香料的热脱附-气质联用指纹图谱偏最小二乘判别分析与差异表征
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- 英文论文题名：Classify and quantity control Casing flavor by PLS-DA Combined with Thermal desorption spectroscopy- gas chromatograph mass spectrometer
- 论文作者：陈康宁 ; 杨燕 ; 李伟 ; 王家俊 ; 毛多斌 ; 侯英
- 英文论文作者：CHEN Kang-ning ; YANG yan ; LI Wei ; WANG Jia-jun ; MAO Duo-bing ; HOU ying ; Hong yun -Honghe Tobacco (Group)Co. ; Ltd. ; Zheng zhou Institute of light Industry ; Yun nan Tongchuang Technology Analysis Co. ; Ltd. ; R & D of China Tobacco Yunnan Industrial Co. ; Ltd.
- 年：2016
- 作者机构：红云红河烟草(集团)有限公司红河卷烟厂;云南同创检测技术股份有限公司;云南中烟工业有限责任公司技术中心;郑州轻工业学院;
- 论文关键词：热脱附-气质联用指纹图谱 ; PLS-DA法 ; 烟用香料
- 英文论文关键词：TD-GC/MS fingerprint ; PLS-DA ; Casing flavor
- 会议召开时间：2016-12-01
- 会议录名称：中国烟草学会2016年度优秀论文汇编——烟草工业主题
- 语种：中文
- 分类号：TS264.3
- 学会代码：ZGYG
- 学会名称：中国烟草学会
- 页数：10
- 文件大小：1590k
- 原文格式：D
摘要
采集72个来自2类不同风格特征香料的热脱附-气质联用指纹图谱,结合偏最小二乘判别分析(PLS-DA),建立2类不同风格特征香料的类模型。使用26个验证样品对类模型进行验证,(在P>0.05的条件下),结果表明,验证样品均获得了正确的分类,类模型判别效果良好;同时,通过因子载荷矩阵分析,计算各化学组分对2类香料分类的贡献率,表征2类香料化学组分的差异,结果令人满意。
TDS-GC-MS chromatographic fingerprints of 72 flavors, which are belong to two different characteristics types, were collected and integrated with analysis method of PLS-DA, to establish class model for two different characteristics flavors. When P>0.05, 26 verified samples were used to verify class model, and the result showed that the class model performs well in discrimination of verified samples classifying; meanwhile, to calculate the contribution rate of each chemical compound to classifying of two types of flavors by analysis the factors of contribute matrix, to characterize the differences of chemical compounds in two types of flavors, led to a satisfying results.
TDS-GC-MS chromatographic fingerprints of 72 flavors, which are belong to two different characteristics types, were collected and integrated with analysis method of PLS-DA, to establish class model for two different characteristics flavors. When P>0.05, 26 verified samples were used to verify class model, and the result showed that the class model performs well in discrimination of verified samples classifying; meanwhile, to calculate the contribution rate of each chemical compound to classifying of two types of flavors by analysis the factors of contribute matrix, to characterize the differences of chemical compounds in two types of flavors, led to a satisfying results.
引文
[1]谢建平,胡军,陈连芳,等.中华人民共和国烟草行业标准.烟用香精(YC/T 164-2012)[S].中国标准出版社.
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[11]余金恒,许明忠,黄锋林等.烟用香精香料物质研究进展[J].河南农业科学,2011,40(2):16-18.
[12]毛多斌,张槐岭,贾春晓.卷烟香味化学[M].郑州:河南科学技术出版社,1994.
[13]熊国玺,王娜,司辉等.烟用香精的全二维气相色谱-飞行时间质谱定性分析[J].香料香精化妆品,2009(1):17-22,26.
[14]陈永宽,孔宁川,武怡等.2,3-二氢-3,5-二羟基-6-甲基-4(H)吡喃-4-酮的合成及热裂解行为[J].化学研究与应用,2003,15(1):45-47.
[15]刘强,候春,李海涛等.溶剂对一些醇类香料在卷烟中添加效率的影响[J].香料香精化妆品,2008(3):13-16.
[2]Kawaguchi M,Inoue K,Yoshimura M,et al.Trace analysis of phenolic xenoestrogens in water sample by stir bar sorptive extraction with in situ derivatization and thermal desorption-gas chromatogtraphy–mass spectrometry[J].Journal of Chromatography.A,2004,1041:19-26.
[3]王小果、张汝国、张弘等.茸毛木蓝挥发性成分的全自动热脱附-气相色谱-质谱分析[J].云南大学学报(自然科学版),2013,35(S2):336-338.
[4]梁逸曾,许青松.复杂体系仪器分析—白、灰、黑分析体系及其多变量解析方法[M].北京:化学工业出版社,2012.1
[5]谢培山.中药色谱指纹图谱[M].北京:人民卫生出版社,2005.02
[6]李琳,王承潇,崔秀明等.活性三七饮片指纹图谱研究及单体皂苷含量测定[J].云南大学学报(自然科学版),2014,36(4):551-556.
[7]Barker M,Rayens W.Partial least squares for discrimination[J].Journal of Chemometrics,2003,17:166-173.
[8]Brereton R G.,Chemometrics for Pattern Recognition[M].A John Wiley&Son,Ltd.,UK,2009.
[9]Eriksson L,Johansson E,Kettaneh Wold N,et al.,Multi-and megavariate data analysis(PartⅠ,Ⅱ)[M].Sweden:Umetrics AB,2006.
[10]Galtier O,Dupuy N,Le Dreau Y,et al.Geographic Origins And Compositions Of Virgin Olive Oils Determinated By Chemometric Analysis Of NIR Spectra[J].Analytica Chinica Acta,2007,595(1-2):136-144.
[11]余金恒,许明忠,黄锋林等.烟用香精香料物质研究进展[J].河南农业科学,2011,40(2):16-18.
[12]毛多斌,张槐岭,贾春晓.卷烟香味化学[M].郑州:河南科学技术出版社,1994.
[13]熊国玺,王娜,司辉等.烟用香精的全二维气相色谱-飞行时间质谱定性分析[J].香料香精化妆品,2009(1):17-22,26.
[14]陈永宽,孔宁川,武怡等.2,3-二氢-3,5-二羟基-6-甲基-4(H)吡喃-4-酮的合成及热裂解行为[J].化学研究与应用,2003,15(1):45-47.
[15]刘强,候春,李海涛等.溶剂对一些醇类香料在卷烟中添加效率的影响[J].香料香精化妆品,2008(3):13-16.