Lamanna Raffaele, Imparato Giovanna, Tano Paola, Braca Angela, D'Ercole Mario, Ghianni Giovanni
ENEA Research Center of Trisaia, SS 106 Jonica Km 419.5, Rotondella, 75026, (MT), Italy.
CO.T.IR., SS 16 Nord 240, Vasto, 66054, (CH), Italy.
Magn Reson Chem. 2017 Jul;55(7):639-647. doi: 10.1002/mrc.4566. Epub 2017 Jan 17.
Proton NMR profiling is nowadays a consolidated technique for the identification of geographical origin of food samples. The common approach consists in correlating NMR spectra of food samples to their territorial origin by multivariate classification statistical algorithms. In the present work, we illustrate an alternative perspective to exploit territorial information, contained in the NMR spectra, which is based on the implementation of a geographic information system (GIS). Nuclear magnetic resonance spectra are used to build a GIS map permitting the identification of territorial regions having strong similarities in the chemical content of the produced food (terroir units). These terroir units can, in turn, be used as input for labeling samples to be analyzed by traditional classification methods. In this work, we describe the methods and the algorithms that permit to produce GIS maps from NMR profiles and apply the described method to the analysis of the geographical distribution of olive oils in an Italian region. In particular, we analyzed by H NMR up to 98 georeferenced olive oil samples produced in the Abruzzo Italian region. By using the first principal component of the NMR variables selected according to the Moran test, we produced a GIS map, in which we identified two regions incidentally corresponding to the provinces of Teramo and Pescara. We then labeled the samples according to the province of provenience and built an LDA model that provides a classification ability up to 99% . A comparison between the variables selected in the geostatistics and classification steps is finally performed. Copyright © 2016 John Wiley & Sons, Ltd.
如今,质子核磁共振波谱分析是一种用于识别食品样本地理来源的成熟技术。常见方法是通过多元分类统计算法将食品样本的核磁共振波谱与其地域来源相关联。在本研究中,我们阐述了一种利用核磁共振波谱中所含地域信息的不同视角,该视角基于地理信息系统(GIS)的应用。核磁共振波谱用于构建一个GIS地图,从而能够识别所生产食品化学组成具有高度相似性的地域区域(风土单元)。这些风土单元进而可作为输入,用于标记待通过传统分类方法分析的样本。在本研究中,我们描述了从核磁共振波谱生成GIS地图的方法和算法,并将所描述的方法应用于意大利某地区橄榄油地理分布的分析。具体而言,我们通过¹H NMR分析了意大利阿布鲁佐地区生产的多达98个带有地理参考信息的橄榄油样本。利用根据莫兰检验选择的核磁共振变量的第一主成分,我们生成了一个GIS地图,其中我们偶然识别出了两个分别对应泰拉莫省和佩斯卡拉省的区域。然后,我们根据样本的产地省份对样本进行标记,并构建了一个线性判别分析(LDA)模型,该模型的分类能力高达99%。最后,我们对在地质统计学和分类步骤中选择的变量进行了比较。版权所有© 2016约翰·威利父子有限公司。