, 2, 5-bis(1, 1-dimethylethyl)-phenol, 1-heptanol, nerolidol, 2-pentyl-furan, and hexadecanoic acid methyl ester, which could be used to distinguish the differences between different samples.【Conclusion】 SDE-GC-MS combined with OAV identification analyzed the flavor components and characteristics of key aroma compounds of foxtail millet from different ecological regions, and the OPLS-DA model screened 18 VIP compounds that distinguished the flavor differences of foxtail millet from different samples and ecological regions. The results of the study provided data references for understanding the differences in flavor characteristics of foxtail millet grown in different regions of China, and for a basis of flavor-oriented foxtail millet variety selection, breeding, and processing.

Key words: simultaneous distillation extraction, foxtail millet, odor activity value, ecological regions, orthogonal partial least squares discriminant

李少辉, 赵巍, 刘松雁, 李朋亮, 张爱霞, 刘敬科. SDE-GC-MS结合OPLS-DA分析不同生态区谷子品种香气特征[J]. 中国农业科学, 2023, 56(13): 2586-2596.

LI ShaoHui, ZHAO Wei, LIU SongYan, LI PengLiang, ZHANG AiXia, LIU JingKe. Aroma Characteristics of Foxtail Millet Varieties from Different Ecological Regions by Analysis of SDE-GC-MS Combined with OPLS-DA[J]. Scientia Agricultura Sinica, 2023, 56(13): 2586-2596.

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链接本文: https://www.chinaagrisci.com/CN/10.3864/j.issn.0578-1752.2023.13.012

https://www.chinaagrisci.com/CN/Y2023/V56/I13/2586

图/表 4

图1

图2

表1

不同生态区地区谷子挥发性气味化合物香气活性值"

