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一种基于有序预测变量选择和逐次投影算法的新型变量选择方法,用于利用傅里叶变换近红外光谱和化学计量学预测新鲜天麻中天麻素含量。

A Novel Variable Selection Method Based on Ordered Predictors Selection and Successive Projections Algorithm for Predicting Gastrodin Content in Fresh Using Fourier Transform Near-Infrared Spectroscopy and Chemometrics.

作者信息

Wang Zhenjie, Zuo Changzhou, Chen Min, Song Jin, Tu Kang, Lan Weijie, Li Chunyang, Pan Leiqing

机构信息

College of Food Science and Technology, Nanjing Agricultural University, No. 1 Weigang Road, Nanjing 210095, China.

College of Artificial Intelligence, Nanjing Agricultural University, No. 40 Dianjiangtai Road, Nanjing 210095, China.

出版信息

Foods. 2023 Dec 11;12(24):4435. doi: 10.3390/foods12244435.

Abstract

Gastrodin is one of the most important biologically active components of , which has many health benefits as a dietary and health food supplement. However, gastrodin measurement traditionally relies on laboratory and sophisticated instruments. This research was aimed at developing a rapid and non-destructive method based on Fourier transform near infrared (FT-NIR) to predict gastrodin content in fresh . Auto-ordered predictors selection (autoOPS) and successive projections algorithm (SPA) were applied to select the most informative variables related to gastrodin content. Based on that, partial least squares regression (PLSR) and multiple linear regression (MLR) models were compared. The autoOPS-SPA-MLR model showed the best prediction performances, with the determination coefficient of prediction (Rp2), ratio performance deviation (RPD) and range error ratio (RER) values of 0.9712, 5.83 and 27.65, respectively. Consequently, these results indicated that FT-NIRS technique combined with chemometrics could be an efficient tool to rapidly quantify gastrodin in and thus facilitate quality control of .

摘要

天麻素是[具体事物]最重要的生物活性成分之一,作为膳食和健康食品补充剂具有诸多健康益处。然而,传统上天麻素的测定依赖于实验室和精密仪器。本研究旨在开发一种基于傅里叶变换近红外光谱(FT-NIR)的快速无损方法,以预测新鲜[具体事物]中天麻素的含量。采用自动有序预测变量选择(autoOPS)和连续投影算法(SPA)来选择与天麻素含量相关的最具信息性的变量。在此基础上,比较了偏最小二乘回归(PLSR)和多元线性回归(MLR)模型。autoOPS-SPA-MLR模型显示出最佳的预测性能,预测决定系数(Rp2)、性能比偏差(RPD)和范围误差比(RER)值分别为0.9712、5.83和27.65。因此,这些结果表明,傅里叶变换近红外光谱技术结合化学计量学可以成为快速定量[具体事物]中天麻素的有效工具,从而有助于[具体事物]的质量控制。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c482/10743185/821dbac1142a/foods-12-04435-g001.jpg

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