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Classification of olive oils according to geographical origin by using 1H NMR fingerprinting combined with multivariate analysis

机译:通过1H NMR指纹图谱与多变量分析相结合的地理分类对橄榄油进行分类

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摘要

Authentic extravirgin olive oils from 7 different regions (Italy - 3 regions, Greece - 4 regions) have been investigated by 1H Nuclear Magnetic Resonance (NMR) fingerprinting in combination with multivariate statistical analysis. In order to cover the dominating lipid signals as well as signals from compounds of low abundance in the oil, both a simple one pulse experiment and an experiment with multiple saturation of the lipid signals was applied to each sample. Thus, the dynamic range of concentrations covered by the two experiments was of the order of 100,000 allowing for a more comprehensive NMR assessment of the samples. Monte-Carlo embedded cross-validation was used to demonstrate that a combination of principal component analysis, canonical analysis, and classification via nearest class mean can be used to predict the origin of olive oil samples from 'H NMR data. Given the rather limited number of samples tested, correct prediction probabilities of 78% were achieved with region specific correct predictions between 53% and 100%.
机译:通过1H核磁共振(NMR)指纹图谱与多变量统计分析相结合,研究了来自7个不同地区(意大利-3个地区,希腊-4个地区)的纯正初榨橄榄油。为了覆盖主要的脂质信号以及来自油中低丰度化合物的信号,将简单的单脉冲实验和具有多个脂质信号饱和度的实验应用于每个样品。因此,两个实验所涵盖的浓度的动态范围约为100,000,从而可以对样品进行更全面的NMR评估。蒙特卡洛嵌入式交叉验证用于证明主成分分析,规范分析和通过最近的类别平均值分类的组合可以用来从1 H NMR数据预测橄榄油样品的来源。鉴于测试的样本数量有限,正确区域的正确预测概率在53%至100%之间,可达到78%的正确预测概率。

著录项

  • 来源
    《Food Chemistry》 |2012年第1期|p.177-183|共7页
  • 作者单位

    Dipartimento di Chimica, Universita degli Studi di Bart 'Aldo Mow', Via Orabona 4, 70126 Bali, Italy;

    Dipartimento di Chimica, Universita degli Studi di Bart 'Aldo Mow', Via Orabona 4, 70126 Bali, Italy;

    Bruker BioSpin S.r.l., Viale Lancetti 43, 20158 Milano, Italy;

    Bruker BioSpin GmbH, Silberstreifen, D-76287 Rheinstetten, Germany;

    Bruker BioSpin GmbH, Silberstreifen, D-76287 Rheinstetten, Germany;

    Bruker BioSpin GmbH, Silberstreifen, D-76287 Rheinstetten, Germany;

    Laboratory of Food Chemistry and Technology, Department of Chemistry, University ofloannina, P.O. Box 1186, 45110 loannina, Greece;

    Dipartimento di Chimica, Universita degli Studi di Bart 'Aldo Mow', Via Orabona 4, 70126 Bali, Italy;

  • 收录信息 美国《科学引文索引》(SCI);美国《生物学医学文摘》(MEDLINE);
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    ~1H NMR; fingerprinting; multi-signal suppression sequence; multivariate statistical analysis; olive oil; geographic origin;

    机译:约1 H NMR;指纹多信号抑制序列多元统计分析;橄榄油;地理起源;

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