Influence of a Measurement Procedure and Evaluation of Transflectance Sensing System for Quantifying Sunflower Oil Adulterations in Olive Oil. A Proof of Concept

IF 2.3 4区 化学 Q1 SOCIAL WORK
D. Castro-Reigía, M. Sierra, I. García, S. Sanllorente, L. A. Sarabia, M. C. Ortiz
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Abstract

The development of NIR instruments and/or their modification to adapt the measurements for each problem and improve its performance are crucial steps for the optimal measurement procedures. In this work, it is presented the development of an accessory for cuvettes designed to have the possibility to collect NIR spectra in transflectance mode. In that sense, it is aimed to investigate how different factors in the measurement procedure using this accessory influence both the NIR spectra and the subsequent calibration models for detecting adulterations with sunflower oil in olive oil. The purpose is to show how a proof of concept can be developed using chemometric tools. For that, every measurement condition influencing the spectra was evaluated with ASCA, visualizing how the use of different NIR devices, the sensor arrangement regarding the cuvette, the activation of the internal compensation system of temperature of the sensor, or the concentration levels of the adulterant affected the resulting spectra. Afterwards, every possible combination of the factors was explored through eight different PLS calibration models and their validation to examine if the factors also influenced the calibration models built for quantifying the sunflower oil present in the olive oil. It was found that not only were all factors significant regarding NIR measurements but also when quantifying adulterants. The best results of this proof of concept were obtained by arranging the sensor in a horizontal disposition regarding the cuvette and activating the internal compensation system of temperature. The capability of detection of the method for the particular oils used was 1.4% for probabilities of false positive and false negative of 0.05.

Abstract Image

测量方法对橄榄油中葵花籽油掺假量的影响及透射传感系统评价。概念验证
近红外仪器的发展和/或其修改以适应每个问题的测量并提高其性能是优化测量程序的关键步骤。在这项工作中,它提出了一个附件的发展,设计有可能收集近红外光谱在透光模式。从这个意义上说,目的是研究使用该附件的测量过程中的不同因素如何影响近红外光谱和随后的校准模型,以检测橄榄油中掺假的葵花籽油。目的是展示如何使用化学计量学工具开发概念验证。为此,使用ASCA评估了影响光谱的每个测量条件,可视化了不同近红外设备的使用、传感器在试管上的布置、传感器温度内部补偿系统的激活或掺假物的浓度水平对所得光谱的影响。随后,通过八种不同的PLS校准模型及其验证,探讨了每种可能的因素组合,以检查这些因素是否也影响了为量化橄榄油中葵花籽油而建立的校准模型。结果表明,这些因素不仅对近红外测量有显著影响,而且对掺假物的定量也有显著影响。该概念验证的最佳结果是通过将传感器布置在与试管相关的水平位置并激活内部温度补偿系统获得的。该方法对特定油脂的检测能力为1.4%,假阳性和假阴性概率为0.05。
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来源期刊
Journal of Chemometrics
Journal of Chemometrics 化学-分析化学
CiteScore
5.20
自引率
8.30%
发文量
78
审稿时长
2 months
期刊介绍: The Journal of Chemometrics is devoted to the rapid publication of original scientific papers, reviews and short communications on fundamental and applied aspects of chemometrics. It also provides a forum for the exchange of information on meetings and other news relevant to the growing community of scientists who are interested in chemometrics and its applications. Short, critical review papers are a particularly important feature of the journal, in view of the multidisciplinary readership at which it is aimed.
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