生乳近红外光谱的温度校正

José Antonio, Díaz Olivares, Stef, Grauwels, Xinyue, Fu, Ines, Adriaens, Wouter, Saeys, Ryad, Bendoula, Jean-Michel, Roger, Ben, Aernouts
{"title":"生乳近红外光谱的温度校正","authors":"José Antonio, Díaz Olivares, Stef, Grauwels, Xinyue, Fu, Ines, Adriaens, Wouter, Saeys, Ryad, Bendoula, Jean-Michel, Roger, Ben, Aernouts","doi":"10.26434/chemrxiv-2024-ls0j0","DOIUrl":null,"url":null,"abstract":"Accurate milk composition analysis is crucial for improving product quality, economic efficiency, and animal health in the dairy industry. Near-infrared (NIR) spectroscopy can quantify milk composition quickly and nondestructively. However, external factors, such as temperature fluctuations, can alter the molecular vibrations and hydrogen bonding in milk, altering the NIR spectra and leading to errors in predicting key constituents such as fat, protein, and lactose. This study compares the effectiveness of Piecewise Direct Standardization (PDS), Continuous PDS (CPDS), External Parameter Orthogonalization (EPO), and Dynamic Orthogonal Projection (DOP in correcting the impact of temperature-induced variations on predictions in milk long-wave NIR spectra (LW-NIR, 1000 to 1700 nm).\nA total of 270 raw milk samples were analyzed, collecting both reflectance and transmittance spectra at five different temperatures (20°C, 25°C, 30°C, 35°C, and 40°C). The experimental setup ensured precise temperature control and accurate spectral measurements. PLSR models were calibrated at 30°C to predict milk fat, protein, and lactose content. The performance of these models was assessed before and after applying the temperature correction methods, with a primary focus on reflectance spectra.\nResults indicate that EPO and DOP significantly enhance model robustness and prediction accuracy across all temperatures, outperforming PDS and CPDS, especially for lactose prediction. These orthogonalization methods were compared against PLSR models calibrated with spectra from all temperatures. EPO and DOP showed comparable or superior performance, highlighting their effectiveness without requiring extensive temperature-specific calibration data. These findings suggest that orthogonalization methods are particularly suitable for in-line milk quality measurements under farm conditions where temperature control is challenging. This study highlights the potential of advanced chemometric techniques to improve real- time, on-farm milk composition analysis, facilitating better farm management and enhanced dairy product quality.","PeriodicalId":9813,"journal":{"name":"ChemRxiv","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Temperature Correction of Near-Infrared Spectra of Raw Milk\",\"authors\":\"José Antonio, Díaz Olivares, Stef, Grauwels, Xinyue, Fu, Ines, Adriaens, Wouter, Saeys, Ryad, Bendoula, Jean-Michel, Roger, Ben, Aernouts\",\"doi\":\"10.26434/chemrxiv-2024-ls0j0\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Accurate milk composition analysis is crucial for improving product quality, economic efficiency, and animal health in the dairy industry. Near-infrared (NIR) spectroscopy can quantify milk composition quickly and nondestructively. However, external factors, such as temperature fluctuations, can alter the molecular vibrations and hydrogen bonding in milk, altering the NIR spectra and leading to errors in predicting key constituents such as fat, protein, and lactose. This study compares the effectiveness of Piecewise Direct Standardization (PDS), Continuous PDS (CPDS), External Parameter Orthogonalization (EPO), and Dynamic Orthogonal Projection (DOP in correcting the impact of temperature-induced variations on predictions in milk long-wave NIR spectra (LW-NIR, 1000 to 1700 nm).\\nA total of 270 raw milk samples were analyzed, collecting both reflectance and transmittance spectra at five different temperatures (20°C, 25°C, 30°C, 35°C, and 40°C). The experimental setup ensured precise temperature control and accurate spectral measurements. PLSR models were calibrated at 30°C to predict milk fat, protein, and lactose content. The performance of these models was assessed before and after applying the temperature correction methods, with a primary focus on reflectance spectra.\\nResults indicate that EPO and DOP significantly enhance model robustness and prediction accuracy across all temperatures, outperforming PDS and CPDS, especially for lactose prediction. These orthogonalization methods were compared against PLSR models calibrated with spectra from all temperatures. EPO and DOP showed comparable or superior performance, highlighting their effectiveness without requiring extensive temperature-specific calibration data. These findings suggest that orthogonalization methods are particularly suitable for in-line milk quality measurements under farm conditions where temperature control is challenging. This study highlights the potential of advanced chemometric techniques to improve real- time, on-farm milk composition analysis, facilitating better farm management and enhanced dairy product quality.\",\"PeriodicalId\":9813,\"journal\":{\"name\":\"ChemRxiv\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-09-18\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"ChemRxiv\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.26434/chemrxiv-2024-ls0j0\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"ChemRxiv","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.26434/chemrxiv-2024-ls0j0","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0

