基于ATR-FTIR光谱的γ-PGA发酵批次分类研究

doi:10.12068/j.issn.1005-3026.2022.10.002

东北大学学报（自然科学版） ›› 2022, Vol. 43 ›› Issue (10): 1376-1382.DOI: 10.12068/j.issn.1005-3026.2022.10.002

基于ATR-FTIR光谱的γ-PGA发酵批次分类研究

单鹏，吴缀，何年，刘隆兴

(东北大学秦皇岛分校控制工程学院，河北秦皇岛066004)

修回日期:2021-11-29 接受日期:2021-11-29 发布日期:2022-11-07
通讯作者: 单鹏
作者简介:单鹏(1985-)，男，河南平舆人，东北大学副教授.
基金资助:
中央高校基本科研业务费专项资金资助项目(N2023021).

Research on Batch Classification of γ-Polyglutamic-Acid Fermentation Based on ATR-FTIR Spectroscopy

SHAN Peng， WU Zhui， HE Nian， LIU Long-xing

School of Control Engineering， Northeastern University at Qinhuangdao， Qinhuangdao 066004， China.

Revised:2021-11-29 Accepted:2021-11-29 Published:2022-11-07
Contact: WU Zhui
About author:-
Supported by:
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摘要/Abstract

摘要： 利用衰减全反射傅里叶变换红外光谱(ATR-FTIR)技术对聚谷氨酸(γ-PGA)发酵批次进行快速识别检测.根据5个批次的γ-PGA发酵液光谱建立了5个偏最小二乘判别分析(PLSDA)分类模型来鉴别每一批次与其他批次，在某些局部评价指标(准确率)上取得了不错的结果.为了提高模型在全体指标(如准确率、精度、灵敏度等)上的整体效果和模型的可解释性，采用子窗口置换分析(SPA)、竞争自适应重加权采样(CARS)以及随机青蛙(RF)三种波数选择算法结合PLSDA提取特征波数，建立PLSDA判别模型.实验结果表明，经波数选择(除CARS)后，PLSDA在各个批次上的各项性能指标均得到提升，而且模型复杂度降低，可解释性增强；ATR-FTIR技术结合SPA-PLSDA或RF-PLSDA方法可实现对γ-PGA发酵批次的快速识别.

关键词: 衰减全反射；聚谷氨酸；偏最小二乘判别分析；竞争自适应；波数选择

Abstract: Attenuated total reflection Fourier transform infrared spectroscopy(ATR-FTIR)technology is utilized to quickly identify and detect different fermentation batches for γ-polyglutamic-acid(γ-PGA). Based on partial least squares discriminant analysis(PLSDA)， five classification models were established to distinguish each batch from other batches， which performed well on several individual evaluation indicators(e.g.， accuracy). In order to improve the model performance on all the indicators(e.g.， accuracy， precision， sensitivity， etc.)and the model interpretability， three wavenumber selection methods including subwindow permutation analysis(SPA)， competitive adaptive reweighted sampling(CARS)and random frog(RF)were combined with PLSDA to extract key wavenumbers and then established the corresponding classification models. Experimental results show that all the performance indicators of PLSDA combined with wavenumber selection(except CARS-PLSDA)are improved. Additionally， both the model complexity and interpretability are improved. Therefore， ATR-FTIR technology combined with SPA-PLSDA or RF-PLSDA method can realize rapid identification of different γ-PGA fermentation batches.

Key words: attenuated total reflection; γ-polyglutamic-acid (γ-PGA); partial least squares discriminant analysis(PLSDA); competitive adaptive; wavenumber selection

中图分类号:

O433.4

单鹏，吴缀，何年，刘隆兴. 基于ATR-FTIR光谱的γ-PGA发酵批次分类研究[J]. 东北大学学报（自然科学版）, 2022, 43(10): 1376-1382.

SHAN Peng， WU Zhui， HE Nian， LIU Long-xing. Research on Batch Classification of γ-Polyglutamic-Acid Fermentation Based on ATR-FTIR Spectroscopy[J]. Journal of Northeastern University(Natural Science), 2022, 43(10): 1376-1382.

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基于ATR-FTIR光谱的γ-PGA发酵批次分类研究

Research on Batch Classification of γ-Polyglutamic-Acid Fermentation Based on ATR-FTIR Spectroscopy

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