Developing robust food composition models: Strategies for handling temperature and packaging variations in dry-cured ham using near infrared spectrometry

IF 4.6 2区 化学 Q1 SPECTROSCOPY Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-05-05 Epub Date: 2025-01-30 DOI:10.1016/j.saa.2025.125823
E. Fulladosa , M.W.S. Chong , A.J. Parrott , R. dos Santos , J. Russell , A. Nordon
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Abstract

Low-cost near infrared devices intended for consumers able to easily determine composition and quality of food products may boost adoption of sustainable healthy diets. However, predictive algorithms robust to external variations are needed. The aim of this work was to evaluate different data analysis strategies to develop robust predictive models for food composition when using spectrometric data subjected to external variations, specifically temperature and packaging material, acquired using low-cost sensors. Usefulness of global modelling (GM), Generalised least squares weighting (GLSW), Loading space standardisation (LSS), Multiplicative Effects Model (MEM) were explored, and the effect of samples heterogeneity evaluated. To do so, two low-cost handheld NIR-based devices with different spectral ranges and resolutions were used. The food matrix samples were obtained from different anatomical muscles of commercial dry-cured ham. Spectra were acquired on two types of packaging films at different temperatures to further explore the usefulness of global modelling (GM), generalised least squares weighting (GLSW), loading space standardisation (LSS), and multiplicative effects model (MEM) to retrieve these effects. Results show that the inherent food sample heterogeneity produces as much spectral variability as temperature and packaging materials. For temperature compensation, LSS did not decrease the predictive error caused by this factor probably due to the heterogeneity of the samples used. In contrast, the GLSW method decreased the predictive errors from 0.52% to 0.46% for salt and from 2.10% to 1.40% for water.. Only a slight effect of packaging was observed, and GM models were found to be the best strategy to compensate it, showing a decrease of bias from −1.35 to 0.012. The examined compensation strategies could facilitate the deployment of low-cost spectrometers for consumer use, as they offer an effective means to mitigate or eliminate variations from any source in the data that are unrelated to the properties of interest.

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发展稳健的食品成分模型:使用近红外光谱法处理干腌火腿的温度和包装变化的策略
面向消费者的低成本近红外设备能够轻松确定食品的成分和质量,这可能会促进可持续健康饮食的采用。然而,需要对外部变化具有鲁棒性的预测算法。这项工作的目的是评估不同的数据分析策略,以便在使用使用低成本传感器获得的受外部变化(特别是温度和包装材料)影响的光谱数据时,开发可靠的食品成分预测模型。探讨了全局模型(GM)、广义最小二乘加权(GLSW)、装载空间标准化(LSS)、乘法效应模型(MEM)的有效性,并评估了样本异质性的影响。为此,使用了两种具有不同光谱范围和分辨率的低成本手持nir设备。食品基质样品取自商业干腌火腿的不同解剖肌肉。在不同温度下获取两种类型的包装薄膜的光谱,以进一步探索全局建模(GM)、广义最小二乘加权(GLSW)、装载空间标准化(LSS)和乘法效应模型(MEM)在检索这些效应方面的有效性。结果表明,食品样品固有的非均质性与温度和包装材料一样会产生光谱变化。对于温度补偿,LSS并没有降低这一因素引起的预测误差,这可能是由于所用样品的异质性。相比之下,GLSW方法对盐的预测误差从0.52%降低到0.46%,对水的预测误差从2.10%降低到1.40%。仅观察到包装的轻微影响,转基因模型被发现是补偿它的最佳策略,显示偏差从- 1.35降低到0.012。所研究的补偿策略可以促进消费者使用低成本光谱仪的部署,因为它们提供了一种有效的方法来减轻或消除数据中与感兴趣的属性无关的任何来源的变化。
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来源期刊
CiteScore
8.40
自引率
11.40%
发文量
1364
审稿时长
40 days
期刊介绍: Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) is an interdisciplinary journal which spans from basic to applied aspects of optical spectroscopy in chemistry, medicine, biology, and materials science. The journal publishes original scientific papers that feature high-quality spectroscopic data and analysis. From the broad range of optical spectroscopies, the emphasis is on electronic, vibrational or rotational spectra of molecules, rather than on spectroscopy based on magnetic moments. Criteria for publication in SAA are novelty, uniqueness, and outstanding quality. Routine applications of spectroscopic techniques and computational methods are not appropriate. Topics of particular interest of Spectrochimica Acta Part A include, but are not limited to: Spectroscopy and dynamics of bioanalytical, biomedical, environmental, and atmospheric sciences, Novel experimental techniques or instrumentation for molecular spectroscopy, Novel theoretical and computational methods, Novel applications in photochemistry and photobiology, Novel interpretational approaches as well as advances in data analysis based on electronic or vibrational spectroscopy.
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