摘要

准确的牛奶成分分析对于提高乳制品行业的产品质量、经济效益和动物健康至关重要。近红外(NIR)光谱可快速、无损地量化牛奶成分。然而,温度波动等外部因素会改变牛奶中的分子振动和氢键,从而改变近红外光谱,导致对脂肪、蛋白质和乳糖等主要成分的预测出现误差。本研究比较了分片直接标准化(PDS)、连续 PDS(CPDS)、外部参数正交化(EPO)和动态正交投影(DOP)在校正温度引起的变化对牛奶长波近红外光谱(LW-NIR,1000 至 1700 nm)预测的影响方面的有效性。共分析了 270 个原奶样品,收集了 5 种不同温度(20°C、25°C、30°C、35°C 和 40°C)下的反射和透射光谱。实验装置确保了精确的温度控制和准确的光谱测量。在 30°C 时校准 PLSR 模型,以预测牛奶中的脂肪、蛋白质和乳糖含量。结果表明,在所有温度下,EPO 和 DOP 都能显著提高模型的稳健性和预测准确性,性能优于 PDS 和 CPDS,尤其是在乳糖预测方面。这些正交化方法与使用所有温度光谱校准的 PLSR 模型进行了比较。EPO 和 DOP 的性能相当或更优,这表明它们无需大量特定温度的校准数据即可发挥功效。这些研究结果表明,正交化方法特别适用于温度控制难度较大的牧场条件下的在线牛奶质量测量。这项研究凸显了先进的化学计量学技术在改善实时牧场牛奶成分分析方面的潜力,有助于改善牧场管理和提高乳制品质量。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
Temperature Correction of Near-Infrared Spectra of Raw Milk
Accurate milk composition analysis is crucial for improving product quality, economic efficiency, and animal health in the dairy industry. Near-infrared (NIR) spectroscopy can quantify milk composition quickly and nondestructively. However, external factors, such as temperature fluctuations, can alter the molecular vibrations and hydrogen bonding in milk, altering the NIR spectra and leading to errors in predicting key constituents such as fat, protein, and lactose. This study compares the effectiveness of Piecewise Direct Standardization (PDS), Continuous PDS (CPDS), External Parameter Orthogonalization (EPO), and Dynamic Orthogonal Projection (DOP in correcting the impact of temperature-induced variations on predictions in milk long-wave NIR spectra (LW-NIR, 1000 to 1700 nm). A total of 270 raw milk samples were analyzed, collecting both reflectance and transmittance spectra at five different temperatures (20°C, 25°C, 30°C, 35°C, and 40°C). The experimental setup ensured precise temperature control and accurate spectral measurements. PLSR models were calibrated at 30°C to predict milk fat, protein, and lactose content. The performance of these models was assessed before and after applying the temperature correction methods, with a primary focus on reflectance spectra. Results indicate that EPO and DOP significantly enhance model robustness and prediction accuracy across all temperatures, outperforming PDS and CPDS, especially for lactose prediction. These orthogonalization methods were compared against PLSR models calibrated with spectra from all temperatures. EPO and DOP showed comparable or superior performance, highlighting their effectiveness without requiring extensive temperature-specific calibration data. These findings suggest that orthogonalization methods are particularly suitable for in-line milk quality measurements under farm conditions where temperature control is challenging. This study highlights the potential of advanced chemometric techniques to improve real- time, on-farm milk composition analysis, facilitating better farm management and enhanced dairy product quality.
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
自引率
0.00%
发文量
0
期刊最新文献
Exascale Quantum Mechanical Simulations: Navigating the Shifting Sands of Hardware and Software Hybrid synthesis of AMFC-derived amides using supported gold nanoparticles and acyl-coenzyme A ligases Non-covalent spin labelling of TRPC5 ion channels enables EPR studies of protein-ligand interactions An Efficient RI-MP2 Algorithm for Distributed Many-GPU Architectures Unusual Confinement-Induced Basicity and Proton-Mediated CH Activity of an Adipic Acid-Ammonium Cluster
×
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
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 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 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1