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食品与发酵工业  2020, Vol. 46 Issue (3): 257-263    DOI: 10.13995/j.cnki.11-1802/ts.022562
  分析与检测 本期目录 | 过刊浏览 | 高级检索 |
利用ICP-MS/MS测定白酒中无机元素的主成分分析及聚类分析
杨雯懿1, 郝婧2, 田佳于2, 黄建华2, 陈林2*
1 (中南大学 计算机学院,湖南 长沙,410083)
2 (湖南省中医药研究院,中药研究所,湖南 长沙,410013)
Principal component analysis and cluster analysis of inorganic elements in Baijiu using inductively coupled plasma tandem mass spectrometry
YANG Wenyi1, HAO Jing2, TIAN Jiayu2, HUANG Jianhua2, CHEN Lin2*
1 (School of Computer Science and Engineering, Central South University, Changsha 410083, China)
2 (Institute of Chinese Materia Medica, Hunan Academy of Traditional Chinese Medicine, Changsha 410013, China)
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摘要 建立电感耦合等离子体串联质谱(inductively coupled plasma tandem mass spectrometry,ICP-MS/MS)法测定18种白酒中14种无机元素的含量,研究白酒中无机元素含量的分布规律及其与白酒品种之间的关系。白酒样品经简单稀释后直接进样,采用ICP-MS/MS测定其中Mg、Al、Cr、Mn、Fe、Co、Ni、Cu、Zn、As、Se、Sr、Ba、Pb的含量,在MS/MS模式下,分别选择O2和NH3/He为反应气,消除质谱干扰,将分析结果进行标准化处理后利用SPSS主成分分析和聚类分析对无机元素分布进行评价。各元素的检出限为1.34~25.8 ng/L,加标回收率为93.0%~105%,相对标准偏差(RSD)≤3.84%,方法的检出限低、准确度好、稳定性和精密度高。主成分分析结果显示,积累方差的80.003%来自前5个主成分,18种白酒的特征元素为Al、Fe、Ba;聚类分析将18种白酒划分为4类,可实现白酒品种的初步判别,不同产地白酒中无机元素的含量具有明显差异性。
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杨雯懿
郝婧
田佳于
黄建华
陈林
关键词:  电感耦合等离子体串联质谱  白酒  无机元素  主成分分析  聚类分析    
Abstract: An analytical method for the determination of 14 inorganic elements in 18 Baijiu was developed by inductively coupled plasma tandem mass spectrometry (ICP-MS/MS). The distribution of inorganic elements in Baijiu and the relationship between inorganic elements and different kinds of Baijiu were investigated. After dilution, the Baijiu samples were directly injected into ICP-MS/MS for the determination the contents of Mg, Al, Cr, Mn, Fe, Co, Ni, Cu, Zn, As, Se, Sr, Ba and Pb. In the MS/MS mode, O2 and NH3/He were selected as reaction gases to remove spectral interference. The SPSS principal component analysis and cluster analysis were conducted to evaluate the distribution of inorganic elements after data standardizing. The detection limits for these analytes range from 1.34 to 25.8 ng/L. The recoveries of the samples were between 93.0% and 105%, and the relative standard deviation (RSD) was ≤3.84%. This method has low detection limit, high accuracy, stability and precision. The results of principal component analysis showed that 80.003% of the cumulative variances came from the first five principal components. Al, Fe and Ba may be the characteristic elements in 18 Baijiu. The cluster analysis showed that 18 Baijiu samples formed into four clusters, which could be used for the preliminary discrimination of different kinds of Baijiu. Moreover, the content of inorganic elements from different producing areas in China also showed significant differences, which could be used as an indicator for the discrimination of different Baijiu.
Key words:  inductively coupled plasma tandem mass spectrometry    Baijiu(Chinese liquor)    inorganic elements    principal component analysis    cluster analysis
收稿日期:  2019-10-09                出版日期:  2020-02-15      发布日期:  2020-03-13      期的出版日期:  2020-02-15
基金资助: 国家自然科学基金项目(81603400);长沙市杰出创新青年培养计划(kq1802017),长沙市科技计划项目(kq1901067),湖南省中医药研究院科研项目(201805)
作者简介:  本科生(陈林助理研究员为通讯作者,E-mail:lchencs@163.com)。
引用本文:    
杨雯懿,郝婧,田佳于,等. 利用ICP-MS/MS测定白酒中无机元素的主成分分析及聚类分析[J]. 食品与发酵工业, 2020, 46(3): 257-263.
YANG Wenyi,HAO Jing,TIAN Jiayu,et al. Principal component analysis and cluster analysis of inorganic elements in Baijiu using inductively coupled plasma tandem mass spectrometry[J]. Food and Fermentation Industries, 2020, 46(3): 257-263.
链接本文:  
http://sf1970.cnif.cn/CN/10.13995/j.cnki.11-1802/ts.022562  或          http://sf1970.cnif.cn/CN/Y2020/V46/I3/257
[1] 聂元皓, 徐岩, 吴群, 等. 芳香族化合物前体物质酪氨酸和苯丙氨酸在白酒中的来源解析[J].食品与发酵工业, 2018, 44(10): 1-6.
