Differential Analysis of Aroma Components of Cigar Tobacco Leaves Based on OPLS-DA Model

doi:10.13304/j.nykjdb.2023.0214

Abstract

Abstract:

To investigate the differences in the aroma quality of cigar tobacco leaves from different varieties， the aroma composition of Dexue 1， Dexue 3， and Dexue 5 were analyzed by using gas chromatography-mass spectrometry （GC-MS）， and were used to construct an orthogonal partial least squares discriminant analysis （OPLS-DA） model. The results showed that the types of aroma substances in tobacco leaves were consistent among varieties， but there were differences in the content of aroma substances. In Dexue 1， the contents of megastigmatrienone， β-cyclocitral， benzaldehyde and 2，6-nonadienal were higher， while the contents of dihydroactinidiolide， 2-acetylfuran， solanone and neophytadiene were lower. The contents of furan compounds and neophytadiene were higher in Dexue 3. The contents of dihydroactinidiolide， solanone and guaiacol were higher in Dexue 5. An OPLS-DA model was constructed using 30 aroma components， which the fit index of independent variable （R²X），fit index of dependent variable（R²Y）， andmodel prediction index（Q² ） were 0.806， 0.993 and 0.988， respectively. The cross validation analysis of variance （CV-ANOVA） test result showed that F was 179.76 （P<0.05）. Through 200 substitution verification， it was found that the model did not exhibit over fitting， which indicated that the model was highly significant. The model screened 8 different aroma components from 30 aroma components， which could be used to distinguish cigar tobacco varieties. Above results provided useful information for elucidating the aroma quality of cigar tobacco leaves from different varieties.

Key words: cigar tobacco leaf, aroma components, orthogonal partial least-squares regression, variety discrimination

摘要：

为探究不同品种雪茄烟叶香气品质的差异，采用气相色谱-质谱联用仪（gas chromatography-mass spectrometry， GC-MS）对德雪1号、德雪3号和德雪5号香气成分进行分析，并进行正交偏最小二乘法判别分析（orthogonal partial least squares discriminant analysis， OPLS-DA）。结果表明，品种间烟叶香气物质的种类基本一致，而香气物质含量却存在差异，其中德雪1号烟叶中巨豆三烯酮、β-环柠檬醛、苯甲醛和2，6-壬二烯醛含量较高，二氢猕猴桃内酯、2-乙酰基呋喃、茄酮和新植二烯含量较低；德雪3号中呋喃类化合物和新植二烯含量较高；德雪5号中二氢猕猴桃内酯、茄酮和愈创木酚含量较高。通过30个香气成分构建了OPLS-DA模型，其中自变量拟合指数（R²X）、因变量拟合指数（R²Y）和模型预测指数（Q² ）分别为0.806、0.993和0.988，交叉验证方差分析（cross validation analysis of variance， CV-ANOVA）检验结果F为179.76（ P<0.05），且通过200次置换验证发现模型未出现过拟合现象，表明模型显著可靠。模型从30个香气成分中筛选出了8个差异香气物质，可用于雪茄品种的区分。以上结果为阐明不同品种雪茄烟叶的香气特征提供理论参考。

关键词: 雪茄烟叶, 香气成分, 正交偏最小二乘法, 品种判别

CLC Number:

S572

Shaohao LU, Yongheng XIE, Liping XU, Chongsheng LIU, Zhaoming WU, Lina ZHANG, Gaoyan XU, Zhenjie ZHAO, Yang GAO. Differential Analysis of Aroma Components of Cigar Tobacco Leaves Based on OPLS-DA Model[J]. Journal of Agricultural Science and Technology, 2024, 26(12): 176-186.

卢绍浩, 谢永恒, 许利平, 刘崇盛, 吴兆明, 张丽娜, 许高燕, 赵振杰, 高阳. 基于OPLS-DA模型的雪茄烟叶香气差异分析[J]. 中国农业科技导报, 2024, 26(12): 176-186.

