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Characterization of Edible Oils Using NIR Spectroscopy and Chemometric Methods

机译:使用NIR光谱和化学计量方法表征食用油

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Authenticity and characterization of edible oils have become necessary to tackle the problems like adulteration and quality assurance of edible oils. The present paper deals with the use of Near Infrared (NIR) spectroscopy combined with exploratory data analysis methods for possible characterization and identification of eight different types of edible oils (sesame oil, safflower oil, mustard oil, palmolein oil, groundnut oil, extra virgin olive oil, canola oil and refined soya oil) used in Indian cuisine. NIR absorbance spectra covering the 1050-2400 nm spectral range of all the samples pertaining to eight different varieties of edible oil were collected. Spectra data has been corrected using iterative restricted least square (IRLS) method of baseline correction. The principal component analysis was used for exploratory analysis of edible oil spectra. Loadings vector of PCA has been used to select the important wavelength regions. Based on the loading vector five wavelength regions were selected. For each wavelength region PCA-DA, PLS-DA, and k-NN classification models were developed. Effect of different data pretreatment methods such as Savitzky-Golay smoothing, standard normal variate (SNV) correction, multiplicative scatter correction (MSC) and extended multiplicative scatter correction (EMSC) on the error rate of classifier has been presented. The result shows that in the wavelength region R4 (2110-2230 nm) all the classifiers have zero error rate with external validation samples. The thence proposed models using specific wavelength bands show good probability for characterization and identification of all the eight varieties of edible oil are presented.
机译:真实性和食用油的特性成为必需解决像掺假食用油的质量保证问题。与使用近红外(NIR)的本文件涉及光谱与可能的表征和八种不同类型的食用油(芝麻油,红花油,芥子油,棕榈油精油,花生油,特级初榨的识别探索性数据分析方法结合在印度美食中使用橄榄油,芥花油和精制大豆油)。 NIR吸收光谱涵盖所有属于八个不同品种的食用油的样品的1050至2400年纳米光谱范围内被收集。使用迭代限制基线校正的最小二乘(IRLS)方法光谱数据已被校正。用于食用油光谱的探索性分析的主成分分析。 PCA的荷载矢量已经被用于选择重要的波长范围。基于所述加载向量5的波长区域中选择。对于每一个波长区域PCA-DA,PLS-DA,和k-NN分类模型的开发工作。的不同的数据的预处理方法例如Savitzky-Golay平滑,标准正态变量(SNV)校正,乘法散射校正(MSC)和分类器的错误率扩展多元散射校正(EMSC)效应已被提出。结果表明,在波长区域R4(2110年至2230年纳米)中的所有分类器具有与外部验证样品零错误率。使用特定波段的那里提出的模型显示表征和所有八个品种的食用油都鉴定良好的概率。

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