Discrimination of adulterated milk using temperature-perturbed two-dimensional infrared correlation spectroscopy and multivariate analysis

线性判别分析 红外光谱学 相关性 分析化学(期刊) 偏最小二乘回归 数学 多元统计 化学 模式识别(心理学) 统计 色谱法 人工智能 计算机科学 几何学 有机化学
作者
Mingyue Huang,Renjie Yang,Zeyuan Zheng,Haiyun Wu,Yanrong Yang
出处
期刊:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy [Elsevier BV]
卷期号:278: 121342-121342 被引量:10
标识
DOI:10.1016/j.saa.2022.121342
摘要

• The discrimination method for adulterated milk was proposed using temperature-perturbed 2D IR correlation spectroscopy. • The discrimination accuracy of two brands of pure and adulterated milk was 100% by temperature-perturbed 2D IR correlation spectroscopy. • The discrimination accuracy of two brands of pure and adulterated milk was 77.8 % by conventional 3D stacked map. • Temperature-perturbed 2D correlation spectra showed better performance than conventional 3D stacked map. The discrimination method for adulterated milk is proposed based on temperature-perturbed two-dimensional (2D) infrared correlation spectroscopy and N-way partial least squares discriminant analysis (NPLS-DA). Two brands of pure and adulterated milk samples were prepared. The mid-infrared spectra of all samples were obtained from 30 ℃ to 55 ℃ with an interval of 5 ℃. Under the perturbation of temperature, synchronous 2D correlation spectra were calculated to build discrimination models of pure milk and adulterated milk. In comparison, the NPLS-DA models were built based on three-dimensional (3D) stacked map (sample × temperature × wavenumber variable). For the NPLS-DA models of two brands of milk, the discrimination accuracy of unknown samples in the prediction set is 100% using temperature-perturbed 2D infrared correlation spectra, versus 77.8% using conventional 3D stacked map. The proposed method can be used as an alternative way for classifying pure and adulterated milk.
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