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二维相关红外谱结合PARAFAC?MLR判别掺杂牛奶
  • ISSN号:1000-0593
  • 期刊名称:《光谱学与光谱分析》
  • 时间:0
  • 分类:O657[理学—分析化学;理学—化学]
  • 作者机构:[1] 天津农学院工程技术学院,天津300384, [2] 天津农学院农业分析测试中心,天津300384
  • 相关基金:天津市大学生创新项目“二维相关谱计算软件的编制及应用”(201410061182);国家自然科学基金项目“基于二维相关谱掺伪牛奶检测方法研究”(31201359)
中文摘要:

将二维相关红外谱与平行因子、多元线性回归方法相结合,建立了掺杂牛奶与纯牛奶的判别模型。采集48个合格牛奶样品,配置浓度范围均为0.01-0.30 g/L的掺杂三聚氰胺牛奶、掺杂尿素牛奶和掺杂四环素牛奶各16个,并在900-1700 cm-1采集各样品的常规一维谱。对各样品在900-1200 cm-1与1200-1700 cm-1进行同步二维相关计算,构建了纯牛奶与掺杂牛奶的二维红外相关谱。采用平行因子算法对所有样品二维相关谱构成的三维矩阵进行三线性分解,得到其得分矩阵。在此基础上,将其得分矩阵与多元线性回归方法相结合,分别建立了掺杂三聚氰胺牛奶、掺杂尿素牛奶、掺杂四环素牛奶与纯牛奶的判别模型。利用所建立的模型,对未知样品进行预测,取得了较好的判别结果。

英文摘要:

The discriminant models of adulterated milk and pure milk were constructed using two-dimensional (2D) infrared correlation spectroscopy by PARAFAC and multivariable linear regression (MLR). First, a total of 96 samples including 48 pure milk samples and three types of adulterated milk (16 melamine-tainted milk, 16 urea-tainted milk, and 16 tetracycline-tainted milk) were prepared. The concentration ranges of all adulterants were 0.01-0.30 g?L-1. The mid-infrared spectra of all samples were measured in the regions of 900-1 700 cm-1. Then, the synchronous 2D correlation spectra of all samples were calculated in the region between 900-1 200 cm-1 and 1 200-1 700 cm-1. The 2D correlation spectra of all samples were analyzed based on trilinear decomposition using PARAFAC. Finally, the discriminant models for melamine-tainted milk, urea-tainted milk and tetracycline-tainted milk were constructed combined score matrix extracted from 2D correlation spectra using PARAFAC with MLR. The unknown samples were predicted using the constructed models in prediction set. The results show that using a combination of 2D IR correlation spectra and PARAFAC-MLR is an effective analytical method for the classification of adulterated milk and pure milk.

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期刊信息
  • 《光谱学与光谱分析》
  • 中国科技核心期刊
  • 主管单位:中国科学技术协会
  • 主办单位:中国光学学会
  • 主编:高松
  • 地址:北京海淀区魏公村学院南路76号
  • 邮编:100081
  • 邮箱:chngpxygpfx@vip.sina.com
  • 电话:010-62181070
  • 国际标准刊号:ISSN:1000-0593
  • 国内统一刊号:ISSN:11-2200/O4
  • 邮发代号:82-68
  • 获奖情况:
  • 1992年北京出版局编辑质量奖,1996年中国科协优秀科技期刊奖,1997-2000获中国科协择优支持基础性高科技学术期刊奖
  • 国内外数据库收录:
  • 俄罗斯文摘杂志,美国化学文摘(网络版),荷兰文摘与引文数据库,美国工程索引,美国生物医学检索系统,美国科学引文索引(扩展库),英国科学文摘数据库,日本日本科学技术振兴机构数据库,中国中国科技核心期刊,中国北大核心期刊(2004版),中国北大核心期刊(2008版),中国北大核心期刊(2011版),中国北大核心期刊(2014版),英国英国皇家化学学会文摘,中国北大核心期刊(2000版)
  • 被引量:40642