[2] DONG D, XHENG W, WANG W, et al. A new volatiles-based differentiation method of Chinese spirits using longpath gas-phase infrared spectroscopy [J]. Food Chemistry, 2014,155: 45-49.
[3] 范海燕, 范文来, 徐岩. 应用GC-O和GC-MS研究豉香型白酒挥发性香气成分[J].食品与发酵工业, 2015, 41(4): 147-152.
[4] SZYMCZYCHA-MADEJA A, WELNA M, JAMROZ P, et al. Advances in assessing the elemental composition of distilled spirits using atomic spectrometry[J]. TrAC Trends in Analytical Chemistry, 2015, 64: 127-135.
[5] 李永娇, 宋川, 张宿义, 等. ICP-MS 研究浓香型白酒发酵过程中多种金属元素的变化规律[J].食品工业科技, 2016, 37(17): 267-271.
[6] MOUTSATSOU A, CHALARAKIS E, ZARANGAS G. Influence of raw materials and distillation equipment on the heavy metal content of waste from an alcoholic anis-type beverage[J]. Journal of Hazardous Materials, 2003, 96(1): 53-64.
[7] NEVES E A, OLIVEIRA A, FERNANDES A P, et al. Simple and efficient elimination of copper(II) in sugar-cane spirits[J]. Food Chemistry, 2007, 101(1): 33-36.
[8] IBANEZ J G, CARREON-ALVAREZ A, BARCENA-SOTO M, et al. Metals in alcoholic beverages: A review of sources, effects, concentrations, removal, speciation, and analysis[J]. Journal of Food Composition and Analysis, 2008, 21(8): 672-683.
[9] MIKKELSEN Ø, SCHRØDER K H. Voltammetry using a dental amalgam electrode for heavy metal monitoring of wines and spirits[J]. Analytica Chimica Acta, 2002, 458(1): 249-256.
[10] 中华人民共和国国家卫生和计划生育委员会, 国家食品药品监督管理总局.GB 2762-2017, 食品安全国家标准食品中污染物限量[S].北京: 中国标准出版社, 2017.
[11] 万益群, 潘凤琴, 柳英霞, 等. 电感耦合等离子体原子发射光谱法测定白酒中23种微量元素[J].光谱学与光谱分析, 2009, 29(2): 499-503.
[12] 张建, 田志强, 卢垣宇, 等. 电感耦合等离子体质谱法检测白酒中28种元素[J]. 食品科学, 2013, 34(22): 257-260.
[13] 侯敏, 李志, 孙啸涛, 等. ICP-MS 直接进样法测定白酒中24 种金属元素[J].中国食品学报, 2017, 17(5): 239-246.
[14] AMAIS R S, VIRGILIO A, SCHIAVO D, et al. Tandem mass spectrometry (ICP-MS/MS) for overcoming molybdenum oxide interferences on Cd determination in milk[J]. Microchemical Journal, 2015, 120: 64-68.
[15] VETERE A, PRCFROCK D, SCHRADER W, et al. Quantitative and qualitative analysis of three classes of sulfur compounds in crude oil [J]. Angewandte Chemie International Edition, 2017, 56(36): 10 933-10 937.
[16] WHITTY-LEVEILLE L, DROUIN E, CONSTANTIN M, et al. Scandium analysis in silicon-containing minerals by inductively coupled plasma tandem mass spectrometry[J]. Spectrochimica Acta Part B, 2016, 118: 112-118.
[17] NELSON J, HOPFER H, SILVA F, et al. Evaluation of GC-ICP-MS/MS as a new strategy for specific heteroatom detection of phosphorus, sulfur, and chlorine determination in foods[J]. Journal of Agricultural and Food Chemistry, 2015, 63(18): 4 478-4 483.
[18] GUO W, JIN L, HU S, et al. Method development for the determination of total fluorine in foods by tandem inductively coupled plasma mass spectrometry with a mass-shift strategy[J]. Journal of Agricultural and Food Chemistry, 2017, 65: 3 406-3 412.
[19] BOTING K, TREU S, LEONHARD P, et al. First experimental proof of asymmetric charge transfer in ICP-MS/MS (ICP-QQQ-MS) through isotopically enriched oxygen as cell gas[J]. Journal of Analytical Atomic Spectrometry, 2014, 29(3): 578-582.
[20] OGRA Y, HIRATA T. Metallomics[M]. Germany: Springer, 2017: 183-194.
[21] VANHAECKEL F, VANHOE H, DAMS R, et al. The use of internal standards in ICP-MS[J]. Talanta, 1992, 39(7): 737-742.
[22] 中华人民共和国国家卫生部. GB 2757—2012, 食品安全国家标准蒸馏酒及其配制酒[S].北京: 中国标准出版社, 2012.
[23] 中华人民共和国国家质量监督检验检疫总局, 中国国家标准化管理委员会.GB 2762—2017, 白酒中锰的测定电感耦合等离子体原子发射光谱法[S].北京: 中国标准出版社, 2009.
[24] 周志华. 机器学习[M]. 北京: 清华大学出版社, 2016: 229-231.
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