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一种新型波长选择方法VCPA-PLS的开发,用于通过在线漫反射近红外光谱对番茄中的可溶性固形物进行稳健定量分析。

Development of a novel wavelength selection method VCPA-PLS for robust quantification of soluble solids in tomato by on-line diffuse reflectance NIR.

作者信息

Li Huanhuan, Zhu Jiaji, Jiao Tianhui, Wang Bing, Wei Wenya, Ali Shujat, Ouyang Qin, Zuo Min, Chen Quansheng

机构信息

School of Food and Biological Engineering, Jiangsu University, Zhenjiang 212013, PR China; School of the Environment and Safety Engineering, Jiangsu University, Zhenjiang 212013, PR China.

School of Food and Biological Engineering, Jiangsu University, Zhenjiang 212013, PR China.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2020 Dec 15;243:118765. doi: 10.1016/j.saa.2020.118765. Epub 2020 Aug 1.

Abstract

This work was attempted to evaluate the feasibility of a constructed on-line NIR platform coupled with efficient algorithms for rapid and robust quantification of quality parameter in cherry tomato. Specifically, a system was developed based on shortwave NIR spectroscopy for on-line quality inspection of cherry tomatoes. The spectra were recorded in diffuse reflectance mode from 900 to 1700 nm, and the conveyor belt speed was fixed to five samples per second. Three novel methods, namely variable combination population analysis (VCPA), uninformative variable elimination (UVE) and competitive adaptive reweighed sampling algorithm (CARS) were coupled with partial least square (PLS) for selecting optimal dataset, and modeling. The obtained results showed that under the optimal tuning parameters (N = 100, k = 500, ω = 14, σ = 10%), a total of 512 original variables, only 9 variables (1.75%) were extracted by VCPA. Subsequently, VCPA-PLS yielded outstanding performance in predicting soluble solid content in cherry tomatoes, with a higher correlation coefficient (R = 0.9053), and lower root mean square errors (RMSEP = 0.382) in prediction set. This methodology demonstrated the versatile potential of the proposed installation coupled with VCPA methods for on-line detection of total soluble solids in cherry tomatoes.

摘要

本研究旨在评估构建的在线近红外(NIR)平台结合高效算法对樱桃番茄品质参数进行快速、可靠定量分析的可行性。具体而言,开发了一种基于短波近红外光谱的樱桃番茄在线品质检测系统。光谱在900至1700nm的漫反射模式下记录,传送带速度固定为每秒五个样品。将三种新方法,即变量组合总体分析(VCPA)、无信息变量消除(UVE)和竞争性自适应重加权采样算法(CARS)与偏最小二乘法(PLS)相结合,用于选择最优数据集并进行建模。所得结果表明,在最优调谐参数(N = 100,k = 500,ω = 14,σ = 10%)下,共有512个原始变量,VCPA仅提取了9个变量(1.75%)。随后,VCPA-PLS在预测樱桃番茄可溶性固形物含量方面表现出色,预测集中相关系数较高(R = 0.9053),均方根误差较低(RMSEP = 0.382)。该方法证明了所提出的装置结合VCPA方法在在线检测樱桃番茄总可溶性固形物方面的多种潜力。

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