近红外光谱法高通量检测罗布麻纤维胶质含量
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摘要
研究了近红外光谱法高通量测定罗布麻纤维中的胶质含量。采用近红外光谱漫反射模式采集罗布麻纤维的近红外光谱,结合常规化学法所测参考值,运用偏最小二乘法(PLS)建立罗布麻纤维胶质含量的定量模型,并用未知样品对模型进行验证。结果表明,所建定量模型校正集相关系数(Rc)和校正集均方根误差(RMSEC)分别为0.994 0和1.676 1;经外部验证的验证集相关系数(Rp)和验证集均方根误差(RMSEP)分别为0.956 1和4.843 7。该方法操作简单,快速,可用于罗布麻纤维胶质含量的高通量检测。
The application of near-infrared spectroscopy(NIRS) in high-throughput determination of gum content in apocynum venetum is studied. Through collecting the near-infrared spectra of apocynum venetum by near-infrared spectroscopy diffuse reflectance spectroscopy, combined with the reference values measured by conventional chemical methods, the quantitative model of gum is established by partial least squares(PLS) method. Finally, the quantitative model is verified by unknown samples. The results show that the correlation coefficient(Rc) and root mean square error(RMSEC) of the calibration set of the quantitative model are 0.994 0 and 1.676 1 respectively; the correlation coefficient(Rp) and root mean square error(RMSEP) of the validation set are 0.956 1 and 4.843 7 respectively. The method is simple and fast, and it can be applied to the high-throughput determination of gum content in apocynum venetum.
The application of near-infrared spectroscopy(NIRS) in high-throughput determination of gum content in apocynum venetum is studied. Through collecting the near-infrared spectra of apocynum venetum by near-infrared spectroscopy diffuse reflectance spectroscopy, combined with the reference values measured by conventional chemical methods, the quantitative model of gum is established by partial least squares(PLS) method. Finally, the quantitative model is verified by unknown samples. The results show that the correlation coefficient(Rc) and root mean square error(RMSEC) of the calibration set of the quantitative model are 0.994 0 and 1.676 1 respectively; the correlation coefficient(Rp) and root mean square error(RMSEP) of the validation set are 0.956 1 and 4.843 7 respectively. The method is simple and fast, and it can be applied to the high-throughput determination of gum content in apocynum venetum.
引文
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[11] ZHU Y, CHEN X, WANG S, et al. Simultaneous measurement of contents of liquirtin and glycyrrhizic acid in liquorice based on near infrared spectroscopy[J]. Spectrochimica Acta Part A Molecular&Biomolecular Spectroscopy, 2018(196):209.
[2]王莉,巩继贤,李政,等.罗布麻纤维的抑菌性及远红外性能[J].上海毛麻科技,2011(3):2-5.
[3]王莉,孟繁杰,张健飞,等.罗布麻织物远红外性能[J].上海毛麻科技,2011(4):5-7.
[4] WANG P, ZHANG H, YANG H, et al. Rapid determination of major bioactive isoflavonoid compounds during the extraction process of kudzu(Pueraria lobata)by near-infrared transmission spectroscopy[J]. Spectrochimica Acta Part A:Molecular and Biomolecular Spectroscopy, 2015(137):1403-1408.
[5] KIRCHLER C G, PEZZEI C K, BEC K B, et al. Critical evaluation of spectral information of benchtop vs. portable near-infrared spectrometers:quantum chemistry and two-dimensional correlation spectroscopy for a better understanding of PLS regression models of the rosmarinic acid content in Rosmarini folium[J]. The Analyst, 2017, 142(3):455-464.
[6] KIRCHLER C G, PEZZEI C K, BEC K B, et al. Critical Evaluation of NIR and ATR-IR Spectroscopic Quantifications of Rosmarinic Acid in Rosmarini folium Supported by Quantum Chemical Calculations[J]. Planta Med, 2017, 83(12-13):1076-1084.
[7]王彩虹,刘化勇,吴雄英,等.基于SVM的棉麻织物近红外光谱快速无损鉴别[J].印染,2015,41(18):39-43.
[8] GOODARZI M, SHARMA S, RAMON H, et al. Multivariate calibration of NIR spectroscopic sensors for continuous glucose monitoring[J]. Trends in Analytical Chemistry, 2015(67):147-158.
[9] REBOUCAS J P, ROHWEDDER J J R, PASQUINI C. Near infrared emission spectroscopy for rapid compositional analysis of Portland cements[J]. Analytica Chimica Acta, 2018(1024):136-144.
[10] SAMADI W S, MUNAWAR A A. Fast and simultaneous prediction of animal feed nutritive values using near infrared reflectance spectroscopy[J]. IOP Conference Series:Earth and Environmental Science, 2018(122):12112.
[11] ZHU Y, CHEN X, WANG S, et al. Simultaneous measurement of contents of liquirtin and glycyrrhizic acid in liquorice based on near infrared spectroscopy[J]. Spectrochimica Acta Part A Molecular&Biomolecular Spectroscopy, 2018(196):209.