ATR-MIR spectroscopy to predict commercial milk major components: A comparison between a handheld and a benchtop instrument
ATR-MIR spectroscopy to predict commercial milk major components: A comparison between a handheld and a benchtop instrument
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DOI：
10.1016/j.chemolab.2020.103995
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发表时间：
2020-05-15
影响因子：
3.9
通讯作者：
Giussani, Barbara
中科院分区：
文献类型：
--
作者：
Gorla, Giulia;Mestres, Montserrat;Giussani, Barbara
人们对可在样品源附近使用的测量技术的需求日益增长，光谱学就是这种技术的一个很好的例子：从实验室到现场。本研究探讨的可能性，以量化的主要成分，并检测存在或不存在的乳糖在商业牛奶与ATR-MIR光谱。我们探讨了使用便携式和经济的ATR-MIR仪器的可能性，将结果与台式系统进行比较。选择来自意大利、瑞士和西班牙的商业牛奶样品，涵盖蛋白质、碳水化合物和脂肪含量的最大变化范围。分析协议进行了优化，使其尽可能快速和可用的两种仪器，从样品预处理的仪器参数。多变量校准用于将记录的光谱与主要牛奶组分的含量相关联，同时进行分类以将具有或不具有乳糖的样品分类。比较了不同数据预处理、不同变量选择方法和不同验证系统建立的模型的预测能力，以获得最佳结果并确保模型的稳健性。
There is a growing need of measurement technologies that can be used close to the sample source and optical spectroscopy is an excellent example of this genre of technology: from the lab to the field. This study investigates the possibility to quantify the major components and to detect the presence or absence of lactose in commercial milks with ATR-MIR spectroscopy. We explored the possibility to use a portable and economical ATR-MIR instrument, comparing the results with a benchtop system. Commercial milk samples from Italy, Switzerland and Spain were chosen covering the maximum range of variation for protein, carbohydrate and fat content. The analytical protocol was optimized to make it as fast and useable as possible for both instruments, from the sample pretreatment to the instrumental parameters. Multivariate calibration was used to correlate the recorded spectra to the content of the major milk components, while a classification was done in order to classify samples with or without lactose. A comparison was performed between the predictive capabilities of the models built with different data pretreatments, different variable selection methods and different validation systems to obtain the best results and to assure robust models.