编号 No.	气味描述 Odor description^{[12, 17]}	阈值 Odor threshold^[17]	西北地区 Northwest region			内蒙古地区 Inner Mongolia region			华北地区 Northern region			东北地区 Northeast region
编号 No.	气味描述 Odor description^{[12, 17]}	阈值 Odor threshold^[17]	朝谷58 Chaogu58	太选15 Taixuan15	承11-727 Cheng11-727	1k196	1322-5	1323-20	冀谷19 Jigu19	郑10-1 Zheng10-1	济0621-6 Ji0621-6	九谷 Jiugu	龙11-58070 Long11-58070	双2008-5 Shuang2008-5
A1	清新，脂肪味 Green, fatty	4	81.01	59.05	98.60	114.16	215.83	72.36	85.90	84.31	110.63	113.31	189.62	129.21
A2	青草香，果香 Green, fresh fruity	30	0.14	0.14	0.19	0.00	1.31	0.57	0.15	0.81	0.14	0.37	0.36	0.48
A3	刺鼻，脂肪味 Fatty，harsh	3	47.80	39.28	51.18	33.57	47.60	16.38	0.00	0.00	41.27	0.00	0.00	0.00
A4	刺鼻青草味 Pungent green	13	0.00	0.00	0.00	0.00	28.12	12.70	0.00	0.00	0.28	0.00	0.00	0.00
A5	坚果，焦糖 Almond, burnt sugar	515	0.27	0.00	0.21	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.00
A6	脂肪、柑橘、蜂蜜 Fatty, citrus, honey	1.4	24.01	14.22	14.24	21.13	41.66	17.41	8.95	0.00	13.15	13.14	31.96	20.89
A7	青草，脂肪味 Fatty, green	60	0.36	0.28	0.34	0.33	1.07	0.47	0.37	0.30	0.29	0.54	0.48	0.54
A8	甜味，花香 Sweet, floral	4	9.41	6.24	13.68	9.96	0.00	6.66	10.85	11.20	15.70	7.55	28.59	16.36
A9	青草 Green leafy	3	17.56	17.70	34.52	29.29	84.95	34.33	17.43	13.17	18.55	35.85	31.31	32.81
A10	柑橘类，蜡味，甜味 Citrus, wax, sweet	1	398.16	177.06	155.61	315.17	374.71	154.85	182.66	322.63	187.30	206.63	449.64	297.13
A12	鸢尾花香，蜡味 Orris-like, waxy	0.1	692.30	605.50	736.90	785.80	1116.70	400.40	537.60	646.40	566.90	736.70	1191.10	898.20
A14	柑橘香 Citrus	1	30.71	21.00	22.87	45.27	45.10	18.31	17.90	25.69	20.64	27.63	39.77	37.85
A15	脂肪，花香 Fatty, floral	0.05	289.60	334.40	455.80	481.20	1238.80	605.40	366.20	282.20	295.60	510.40	805.00	588.20
A17	脂肪，青草 Fatty, green	0.07	521.00	429.14	653.57	626.00	4013.43	2066.86	586.57	328.29	386.43	1069.43	1133.57	6307.57
A18	油腻，辛辣，甜味 Oil, pungent, sweet	6.8	5.48	0.00	5.78	11.51	7.13	3.13	4.39	5.30	4.57	3.19	6.12	6.02
A21	柑橘，肥皂，脂肪 Citrus, soapy, fatty	1.5	11.68	0.00	0.00	14.41	14.48	6.35	8.62	0.00	0.00	0.00	0.00	14.32
A23	-	1078	0.01	0.00	0.00	0.06	0.00	0.03	0.00	0.08	0.00	0.00	0.00	0.00
A24	柑橘类、绿色、脂肪类 Citrus, green, fatty	-	-	-	-	-	-	-	-	-	-	-	-	-
B1	青草，果香，油性 Green, fruitty, oily	200	0.37	0.39	1.18	0.59	0.62	0.27	0.23	0.20	0.25	0.34	0.47	0.51
B2	化学，青草 Chemical, green	330	0	0.00	0.03	0.11	0.05	0.02	0.06	0.04	0.02	0.00	0.00	0.00
B3	甜味，泥土味，蘑菇味 Sweet, earthy, mushroom	14	1.99	1.60	3.46	2.86	11.23	4.43	0.00	0.00	3.05	2.19	3.74	2.37
B5	蜡味、青草、柑橘 Waxy, green, citrus	42	0.91	0.53	0.58	0.83	0.79	0.30	0.00	0.41	0.46	0.44	1.12	0.72
B6	花香 Floral	250	0.34	0.43	0.29	0.45	0.38	0.21	0.29	0.31	0.31	0.47	0.61	0.67
C1	丁香，咖喱 Clove, curry	1.72	0.00	0.00	0.00	0.00	0.00	0.00	258.81	0.00	143.75	0.00	0.00	0.00
D1	绿色，蜡味，果味 Green, waxy, fruity	1300	0.02	0.02	0.04	0.03	0.04	0.01	0.01	0.01	0.02	0.02	0.00	0.02
D3	刺激性，草药味 Pungent, herbaceous	150	0.00	0.00	0.15	0.00	0.19	0.08	0.00	0.13	0.15	0.09	0.25	0.00
D4	果味 Fruity	800	0.01	0.01	0.01	0.01	0.02	0.01	0.00	0.00	0.01	0.01	0.01	0.01
D7	花香 Floral	60	0.68	0.54	0.57	0.76	0.87	0.53	0.62	0.82	0.54	1.09	1.11	0.93
D8	甜，蜡味，花香 Sweet, waxy, floral	800	0.00	0.00	0.00	0.00	0.00	0.01	0.00	0.00	0.00	0.00	0.00	0.00
F2	酚味 Phenolic	1000	0.00	0.01	0.01	0.00	0.00	0.00	0.02	0.00	0.00	0.02	0.00	0.03
F5	酚味 Phenolic	6	6.90	5.96	9.81	13.51	15.01	7.23	2.85	3.65	4.37	3.31	3.13	7.61
F9	-	10	0.00	1.17	0.97	1.47	0.00	0.00	0.00	1.48	0.34	0.00	0.00	0.00
F11	酚味 Phenolic	80	0.00	0.00	0.00	0.18	0.14	0.09	0.00	0.00	0.00	0.00	0.00	0.00
H1	面包、杏仁、甜食 Bread, almond, sweet	517.7	-	-	-	-	-	-	-	-	0.01	-	-	-
H2	豆香，果蔬香 Bean, vegetable	6	19.79	17.28	33.35	35.91	49.49	31.36	20.65	18.80	21.07	30.53	39.98	31.25
H3	青草味 Green, herbal, grassy	4	1.78	1.37	2.15	2.59	9.54	0.90	2.60	1.57	2.19	2.79	4.16	2.56
H5	汽油，橡胶味 Gasline, rubber	40	0.00	0.11	0.00	0.00	0.00	0.00	0.00	0.00	0.00	0.28	0.00	0.21
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表1

图3

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