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
Ziniu Zhao, Hui Yan, H. Siesler
{"title":"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","authors":"Ziniu Zhao, Hui Yan, H. Siesler","doi":"10.56530/spectroscopy.va1382h7","DOIUrl":null,"url":null,"abstract":"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.","PeriodicalId":21957,"journal":{"name":"Spectroscopy","volume":null,"pages":null},"PeriodicalIF":0.8000,"publicationDate":"2022-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"2","resultStr":"{\"title\":\"Rapid Determination of the Peroxide Value of Edible Oil by Handheld NIR Spectroscopy in Combination with Wavelength Variables Selection and PLS Calibration\",\"authors\":\"Ziniu Zhao, Hui Yan, H. Siesler\",\"doi\":\"10.56530/spectroscopy.va1382h7\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"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.\",\"PeriodicalId\":21957,\"journal\":{\"name\":\"Spectroscopy\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.8000,\"publicationDate\":\"2022-11-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"2\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Spectroscopy\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.56530/spectroscopy.va1382h7\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"SPECTROSCOPY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Spectroscopy","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.56530/spectroscopy.va1382h7","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"SPECTROSCOPY","Score":null,"Total":0}
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。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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.
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
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.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信