Rapid Prediction of Total Flavonoids in Pteridium Aquilinum by Quantitative Analysis Model Based on Near Infrared Spectroscopy
摘 要
采用近红外光谱法结合偏最小二乘法构建蕨菜中总黄酮含量的快速无损测定方法。取蕨菜样品140份,采用傅里叶变换近红外光谱仪采集4 000~11 500 cm-1波段内近红外光谱,以一阶导数预处理原始光谱,设置主因子数为10,在6 100~7 500 cm-1和5 400~6 000 cm-1波段内建模。结果表明:校正集定量分析模型的校正均方根误差(RMSEC)为0.078,交叉验证决定系数(R2)为0.991 9;验证集定量分析模型的预测均方根误差(RMSEP)为0.125,R2为0.984 1,说明所建模型性能较优。分别以定量分析模型和紫外-可见(UV-Vis)分光光度法分析完全外部验证集样品,预测回收率(预测值和测定值比值的百分数)接近100%,说明所建模型的预测准确度较高,可用于蕨菜中总黄酮的快速、准确测定。
Abstract
A rapid and non-destructive method for the determination of total flavonoids in Pteridium aquilinum was proposed by near infrared spectroscopy combined with partial least square method. The 140 samples of Pteridium aquilinum were taken, and their near infrared spectra were collected in the waveband of 4 000-11 500 cm-1 by Fourier transform near infrared spectrometer. The original spectra obtained were pretreated by the first-order derivative, and the model was established in the waveband of 6 100-7 500 cm-1 and 5 400-6 000 cm-1 with principal factor number of 10. It was shown that RMSEC of the quantitative analysis model established with calibration set was 0.078, and R2 was 0.991 9. RMSEP of the quantitative analysis model established with varification set was 0.125, and R2 was 0.984 1, indicating that the performance of the established model was superior. The completely external validation set samples were analyzed by the quantitative analysis model and UV-Vis spectrophotometry, giving predicted recoveries (percentage ratios of predicted values to determined values) closed to 100%, indicating that the established model had high prediction accuracy, and could be used for the rapid and accurate determination of total flavonoids in Pteridium aquilinum.
中图分类号 O657.33 DOI 10.11973/lhjy-hx202311005
所属栏目 工作简报
基金项目 国家自然科学基金(81573536);皖西学院校级科研重点项目(WXZR202029、WXZR202034);皖西学院高层次人才启动项目(00701092193、WGKQ2021030);安徽省中药质量评价与品质提升科研创新团队(2022AH010090)
收稿日期 2022/4/25
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联系人作者陈乃东(2004cnd@163.com)
备注刘孝全,硕士研究生,研究方向主要为中药分析
引用该论文: LIU Xiaoquan,HAO Jingwen,CHEN Naidong,ZHANG Li,QIN Chaofeng. Rapid Prediction of Total Flavonoids in Pteridium Aquilinum by Quantitative Analysis Model Based on Near Infrared Spectroscopy[J]. Physical Testing and Chemical Analysis part B:Chemical Analysis, 2023, 59(11): 1271~1275
刘孝全,郝经文,陈乃东,张莉,秦朝凤. 基于近红外光谱法的定量分析模型快速预测蕨菜中总黄酮的含量[J]. 理化检验-化学分册, 2023, 59(11): 1271~1275
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参考文献
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【3】陈乃东,陈乃富,陈存武,等.蕨菜黄酮苷元的组成及含量测定研究[J].生物学杂志, 2013,30(5):33-36.
【4】郝经文,陈林霖,司华阳,等.蕨菜多糖超声波辅助提取及其药理活性初步研究[J].天然产物研究与开发, 2019,31(6):957-963.
【5】张晓娟,胡选萍,周建军,等.蕨菜化学成分及开发应用研究进展[J].食品研究与开发, 2014,35(3):119-121.
【6】陈乃富,张莉,陈科,等.大孔吸附树脂法纯化蕨菜黄酮的初步研究[J].食品工业科技, 2007,28(8):82-85.
【7】黄冠明,郭香,祁剑飞,等.葡萄牙牡蛎(Crassostrea angulata)六种化学成分近红外定量模型的建立[J].光谱学与光谱分析, 2020,40(5):1509-1513.
【8】陈乃东.霍山石斛、铁皮石斛与河南石斛花茶多级红外光谱快速鉴定研究[J].光谱学与光谱分析, 2020,40(8):2598-2604.
【9】唐云峰,柴琴琴,林双杰,等.可见/近红外光谱的葡萄籽油掺伪检测系统[J].光谱学与光谱分析, 2020,40(1):202-208.
【10】李嘉仪,余梅,郑郁,等.基于近红外光谱技术的不同产地茯苓块无损鉴别[J].分析试验室, 2021,40(12):1381-1386.
【11】HAO J W, CHEN N D, CHEN C W, et al. Rapid quantification of polysaccharide and the main onosaccharides in Dendrobium huoshanense by near-infrared attenuated total reflectance spectroscopy[J]. Journal of Pharmaceutical and Biomedical Analysis, 2018,151:331-338.
【12】DE ARA AU'G JO T K L, NÓBREGA R O, DE SOUSA FERNANDES D D, et al. Non-destructive authentication of gourmet ground roasted coffees using NIR spectroscopy and digital images[J]. Food Chemistry, 2021,364:130452.
【13】WORKMAN J J, WEYER L. Practical guide to interpretive near-infrared spectroscopy[M]. Florida:CRC Press, 2007:35.
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