结合波长变量选择和PLS校准的手持近红外光谱快速测定食用油的过氧化值

IF 0.8 4区 化学 Q4 SPECTROSCOPY Spectroscopy Pub Date : 2022-11-01 DOI:10.56530/spectroscopy.va1382h7
Ziniu Zhao, Hui Yan, H. Siesler
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引用次数: 2

摘要

石油中过氧化值(PV)的检测在人们的日常生活中具有重要意义,特别是作为一种快速、方便、现场的检测方法。为了解决这一问题,使用Viavi MicroNIR 1700手持式近红外光谱仪和液体样品传输附件收集了石油的近红外(NIR)光谱。在标准正态变量(SNV)光谱预处理方法的基础上,采用竞争自适应重加权采样(CARS)、遗传算法(GA)和随机蛙(RF)算法对敏感波长变量进行优化。结果表明CARS是最优的,选取的变量建立偏最小二乘(PLS)回归模型。交叉验证(RMSECV)和预测(RMSEP)的均方根误差(RMSE)分别为0.984 mmol/kg和0.950 mmol/kg, R2cv和R2P分别为0.875和0.867。因此,使用手持式近红外光谱仪可以方便、快速地测定食用油中的PV。
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Rapid Determination of the Peroxide Value of Edible Oil by Handheld NIR Spectroscopy in Combination with Wavelength Variables Selection and PLS Calibration
Detecting the peroxide value (PV) in oil is significant for people in everyday life, especially as a fast, convenient, and on-site method. To tackle this challenge, the near-infrared (NIR) spectra of oil were collected by a Viavi MicroNIR 1700 handheld NIR spectrometer and a liquid sample transmission accessory. Subsequently to the spectral pretreatment method of standard normal variate (SNV), the sensitive wavelength variables were optimized by the algorithms of competitive adaptive reweighted sampling (CARS), genetic algorithms (GA), and random frog (RF). The results showed that CARS was the best, and the selected variables were used to build the partial least squares (PLS) regression model. The root mean square error (RMSE) values for cross-validation (RMSECV) and prediction (RMSEP) were 0.984 mmol/ kg and 0.950 mmol/kg, respectively, and the corresponding R2cv and R2P were 0.875, and 0.867, respectively. Therefore, the PV of edible oil can be determined easily and quickly with a handheld NIR spectrometer.
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来源期刊
Spectroscopy
Spectroscopy 物理-光谱学
CiteScore
1.10
自引率
0.00%
发文量
0
审稿时长
3 months
期刊介绍: Spectroscopy welcomes manuscripts that describe techniques and applications of all forms of spectroscopy and that are of immediate interest to users in industry, academia, and government.
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