A miniaturized NIR-based approach for quantifying fat content and cow milk adulteration in goat milk

IF 4.3 2区化学 Q1 SPECTROSCOPY

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2025-05-05 DOI:10.1016/j.saa.2025.126341

Hellen Jainne do Nascimento Pereira , Elainy Virgínia dos Santos Pereira , José Leonardo Alves Ferreira , Raissa Tavares Estavam Ramalho , David Douglas de Sousa Fernandes , Paulo Henrique Gonçalves Dias Diniz

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引用次数: 0

Abstract

This study introduces a novel approach for determining the fat content and cow milk adulteration in goat milk using a miniaturized NIR spectrometer coupled with multivariate calibration frameworks based on the Successive Projections Algorithm for variable and interval selection in Multiple Linear Regression (SPA-MLR) and Partial Least Squares (iSPA-PLS). An 11-point Savitzky-Golay smoothing (SGS) demonstrated the best predictive performance among the preprocessing techniques. The SGS/iSPA-PLS model achieved correlation coefficients (r_pred) of 0.97 and 0.99, root mean square errors of prediction (RMSEP) of 0.12 g/100 g and 2.15 g/100 g, ratios of performance to deviation (RPD) of 4.32 and 8.96, and relative errors of prediction (REP) of 2.70 % and 8.04 % for the fat content estimation and cow milk adulteration detection, respectively. This methodology addresses key challenges in compositional variability and adulteration, offering a robust tool for advancing goat milk quality control in both research and industrial settings.

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一种小型的基于nir的羊奶中脂肪含量和牛奶掺假定量方法

本研究介绍了一种新的测定羊奶中脂肪含量和牛奶掺假的方法，该方法使用小型化近红外光谱仪，结合基于多元线性回归（SPA-MLR）和偏最小二乘（iSPA-PLS）中变量和区间选择的连续投影算法的多元校准框架。11点Savitzky-Golay平滑（SGS）在预处理技术中表现出最好的预测性能。SGS/iSPA-PLS模型对脂肪含量估算和牛奶掺假检测的相关系数（rpred）分别为0.97和0.99，预测均方根误差（RMSEP）分别为0.12和2.15 g/100 g，性能偏差比（RPD）分别为4.32和8.96，相对预测误差（REP）分别为2.70%和8.04%。该方法解决了成分变异性和掺假的关键挑战，为研究和工业环境中推进羊奶质量控制提供了强有力的工具。

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来源期刊

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 物理-光谱学

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.