GC/MS指纹图谱及系统聚类分析用于烟用爆珠内含物的测定
|
摘要
为分析烟用爆珠的内含物,采用正己烷振荡萃取-气相色谱-质谱(GC/MS)法分别对3种烟用爆珠8批次内含物样品及其稀释和掺兑样品中的主要挥发、半挥发性成分进行分离和鉴定,采用相对保留值和相对峰面积法对主要成分的保留时间和色谱峰进行处理,建立了烟用爆珠内含物GC/MS指纹图谱,并通过比较各批次烟用爆珠内含物及其稀释和掺兑样品的欧氏距离、夹角余弦、欧氏距离比值和相似度评价烟用爆珠内含物的质量稳定性。结果表明:(1)欧氏距离和欧氏距离比值能够在一定程度上反映烟用爆珠内含物的质量变化,可作为烟用爆珠内含物质量稳定性考察的重要指标。(2)利用系统聚类分析法可明显区分烟用爆珠内含物样品与其稀释和掺兑样品。(3)GC/MS指纹图谱结合系统聚类分析可用于烟用爆珠内含物质量稳定性的评价,且该方法操作简单、快速。
To analyze the main chemical components in breakable capsules for cigarette filter,the main volatile and semi-volatile components in three types of breakable capsules from eight batches of filters were analyzed.The dilutions and mixtures of the capsule contents were separated and determined by GC/MS after being dissolved and extracted by hexane. The GC/MS fingerprint spectra were aligned by retention times and chromatographic peaks of the main volatile and semi-volatile components together with relative retention values and relative peak areas. The quality consistency of chemical components in these breakable capsules from different batches was evaluated by comparing the values of Euclidean distance,angle cosine,Euclidean distance ratio and similarity from their dilutions and mixtures. The results showed that:1) Euclidean distance and Euclidean distance ratio could characterize the quality variation in chemical components to a certain extent,and could be used as important indexes for investigating the quality consistency of components. 2)The components in breakable capsules could be successfully distinguished from their dilutions and mixtures by the hierarchical cluster analysis. 3) The GC/MS fingerprinting with hierarchical cluster analysis was simple,rapid and suitable for evaluating the quality consistency of chemical components in breakable capsules for cigarette filter.
To analyze the main chemical components in breakable capsules for cigarette filter,the main volatile and semi-volatile components in three types of breakable capsules from eight batches of filters were analyzed.The dilutions and mixtures of the capsule contents were separated and determined by GC/MS after being dissolved and extracted by hexane. The GC/MS fingerprint spectra were aligned by retention times and chromatographic peaks of the main volatile and semi-volatile components together with relative retention values and relative peak areas. The quality consistency of chemical components in these breakable capsules from different batches was evaluated by comparing the values of Euclidean distance,angle cosine,Euclidean distance ratio and similarity from their dilutions and mixtures. The results showed that:1) Euclidean distance and Euclidean distance ratio could characterize the quality variation in chemical components to a certain extent,and could be used as important indexes for investigating the quality consistency of components. 2)The components in breakable capsules could be successfully distinguished from their dilutions and mixtures by the hierarchical cluster analysis. 3) The GC/MS fingerprinting with hierarchical cluster analysis was simple,rapid and suitable for evaluating the quality consistency of chemical components in breakable capsules for cigarette filter.
引文
[1]魏玮,卢荣杰,张季,等.一种基于液体弹珠的多功能型香烟爆珠及其制备方法:CN105361242A[P].2016-03-02.WEI Wei,LU Rongjie,ZHANG Ji,et al.A multifunctional cigarette explosion bead based on liquid marble and its preparation method:CN105361242A[P].2016-03-02.
[2]朱风鹏,李雪,罗彦波,等.爆珠破碎对主流烟气有害成分释放量和滤嘴截留的影响[J].烟草科技,2017,50(4):37-41.ZHU Fengpeng,LI Xue,LUO Yanbo,et al.Effects of capsule crushing on cigarette filter’s filtration and delivery of seven harmful components in mainstream cigarette smoke[J].Tobacco Science&Technology,2017,50(4):37-41.
[3]朴洪伟,金勇华,金钟国,等.甜橙香胶囊滤棒对烟气有害成分及卷烟香气特性的影响[J].郑州轻工业学院学报(自然科学版),2015,30(3/4):48-51.PIAO Hongwei,JIN Yonghua,JIN Zhongguo,et al.Effect of filter containing sweet-orange flavor capsule on harmful components in cigarette smoke and cigarette flavor characteristics[J].Journal of Zhengzhou University of Light Industry(Natural Science),2015,30(3/4):48-51.
[4]张晋,张琳.一种爆珠滤棒中爆珠的微波测定方法:CN105866140A[P].2016-08-17.ZHANG Jin,ZHANG Lin.A microwave method for capsule in capsule filter:CN105866140A[P].2016-08-17.
