School of Traditional Chinese Medicine, Guangdong Pharmaceutical University, Guangzhou, 510006, Guangdong, China; Key Laboratory of Digital Quality Evaluation of Chinese Materia Medica, State Administration of Traditional Chinese Medicine (TCM), Guangzhou, 510006, Guangdong, China; Engineering Technology Research Center for Chinese Materia Medica Quality of Universities in Guangdong Province, Guangzhou, 510006, Guangdong, China.
College of Pharmacy, Jinan University, Guangzhou, 510632, China.
J Pharm Biomed Anal. 2021 Jun 5;200:114074. doi: 10.1016/j.jpba.2021.114074. Epub 2021 Apr 16.
It's far from enough to describe the blood circulation promoting effect of Curcumae Rhizoma (CR), which is widely grown as a functional vegetable or spice in south and southeast Asian countries, and processed Curcumae Rhizoma (PCR), only by disclosing the content of a couple of relative compounds. In this study, the thrombin inhibitory effect as well as 2,2'-azino-bis (3-ethylbenz-thiazoline-6-sulfonic acid) (ABTS) and 2,2-diphenyl-picrylhydrazyl (DPPH) free radical scavenging ability of CR/PCR extracts was investigated, and TANGO Fourier transform near-infrared (FT-NIR, Bruker, Germany)-a benchtop instrument allowing the full range NIR wavelength scanning-and handheld-NIR spectrometer (Micro-NIR, NIR-S-G1, InnoSpectra corporation, China) that can be connected to smart phones were used to realize the rapid detection of pharmacodynamic indicators. model was evaluated based on the determination coefficient (R2), root mean square error (RMSE), standard error of test set (SEP) and ratio of performance to deviation (RPD). The results of pharmacodynamics experiment confirmed for the first time that CR has significant inhibitory effect on thrombin, and the modeling results revealed that Micro-NIR had a good prediction on the antioxidant capacity (ABTS and DPPH free radical clearance) with RPD greater than 3, but showed a general predictive performance on thrombin inhibition ability (RPD = 2.434). In contrast, FT-NIR provided a good prediction for all the three indicators, with R greater than 0.9 and RPD greater than 4.5. Further insights into the capability of the two devices were obtained by analyzing the wavebands selection work. In the full wavelength range, wavebands related to thrombin inhibition were mainly distributed in the combination area which is out of the reach of handheld Micro-NIR, thus resulting in a decrease in the prediction ability. Therefore, compared to the benchtop-NIR, the detection range of the handheld-NIR is the main factor limiting its capability Based on an overall assessment, handheld NIR spectrometer, by greatly expanding the application scenario of NIR technology, is considered as a useful device with a satisfying predictive ability through model construction.
姜黄（Curcumae Rhizoma，CR）作为一种在东南亚国家广泛种植的功能性蔬菜或香料，其促进血液循环的作用远不止于揭示几种相关化合物的含量。本研究考察了姜黄/姜黄提取物的抗凝血酶作用以及 2,2'-联氮-双（3-乙基苯并噻唑啉-6-磺酸）（ABTS）和 2,2-二苯基-1-苦肼基自由基清除能力，并利用 TANGO 傅里叶变换近红外（FT-NIR，德国布鲁克公司）-一种可实现全近红外波长扫描的台式仪器-以及可与智能手机连接的手持式近红外光谱仪（Micro-NIR，中国 Innospectra 公司的 NIR-S-G1）实现了对药效指标的快速检测。基于决定系数（R2）、均方根误差（RMSE）、测试集标准差（SEP）和偏差比（RPD）评估了模型。药效学实验结果首次证实姜黄对凝血酶有显著抑制作用，建模结果表明，Micro-NIR 对 ABTS 和 DPPH 自由基清除能力具有良好的预测能力（RPD 大于 3），但对凝血酶抑制能力的预测性能一般（RPD=2.434）。相比之下，FT-NIR 对所有三个指标均提供了良好的预测，R 值大于 0.9，RPD 值大于 4.5。通过分析波段选择工作，进一步深入了解了两种设备的能力。在全波长范围内，与凝血酶抑制相关的波段主要分布在手持式 Micro-NIR 无法到达的组合区域，因此降低了预测能力。因此，与台式近红外相比，手持式近红外的检测范围是限制其性能的主要因素。基于综合评估，手持式近红外光谱仪通过极大地扩展了近红外技术的应用场景，被认为是一种有用的设备，通过构建模型具有令人满意的预测能力。
