手持式近红外光谱仪无损测定水飞蓟提取物中的水飞蓟素

Hui Yan, M. Liang, Ming-jian Jianga, H. Siesler
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引用次数: 0

摘要

作者简介:本研究的主要目的是为水飞蓟提取物中水飞蓟素的检测提供一种可行的方法。本文首次采用近红外光谱法和手持近红外光谱仪对水飞蓟提取物进行了检测。共采集样本80份。采用高效液相色谱法测定水飞蓟素的含量。然后选取56个样本建立校正模型,其余24个样本作为测试集。对手持式MicroNIR 1700光谱仪采集的漫反射光谱进行标准正态变量预处理,建立偏最小二乘回归模型。结果表明,最佳因子数为4个。校正、交叉验证(CV)和检验集的斜率均大于0.98,R2分别为0.9874、0.9839和0.9888,校正均方根误差、CV均方根误差和预测均方根误差分别为1.06%、1.25%和0.98%,残差预测偏差为7.56,表明校正模型完善,具有较高的精度预测能力。本研究的总体结果表明,手持式近红外光谱法作为一种无损现场定量测定水飞蓟提取物中水飞蓟素含量的方法是可行的。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Non-destructive determination of silymarin in Silybum marianum extracts with a handheld near infrared spectrometer
Author Summary: The main objective of this study is to provide a potential method of detecting the silymarin in Silybum marianum extracts. Near infrared (NIR) spectroscopy and a handheld NIR spectrometer was used for the first time to detect the Silybum marianum extracts. A total of 80 samples were collected. The content of silymarin was determined in all samples by high-performance liquid chromatography. Then 56 samples were selected for the development of a calibration model, and the other 24 samples were used as test set. The diffuse reflection spectra acquired by the handheld MicroNIR 1700 spectrometer were pretreated by standard normal variate, and then a partial least squares regression model was developed. The results showed that the optimum number of factors was four. For calibration, cross validation (CV) and test set, the slopes were all larger than 0.98, the R2 values were 0.9874, 0.9839 and 0.9888, respectively, the root mean square error of calibration, root mean square error of CV and root mean square error of prediction were 1.06 %, 1.25 % and 0.98 %, respectively, and the residual predictive deviation was 7.56, which indicated that the calibration model was perfect and has high precision predictive ability. The overall results of this study revealed the feasibility for use of handheld NIR spectroscopy as a non-destructive method for the quantitative on-site determination of the silymarin content in Silybum marianum extracts.
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