[5]朱亚峰,胡军,唐荣成,等.卷烟滤嘴加香研究进展[J].中国烟草学报,2011,17(6):104-109.ZHU Yafeng,HU Jun,TANG Rongcheng,et al.Recent advances in research and development in cigarette filter flavoring technique[J].Acta Tabacaria Sinica,2011,17(6):104-109.
[6]王欣.中药指纹图谱与质量控制[J].现代医药卫生,2005,21(15):1982-1983.WANG Xin.Chinese medicine fingerprint and quality control[J].Journal of Modern Medicine&Health,2005,21(15):1982-1983.
[7]雷君虎.烟用香精香料指纹图谱质量评价系统设计与实现[D].长沙:湖南师范大学,2010.LEI Junhu.Design and implementation of fingerprint spectrum quality evaluation system of cigarette flavor[D].Changsha:Hunan Normal University,2010.
[8]曲国福,陆舍铭,孟昭宇,等.色谱指纹图谱在烟用香精质量控制中的应用[J].烟草科技,2007(7):46-50.QU Guofu,LU Sheming,MENG Zhaoyu,et al.Application of chromatographic fingerprint spectrum in tobacco flavor quality control[J].Tobacco Science&Technology,2007(7):46-50.
[9]蒋健,杨君,黄芳芳,等.闪蒸-气相色谱指纹图谱及系统聚类分析用于烟用香精香料的测定[J].色谱,2011,29(6):549-553.JIANG Jian,YANG Jun,HUANG Fangfang,et al.Flash evaporation-gas chromatographic fingerprints with hierarchical cluster analysis for the determination of cigarette flavors[J].Chinese Journal of Chromatography,2011,29(6):549-553.
[10]曲国福,陆舍铭,詹家芬,等.固相微萃取-气相色谱/质谱法建立烟用香精指纹图谱[J].分析实验室,2007,27(5):91-94.QU Guofu,LU Sheming,ZHAN Jiafen,et al.Establishment of fingerprint of tobacco flavor by SPMEGC/MS[J].Chinese Journal of Analysis Laboratory,2007,27(5):91-94.
[11]ZHU Xiaolan,GAO Yun,CHEN Zhiyan,et al.Development of a chromatographic fingerprint of tobacco flavor by use of GC and GC-MS[J].Chromatographia,2009,69(7/8):735-742.
[12]HUANG Lanfang,WU Mingjian,ZHONG Kejun,et al.Fingerprint developing of coffee flavor by gas chromatography-mass spectrometry and combined chemometrics methods[J].Analytica Chimica Acta,2007,588(2):216-223.
[13]吴艾璟.食用香味料常用溶剂乳化性能研究及稳定性评价[D].贵阳:贵州大学,2015.WU Aijing.Research on emulsifying properties of common solvents of edible flavor and its emulsion stability[D].Guiyang:Guizhou University,2015.
[14]李希强,陆舍铭,王笛,等.烟用香精UPLC指纹图谱的夹角余弦、相关系数与欧氏距离评价[J].烟草科技,2008(12):37-41.LI Xiqiang,LU Sheming,WANG Di,et al.Evaluation of UPLC fingerprint spectrum of tobacco flavor with included angle cosine,correlation coefficient and Euclidean distance methodologies[J].Tobacco Science&Technology,2008(12):37-41.
[15]蔡宝昌,刘训红.常用中药材HPLC指纹图谱测定技术[M].北京:化学工业出版社,2005.CAI Baochang,LIU Xunhong.Commonly used Chinese medicinal materials HPLC fingerprint analysis technique[M].Beijing:Chemical Industry Press,2005.
[16]张艳芳,鲍峰伟,陈伟华,等.烟用香精香料的GCMS指纹图谱[J].烟草科技,2014(7):60-63.ZHANG Yanfang,BAO Fengwei,CHEN Weihua,et al.Fingerprint spectra of GC/MS of tobacco flavor[J].Tobacco Science&Technology,2014(7):60-63.
[17]余建英,何旭宏.数据统计分析与SPSS应用[M].北京:人民邮电出版社,2005.YU Jianying,HE Xuhong.Data statistics analysis and application of SPSS[M].Beijing:Posts and Telecom Press,2005.
[2]朱风鹏,李雪,罗彦波,等.爆珠破碎对主流烟气有害成分释放量和滤嘴截留的影响[J].烟草科技,2017,50(4):37-41.ZHU Fengpeng,LI Xue,LUO Yanbo,et al.Effects of capsule crushing on cigarette filter’s filtration and delivery of seven harmful components in mainstream cigarette smoke[J].Tobacco Science&Technology,2017,50(4):37-41.
