Classification and determination of total protein in milk powder using near infrared reflectance spectrometry and the successive projections algorithm for variable selection

IF 2.7 3区 化学 Q2 CHEMISTRY, ANALYTICAL Vibrational Spectroscopy Pub Date : 2011-11-01 DOI:10.1016/j.vibspec.2011.07.002
Maria Raquel Cavalcanti Inácio, Maria de Fátima Vitória de Moura, Kássio Michell Gomes de Lima
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引用次数: 41

Abstract

This paper proposes a methodology for the classification and determination of total protein in milk powder using near infrared reflectance spectrometry (NIRS) and variable selection. Two brands of milk powder were acquired from three Brazilian cities (Natal-RN, Salvador-BA and Rio de Janeiro-RJ). The protein content of 38 samples was determined by the Kjeldahl method and NIRS analysis. Principal component regression (PCR) and partial least squares (PLS) multivariate calibrations were used to predict the total protein. Soft independent modeling of class analogy (SIMCA) was also used for full-spectrum classification, resulting in almost 100% classification accuracy, regardless of the significance level adopted for the F-test. Using this strategy, it was feasible to classify powder milk rapidly and nondestructively without the need for various analytical determinations. Concerning the multivariate calibration models, the results show that PCR, PLS and MLR-SPA models are good for predicting total protein in powder milk; the respective root mean square errors of prediction (RMSEP) were 0.28 (PCR), 0.25 (PLS), 0.11 wt% (MLR-SPA) with an average sample protein content of 8.1 wt%. The results obtained in this investigation suggest that the proposed methodology is a promising alternative for the determination of total protein in milk powder.

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近红外反射光谱法对奶粉中总蛋白的分类测定及变量选择的逐次投影算法
本文提出了一种近红外反射光谱法和变量选择法对奶粉中总蛋白进行分类和测定的方法。从巴西三个城市收购了两个品牌的奶粉(Natal-RN, Salvador-BA和里约热内卢de Janeiro-RJ)。采用凯氏定氮法和近红外光谱法测定38份样品的蛋白质含量。主成分回归(PCR)和偏最小二乘(PLS)多元校准预测总蛋白。在全谱分类中也使用了类类比的软独立建模(SIMCA),无论采用f检验的显著性水平如何,分类准确率几乎为100%。采用该方法可以快速、无损地对奶粉进行分类,而不需要进行各种分析测定。在多元校正模型方面,PCR、PLS和MLR-SPA模型均能较好地预测奶粉中总蛋白的含量;预测的均方根误差(RMSEP)分别为0.28 (PCR)、0.25 (PLS)、0.11 wt% (MLR-SPA),平均样品蛋白质含量为8.1 wt%。本研究结果表明,该方法是测定奶粉中总蛋白的一种有前途的方法。
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来源期刊
Vibrational Spectroscopy
Vibrational Spectroscopy 化学-分析化学
CiteScore
4.70
自引率
4.00%
发文量
103
审稿时长
52 days
期刊介绍: Vibrational Spectroscopy provides a vehicle for the publication of original research that focuses on vibrational spectroscopy. This covers infrared, near-infrared and Raman spectroscopies and publishes papers dealing with developments in applications, theory, techniques and instrumentation. The topics covered by the journal include: Sampling techniques, Vibrational spectroscopy coupled with separation techniques, Instrumentation (Fourier transform, conventional and laser based), Data manipulation, Spectra-structure correlation and group frequencies. The application areas covered include: Analytical chemistry, Bio-organic and bio-inorganic chemistry, Organic chemistry, Inorganic chemistry, Catalysis, Environmental science, Industrial chemistry, Materials science, Physical chemistry, Polymer science, Process control, Specialized problem solving.
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