基于随机森林的原位质谱法快速鉴别铁棍山药真伪
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(1. 佛山大学 ,广东 佛山 528000; 2. 佛山职业技术学院 ,广东 佛山 528137; 3. 广东一方制药有限公司 ,广东 佛山 528244; 4. 有研(广东)新材料技术研究院 ,广东 佛山 528000)

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欧阳永中(1980—),男,佛山大学教授,博士。E-mail:ouyang7492@163.com

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中药复杂体系原位质谱分析方法研究(项目批号2021ZDZX2060);佛山市南海区重点领域科技攻关专项


Rapid identification of the authenticity of iron rod yam by in-situ mass spectrometry based on random forest algorithm
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(1. School of Foshan University , Foshan , Guangdong 528000 , China; 2. Foshan Polytechnic , Foshan , Guangdong 528137 , China; 3. Pharmacy Department , Guangdong Yifang Pharmaceutical Co ., Ltd., Foshan , Guangdong 528244 , China; 4. GRINM (Guangdong ) Institute for Advanced Materials and Technology , Foshan , Guangdong 528000 , China)

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    摘要:

    [目的]建立一种快速无损的铁棍山药真伪鉴别方法。[方法]在常温常压环境下,运用大气压化学电离质谱技术对不同产地的铁棍山药 (TG)和非铁棍山药 (FTG )化学成分进行检测,每种铁棍山药样品和非铁棍山药样品各采集200组数据,共获得 3 600个质谱数据点,利用主成分分析 (PCA)和随机森林 (RF)算法对获得的一级质谱数据进行模式识别分析,建立铁棍山药与非铁棍山药真伪鉴别模型。[结果]通过 HS-APCI -MS获得的铁棍山药样品与非铁棍山药样品的一级质谱图差异明显,根据主成分累计方差贡献图,前7个主成分的累计方差贡献率为 85.63%(≥85%);当决策树数量为 25时,训练集、检测集准确率均达到 100%,所建立的铁棍山药原位质谱分析结合 RF算法对铁棍山药的鉴别效果显著,RF的分类效果优于 PCA。[结论]应用原位质谱分析技术结合 RF算法可以快速无损鉴别铁棍山药真伪。

    Abstract:

    [Objective] To establish a fast and nondestructive analysis method for identifying iron rod yam.[Methods] Atmospheric pressure chemical ionization mass spectrometry (APCI -MS) was employed to detect the chemical constituents of iron rod yam (TG) and non -iron rod yam (FTG ) from different origins under ambient temperature and pressure,With 200 sets of data collected from each type of TG and FTG,and a total of 3 600 mass spectrometry data points were obtained.Subsequently,the initial level of the mass spectrometry data obtained was analyzed using Principal Component Analysis (PCA ) and the random forest (RF) algorithm.Pattern recognition analysis established a model to differentiate between TG and FTG based on their chemical compositions.[Results]] The difference between the first -level mass spectra obtained by HS -APCI -MS was obvious between TG samples and FTG samples.The cumulative variance contribution plot of the principal components showed that the first seven principal components accounted for 85.63% (≥85%) of the variance.The accuracy of the training set and detection set reached 100% when the number of decision trees was 25.HS-APCI -MS combined with RF algorithm had a significant identification effect on TG,and the classification effect of RF was superior to that of PCA.[Conclusion] Atmospheric pressure chemical ionization mass spectrometry,combined with the RF algorithm,can rapidly and non -destructively identify TG and FTG,providing a new technical method for authenticating TG.

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钟恒艳,陈 春,欧阳永中,等.基于随机森林的原位质谱法快速鉴别铁棍山药真伪[J].食品与机械,2024,40(11):47-53.
ZHONG Hengyan, CHEN Chun, OUYANG Yongzhong, et al. Rapid identification of the authenticity of iron rod yam by in-situ mass spectrometry based on random forest algorithm[J]. Food & Machinery,2024,40(11):47-53.

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  • 收稿日期:2024-02-03
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  • 在线发布日期: 2025-02-18
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