[3]朴洪伟,金勇华,金钟国,等.甜橙香胶囊滤棒对烟气有害成分及卷烟香气特性的影响[J].郑州轻工业学院学报(自然科学版),2015,30(3/4):48-51.PIAO Hongwei,JIN Yonghua,JIN Zhongguo,et al.Effect of filter containing sweet-orange flavor capsule on harmful components in cigarette smoke and cigarette flavor characteristics[J].Journal of Zhengzhou University of Light Industry(Natural Science),2015,30(3/4):48-51.
[4]张晋,张琳.一种爆珠滤棒中爆珠的微波测定方法:CN105866140A[P].2016-08-17.ZHANG Jin,ZHANG Lin.A microwave method for capsule in capsule filter:CN105866140A[P].2016-08-17.
[5]朱亚峰,胡军,唐荣成,等.卷烟滤嘴加香研究进展[J].中国烟草学报,2011,17(6):104-109.ZHU Yafeng,HU Jun,TANG Rongcheng,et al.Recent advances in research and development in cigarette filter flavoring technique[J].Acta Tabacaria Sinica,2011,17(6):104-109.
[6]王欣.中药指纹图谱与质量控制[J].现代医药卫生,2005,21(15):1982-1983.WANG Xin.Chinese medicine fingerprint and quality control[J].Journal of Modern Medicine&Health,2005,21(15):1982-1983.
[7]雷君虎.烟用香精香料指纹图谱质量评价系统设计与实现[D].长沙:湖南师范大学,2010.LEI Junhu.Design and implementation of fingerprint spectrum quality evaluation system of cigarette flavor[D].Changsha:Hunan Normal University,2010.
[8]曲国福,陆舍铭,孟昭宇,等.色谱指纹图谱在烟用香精质量控制中的应用[J].烟草科技,2007(7):46-50.QU Guofu,LU Sheming,MENG Zhaoyu,et al.Application of chromatographic fingerprint spectrum in tobacco flavor quality control[J].Tobacco Science&Technology,2007(7):46-50.
[9]蒋健,杨君,黄芳芳,等.闪蒸-气相色谱指纹图谱及系统聚类分析用于烟用香精香料的测定[J].色谱,2011,29(6):549-553.JIANG Jian,YANG Jun,HUANG Fangfang,et al.Flash evaporation-gas chromatographic fingerprints with hierarchical cluster analysis for the determination of cigarette flavors[J].Chinese Journal of Chromatography,2011,29(6):549-553.
[10]曲国福,陆舍铭,詹家芬,等.固相微萃取-气相色谱/质谱法建立烟用香精指纹图谱[J].分析实验室,2007,27(5):91-94.QU Guofu,LU Sheming,ZHAN Jiafen,et al.Establishment of fingerprint of tobacco flavor by SPMEGC/MS[J].Chinese Journal of Analysis Laboratory,2007,27(5):91-94.
[11]ZHU Xiaolan,GAO Yun,CHEN Zhiyan,et al.Development of a chromatographic fingerprint of tobacco flavor by use of GC and GC-MS[J].Chromatographia,2009,69(7/8):735-742.
[12]HUANG Lanfang,WU Mingjian,ZHONG Kejun,et al.Fingerprint developing of coffee flavor by gas chromatography-mass spectrometry and combined chemometrics methods[J].Analytica Chimica Acta,2007,588(2):216-223.
[13]吴艾璟.食用香味料常用溶剂乳化性能研究及稳定性评价[D].贵阳:贵州大学,2015.WU Aijing.Research on emulsifying properties of common solvents of edible flavor and its emulsion stability[D].Guiyang:Guizhou University,2015.
[14]李希强,陆舍铭,王笛,等.烟用香精UPLC指纹图谱的夹角余弦、相关系数与欧氏距离评价[J].烟草科技,2008(12):37-41.LI Xiqiang,LU Sheming,WANG Di,et al.Evaluation of UPLC fingerprint spectrum of tobacco flavor with included angle cosine,correlation coefficient and Euclidean distance methodologies[J].Tobacco Science&Technology,2008(12):37-41.
[15]蔡宝昌,刘训红.常用中药材HPLC指纹图谱测定技术[M].北京:化学工业出版社,2005.CAI Baochang,LIU Xunhong.Commonly used Chinese medicinal materials HPLC fingerprint analysis technique[M].Beijing:Chemical Industry Press,2005.
[16]张艳芳,鲍峰伟,陈伟华,等.烟用香精香料的GCMS指纹图谱[J].烟草科技,2014(7):60-63.ZHANG Yanfang,BAO Fengwei,CHEN Weihua,et al.Fingerprint spectra of GC/MS of tobacco flavor[J].Tobacco Science&Technology,2014(7):60-63.
[17]余建英,何旭宏.数据统计分析与SPSS应用[M].北京:人民邮电出版社,2005.YU Jianying,HE Xuhong.Data statistics analysis and application of SPSS[M].Beijing:Posts and Telecom Press,2005.