Figures/Tables 8

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类别 Category	代码 Number	香气物质名称 Aroma material name	品种 Variety
类别 Category	代码 Number	香气物质名称 Aroma material name	德雪1号 Dexue 1	德雪3号 Dexue 3	德雪5号 Dexue 5
类胡萝卜素降解产物 Carotenoid degradation products	X1	巨豆三烯酮1 Megastigmatrienone 1	2.78±0.75 b	3.52±0.56 a	2.24±0.49 b
	X2	巨豆三烯酮2 Megastigmatrienone 2	13.11±3.53 a	11.72±1.14 a	9.49±1.91 b
	X3	巨豆三烯酮3 Megastigmatrienone 3	9.41±0.18 a	10.06±1.32 a	0.79±0.27 b
	X4	巨豆三烯酮4 Megastigmatrienone 4	15.34±5.08 ab	13.19±1.01b	16.33±1.73a
	X5	芳樟醇 Linalool	1.97±0.34 a	2.90±0.70 a	1.95±0.35 a
	X6	氧化异佛尔酮 Isophorone oxide	0.66±0.11 ab	0.81±0.22 a	0.60±0.16 b
	X7	β-大马酮 β-damascenone	41.94±13.19 a	38.42±1.48 a	27.28±1.40 b
	X8	β-二氢大马酮 β-damascone	20.56±2.73 a	18.82±2.76 a	22.20±2.42 a
	X9	3-羟基-β-二氢大马酮 3-hydroxy-β-damascone	13.60±2.11 a	13.40±3.32 a	12.10±1.50 a
	X10	香叶基丙酮 Geranyl acetone	3.10±0.38 a	3.51±0.34 a	1.92±0.27 a
	X11	二氢猕猴桃内酯 Dihydroactinidiolide	0.64±0.33 c	4.96±2.39 b	7.03±1.02 a
	X12	β-环柠檬醛 β-cyclocitral	0.14±0.02 a	0.08±0.02 b	0.04±0.01 c
	X13	螺岩兰草酮 Solavetivone	0.49±0.13 b	1.09±0.30 a	1.20±0.29 a
	X14	法尼基丙酮 Farnesyl acetone	19.14±2.12 a	16.95±7.17 a	15.12±1.79 a
	X15	6-甲基-5-庚烯-2-醇 6-methyl-5-hepten-2-ol	1.52±0.48 a	2.68±0.62 a	2.17±0.42 a
	X16	6-甲基-5-庚烯-2-酮 6-methyl-5-hepten-2-one	0.58±0.08 b	1.63±0.58 a	0.91±0.28 b
	合计 Total		144.97±24.69 a	162.74±29.52 a	121.39±6.99 b
棕色化反应产物 Maillard reaction products	X17	5-甲基糠醛 5-methyl-2-furaldehyde	1.40±0.80 b	3.02±0.42 a	3.80±1.40 a
	X18	糠醛 Furfural	10.76±3.27 a	12.18±5.32 a	12.06±4.02 a
	X19	糠醇 Furfuryl alcohol	6.21±1.00 a	5.42±1.14 a	2.04±0.37 b
	X20	2-乙酰基呋喃 2-acetylfuran	0.41±0.13 c	1.27±0.25 a	0.69±0.41 b
	X21	2-乙酰基吡咯 2-acetyl-1H-py-rrole	0.89±0.30 ab	0.74±0.12 b	1.07±0.45 a
	合计 Total		19.67±4.01 a	30.94±5.91 a	19.65±3.72 a
类西柏烷类降解产物 Degradation products of cembranoids	X22	茄酮 Solanone	41.00±10.31 c	108.04±18.42 b	121.62±6.86 a
苯丙氨酸转化产物 Phenylalanine converting products	X23	苯甲醛 Benzaldehyde	6.07±0.87 a	4.21±0.56 c	5.14±0.42 b
	X24	苯甲醇 Benzil alcohol	15.53±0.40 a	15.37±1.01 a	6.35±0.76 b
	X25	苯乙醛 Hyacinthin	13.18±1.51 a	12.75±7.91 a	15.86±1.87 a
	X26	苯乙醇 Phenethyl alcohol	10.71±2.26 b	22.85±3.73 a	6.43±0.59 c
	合计 Total		45.94±3.13 b	55.18±12.09 a	33.78±1.88 c
新植二烯 Neophytadiene	X27	新植二烯 Neophytadiene	245.17±12.20 c	844.46±103.64 a	468.87±25.70 b
其他 Others	X28	2，6-壬二烯醛 2，6-nonadienal	2.13±0.71 a	0.89±0.20 b	0.13±0.01 c
	X29	愈创木酚 Guaiacol	1.33±0.21 b	0.73±0.26 c	1.57±0.02 a
	X30	藏花醛 Safranal	0.29±0.08 a	0.24±0.09 ab	0.22±0.02 b
	合计 Total		3.75±0.90 a	1.85±0.33 b	1.91±0.05 b
总计 Total			300.15±43.67 c	1 202.91±165.20 a	767.21±36.51 b

