Optimisation of a new headspace mass spectrometry instrument. Discrimination of different geographical origin olive oils.
Optimisation of a new headspace mass spectrometry instrument. Discrimination of different geographical origin olive oils.
复制标题
新型顶空质谱仪器的优化。
DOI：
10.1016/j.chroma.2005.04.020
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发表时间：
2005
影响因子：
4.1
通讯作者：
M. Forina
中科院分区：
文献类型：
--
作者：
Concepción Cerrato Oliveros;R. Boggia;M. Casale;C. Armanino;M. Forina
组装了一台快速头空分析仪器，该仪器由自动进样系统直接耦合到质量检测器，无需进行任何色谱分离。一个合适的和原始的响应计算优化，通过实验设计，测量信号的辨别目的。研究人员分析了来自五个不同地中海地区的105种特级初榨橄榄油的挥发性成分。该系统收集的粗略信息通过著名的化学计量学技术(显示（主成分分析）、特征选择（逐步线性判别分析）和分类（线性判别分析）进行揭示和解释。通过交叉验证程序，93.4%的样本被正确分类，90.5%的样本被正确预测，而为充分验证分类规则而创建的外部测试集的80.0%被正确分配。
A fast head-space analysis instrument, constituted by an automatic sample introduction system directly coupled to a mass detector without performing any chromatographic separation, was assembled. A suitable and original response was computed to optimise, by experimental design, the measured signals for discrimination purposes. The volatile fractions of 105 extra virgin olive oils coming from five different Mediterranean areas were analysed. The rough information collected by this system was unravelled and explained by well-known chemometrical techniques of display (principal component analysis), feature selection (stepwise linear discriminant analysis) and classification (linear discriminant analysis). The 93.4% of samples resulted to be correctly classified and the 90.5% correctly predicted by cross-validation procedure, whilst the 80.0% of an external test set, created to full validate the classification rule, were correctly assigned.