Application of NIR and MIR spectroscopy for rapid determination of antioxidant activity of Radix Scutellariae from different geographical regions
Application of NIR and MIR spectroscopy for rapid determination of antioxidant activity of Radix Scutellariae from different geographical regions
复制标题
应用近红外和中红外光谱快速测定不同地理区域黄芩的抗氧化活性
DOI：
10.1002/pca.2602
复制
发表时间：
2016-01-01
影响因子：
3.3
通讯作者：
Yang, Bin
中科院分区：
文献类型：
--
作者：
Li, Hua;He, Jingxia;Yang, Bin
简介 - 中药的有益健康作用通常归因于其强大的抗氧化活性，通常是在体外建立的。然而，这些测定抗氧化活性的湿化学方法耗时、费力且昂贵。 目的 - 本研究旨在利用近红外 (NIR) 和中红外 (MIR) 光谱法快速测定黄芩的抗氧化活性。 材料和方法 - 使用 2,2-二苯基-1-三硝基苯肼 (DPPH) 和氧自由基吸收能力 (ORAC) 测定法评估抗氧化能力。采用氯化铝比色法测定黄芩总黄酮含量（TFC）。然后使用近红外和中红外光谱扫描同一样品。使用偏最小二乘（PLS）回归进行化学计量学分析，以建立预测黄芩抗氧化活性的模型。结果 - 使用基于 NIR 数据的 PLS 模型获得了更好的预测性能。 DPPH 验证集的决定系数 (R-2) 和残差预测偏差 (RPD) 分别为 0.9298 和 2.84，TFC 分别为 0.9436 和 2.66。 MIR-PLS 算法的可靠性稍低（DPPH 和 TFC 的 R-2 = 0.9090 和 0.9374，RPD = 2.01 和 2.42）。两种方法获得的 ORAC 结果非常相似。结论 - 所开发的光谱方法可以成功应用于黄芩样品抗氧化能力的高通量筛选。它也可以成为费力的化学程序的可行且有利的替代方案。版权所有 (C) 2015 约翰·威利父子有限公司
Introduction - The beneficial health effects of traditional Chinese medicines are often attributed to their potent antioxidant activities, usually established in vitro. However, these wet chemical methods for determining antioxidant activities are time-consuming, laborious, and expensive.Objectives - This study was conducted to establish a rapid determination of antioxidant activity of Radix Scutellariae using near-infrared (NIR) and mid-infrared (MIR) spectroscopy.Material and methods - Antioxidant capabilities were evaluated using 2,2-diphenyl-1-picrylhydrazyl hydrazyl (DPPH) and oxygen radical absorbance capacity (ORAC) assays. The total flavonoid contents (TFCs) of Radix Scutellariae were measured by the aluminium chloride colorimetric method. The same sample was then scanned using NIR and MIR spectroscopy. Chemometrics analysis using partial least-squares (PLS) regression was performed to establish the models for predicting the antioxidant activities of Radix Scutellariae.Results - A better predictive performance was achieved using PLS models based on NIR data. The determination coefficient (R-2) and the residual predictive deviation (RPD) for the validation set were 0.9298 and 2.84 for DPPH, and 0.9436 and 2.66 for TFCs, respectively. MIR-PLS algorithms gave a slightly lower reliability (R-2 = 0.9090 and 0.9374, RPD = 2.01 and 2.42, for DPPH and TFC, respectively). Very comparable results for ORAC were obtained with the two methods.Conclusion - The developed spectroscopic method can be successfully applied in high-throughput screening of the antioxidant capability of Radix Scutellariae samples. It can also be a viable and advantageous alternative to laborious chemical procedures. Copyright (C) 2015 John Wiley & Sons, Ltd.