类别 Category	代码 Number	香气物质名称 Aroma material name	品种 Variety
类别 Category	代码 Number	香气物质名称 Aroma material name	德雪1号 Dexue 1	德雪3号 Dexue 3	德雪5号 Dexue 5
类胡萝卜素降解产物 Carotenoid degradation products	X1	巨豆三烯酮1 Megastigmatrienone 1	2.78±0.75 b	3.52±0.56 a	2.24±0.49 b
	X2	巨豆三烯酮2 Megastigmatrienone 2	13.11±3.53 a	11.72±1.14 a	9.49±1.91 b
	X3	巨豆三烯酮3 Megastigmatrienone 3	9.41±0.18 a	10.06±1.32 a	0.79±0.27 b
	X4	巨豆三烯酮4 Megastigmatrienone 4	15.34±5.08 ab	13.19±1.01b	16.33±1.73a
	X5	芳樟醇 Linalool	1.97±0.34 a	2.90±0.70 a	1.95±0.35 a
	X6	氧化异佛尔酮 Isophorone oxide	0.66±0.11 ab	0.81±0.22 a	0.60±0.16 b
	X7	β-大马酮 β-damascenone	41.94±13.19 a	38.42±1.48 a	27.28±1.40 b
	X8	β-二氢大马酮 β-damascone	20.56±2.73 a	18.82±2.76 a	22.20±2.42 a
	X9	3-羟基-β-二氢大马酮 3-hydroxy-β-damascone	13.60±2.11 a	13.40±3.32 a	12.10±1.50 a
	X10	香叶基丙酮 Geranyl acetone	3.10±0.38 a	3.51±0.34 a	1.92±0.27 a
	X11	二氢猕猴桃内酯 Dihydroactinidiolide	0.64±0.33 c	4.96±2.39 b	7.03±1.02 a
	X12	β-环柠檬醛 β-cyclocitral	0.14±0.02 a	0.08±0.02 b	0.04±0.01 c
	X13	螺岩兰草酮 Solavetivone	0.49±0.13 b	1.09±0.30 a	1.20±0.29 a
	X14	法尼基丙酮 Farnesyl acetone	19.14±2.12 a	16.95±7.17 a	15.12±1.79 a
	X15	6-甲基-5-庚烯-2-醇 6-methyl-5-hepten-2-ol	1.52±0.48 a	2.68±0.62 a	2.17±0.42 a
	X16	6-甲基-5-庚烯-2-酮 6-methyl-5-hepten-2-one	0.58±0.08 b	1.63±0.58 a	0.91±0.28 b
	合计 Total		144.97±24.69 a	162.74±29.52 a	121.39±6.99 b
棕色化反应产物 Maillard reaction products	X17	5-甲基糠醛 5-methyl-2-furaldehyde	1.40±0.80 b	3.02±0.42 a	3.80±1.40 a
	X18	糠醛 Furfural	10.76±3.27 a	12.18±5.32 a	12.06±4.02 a
	X19	糠醇 Furfuryl alcohol	6.21±1.00 a	5.42±1.14 a	2.04±0.37 b
	X20	2-乙酰基呋喃 2-acetylfuran	0.41±0.13 c	1.27±0.25 a	0.69±0.41 b
	X21	2-乙酰基吡咯 2-acetyl-1H-py-rrole	0.89±0.30 ab	0.74±0.12 b	1.07±0.45 a
	合计 Total		19.67±4.01 a	30.94±5.91 a	19.65±3.72 a
类西柏烷类降解产物 Degradation products of cembranoids	X22	茄酮 Solanone	41.00±10.31 c	108.04±18.42 b	121.62±6.86 a
苯丙氨酸转化产物 Phenylalanine converting products	X23	苯甲醛 Benzaldehyde	6.07±0.87 a	4.21±0.56 c	5.14±0.42 b
	X24	苯甲醇 Benzil alcohol	15.53±0.40 a	15.37±1.01 a	6.35±0.76 b
	X25	苯乙醛 Hyacinthin	13.18±1.51 a	12.75±7.91 a	15.86±1.87 a
	X26	苯乙醇 Phenethyl alcohol	10.71±2.26 b	22.85±3.73 a	6.43±0.59 c
	合计 Total		45.94±3.13 b	55.18±12.09 a	33.78±1.88 c
新植二烯 Neophytadiene	X27	新植二烯 Neophytadiene	245.17±12.20 c	844.46±103.64 a	468.87±25.70 b
其他 Others	X28	2，6-壬二烯醛 2，6-nonadienal	2.13±0.71 a	0.89±0.20 b	0.13±0.01 c
	X29	愈创木酚 Guaiacol	1.33±0.21 b	0.73±0.26 c	1.57±0.02 a
	X30	藏花醛 Safranal	0.29±0.08 a	0.24±0.09 ab	0.22±0.02 b
	合计 Total		3.75±0.90 a	1.85±0.33 b	1.91±0.05 b
总计 Total			300.15±43.67 c	1 202.91±165.20 a	767.21±36.51 b

