不同光谱分析中多重散射消除方法的改进

IF 4 2区 农林科学 Q2 CHEMISTRY, APPLIED
Huihui Yang , Yutang Wang , Qing Chen , Xiaolong Yang , Housen Zhang , Fengzhong Wang , Long Li
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引用次数: 0

摘要

可见近红外(VIS-NIR)光谱技术的引入为提高食品内部质量分析的准确性和效率提供了有力的工具。然而,样品物理性质的变化引起的散射效应经常干扰光谱信号,影响模型在复杂混合物定量分析中的性能。本研究采用了16种光谱预处理方法,其中8种常用的预处理方法单独应用,8种与自主开发的光谱比(SR)技术相融合。采用偏最小二乘(PLS)和随机森林(RF)算法对目标参数的定量评价进行关联。对于肉类样品,SR联合标准正态变量(SR- snv)预处理效果最佳。PLS模型对水分、蛋白质和脂肪的检验集R2分别为0.992、0.970和0.994,相应的RMSE分别为1.004 %、0.581 %和1.108 %。在柑橘分析中,SR-AUTO预处理对酸度产生最佳PLS模型(R2= 0.739, RMSE=0.665 %),SR-SNV预处理对糖含量产生最佳PLS模型(R2=0.733, RMSE=0.582 %)。本研究为食品中关键内部质量指标的快速、准确量化建立了一个强有力的框架。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
An improvement of multiplicative scattering elimination method of different spectroscopic analysis for assessing complex mixtures
The introduction of visible near-infrared (VIS-NIR) spectroscopy provides a powerful tool for enhancing the accuracy and efficiency of food internal quality analysis. However, scattering effects caused by variations in sample physical properties often interfere spectral signals, compromising the model performance in quantitative analyses of complex mixtures. Herein, this study adopted 16 spectral preprocessing methods, including eight common preprocessing methods applied individually and eight fused with self- developed spectral ratio (SR) technique. Partial least squares (PLS) and Random Forest (RF) algorithms were performed to correlate the quantitative evaluation of the target parameters. For meat samples, SR combined with standard normal variate (SR-SNV) preprocessing yielded optimal results. PLS models achieved test set R2 of 0.992 for moisture, 0.970 for protein, and 0.994 for fat, with corresponding RMSE of 1.004 %, 0.581 %, and 1.108 %. In citrus analysis, SR-AUTO preprocessing produced the best PLS model for acidity (test set R2=0.739, RMSE=0.665 %), while SR-SNV preprocessing performed optimally for sugar content (R2=0.733, RMSE=0.582 %). This study establishes a robust framework for rapid, accurate quantification of key internal quality indicators in food products.
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来源期刊
Journal of Food Composition and Analysis
Journal of Food Composition and Analysis 工程技术-食品科技
CiteScore
6.20
自引率
11.60%
发文量
601
审稿时长
53 days
期刊介绍: The Journal of Food Composition and Analysis publishes manuscripts on scientific aspects of data on the chemical composition of human foods, with particular emphasis on actual data on composition of foods; analytical methods; studies on the manipulation, storage, distribution and use of food composition data; and studies on the statistics, use and distribution of such data and data systems. The Journal''s basis is nutrient composition, with increasing emphasis on bioactive non-nutrient and anti-nutrient components. Papers must provide sufficient description of the food samples, analytical methods, quality control procedures and statistical treatments of the data to permit the end users of the food composition data to evaluate the appropriateness of such data in their projects. The Journal does not publish papers on: microbiological compounds; sensory quality; aromatics/volatiles in food and wine; essential oils; organoleptic characteristics of food; physical properties; or clinical papers and pharmacology-related papers.
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