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Correlation structure between agroclimatic big data and EVOO fatty acid profile determined by GC and NMR spectra
Journal of Chemometrics ( IF 2.4 ) Pub Date : 2020-06-23 , DOI: 10.1002/cem.3273
María Isabel Sánchez‐Rodríguez 1 , Elena M. Sánchez‐López 2 , Alberto Marinas 2 , José M. Caridad 1 , Francisco J. Urbano 2
Affiliation  

Fatty acids are the major compounds in olive oils, and the determination of their profile is very useful in order for the authentication of the high quality of extra virgin olive oil (EVOO) and the evaluation of its purity and traceability. This work considers the estimations of saturated (SAFA), monounsaturated (MUFA) and polyunsaturated (PUFA) fatty acids obtained by gas chromatography (GC), 13C (carbonyl, C‐16, and aliphatic carbons regions), and 1H NMR spectra. The aim of this paper is to analyze the correlation structure being between the abovementioned fatty acids estimations and some long‐run agroclimatic measurements (temperature, humidity, wind speed and direction, radiation, precipitation, and evapotranspiration), which were downloaded from the official website of the Andalusian Automatic Weather Stations (AWSs). The versatile graphical possibilities of the free software R‐project allow the design of computational programs providing interesting conclusions about the described correlations as a function of month, variety of olive, and protected designation of origin (PDO). The statistically significant correlations could determine relevant agroclimatic information to be included, in a further research, among the explanatory variables in regression models in order to improve the estimation of fatty acid profile of EVOOs, considered as a quality parameter in their authentication.

中文翻译:

通过GC和NMR光谱确定的农业气候大数据与EVOO脂肪酸谱之间的相关结构

脂肪酸是橄榄油中的主要化合物,其特征的确定对于鉴定特级初榨橄榄油(EVOO)的高质量以及评估其纯度和可追溯性非常有用。这项工作认为饱和(SAFA)的估计,单不饱和的(MUFA)和通过气相色谱法(GC),多不饱和获得(PUFA)脂肪酸13 C(羰基,C-16,与脂族碳的区域),和11 H NMR谱。本文旨在分析上述脂肪酸估算值与一些长期农业气候测量值(温度,湿度,风速和风向,辐射,降水和蒸散量)之间的相关结构,这些测量值可从官方网站下载安达卢西亚自动气象站(AWS)。自由软件R‐project的多种图形功能允许设计计算程序,以月,橄榄的种类和受保护的原产地标记(PDO)为函数,提供有关上述相关性的有趣结论。统计上的显着相关性可以确定相关的农业气候信息,以便在进一步研究中将其纳入回归模型的解释变量中,以改善对EVOOs脂肪酸谱的估计,EVOOs的脂肪酸谱在其验证中被视为质量参数。
更新日期:2020-08-05
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