序号 Number	化合物名称 Compound name	VIP值 VIP value
X27	新植二烯 Neophytadiene	1.21
X22	茄酮 Solanone	1.20
X12	β-环柠檬醛 β-cyclocitral	1.20
X26	苯乙醇 Phenethyl alcohol	1.19
X11	二氢猕猴桃内酯 Dihydroactinidiolide	1.19
X5	芳樟醇 Linalool	1.16
X28	2，6-壬二烯醛 2，6-nonadienal	1.14
X29	愈创木酚 Guaiacol	1.13
X10	香叶基丙酮 Geranyl acetone	1.12
X16	6-甲基-5-庚烯-2-酮 6-methyl-5-hepten-2-one	1.11
X15	6-甲基-5-庚烯-2-醇 6-methyl-5-hepten-2-ol	1.11
X20	2-乙酰基呋喃 2-acetylfuran	1.09
X14	法尼基丙酮 Farnesyl acetone	1.07
X8	β-二氢大马酮 β-damascone	1.05
X18	糠醛 Furfural	1.02

序号 Number	化合物名称 Compound name	VIP值 VIP value
X27	新植二烯 Neophytadiene	1.21
X22	茄酮 Solanone	1.20
X12	β-环柠檬醛 β-cyclocitral	1.20
X26	苯乙醇 Phenethyl alcohol	1.19
X11	二氢猕猴桃内酯 Dihydroactinidiolide	1.19
X5	芳樟醇 Linalool	1.16
X28	2，6-壬二烯醛 2，6-nonadienal	1.14
X29	愈创木酚 Guaiacol	1.13
X10	香叶基丙酮 Geranyl acetone	1.12
X16	6-甲基-5-庚烯-2-酮 6-methyl-5-hepten-2-one	1.11
X15	6-甲基-5-庚烯-2-醇 6-methyl-5-hepten-2-ol	1.11
X20	2-乙酰基呋喃 2-acetylfuran	1.09
X14	法尼基丙酮 Farnesyl acetone	1.07
X8	β-二氢大马酮 β-damascone	1.05
X18	糠醛 Furfural	1.02

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