Qiao Ying, Kang Yatong, Long Tingze, Yi Han, Wang Feng, Chen Chao
School of Traditional Chinese Medicine, Guangdong Pharmaceutical University, Guangzhou 510006, PR China.
School of Pharmacy, Guangdong Pharmaceutical University, Guangzhou 510006, PR China.
J Pharm Biomed Anal. 2025 Aug 1;260:116822. doi: 10.1016/j.jpba.2025.116822. Epub 2025 Mar 15.
Moutan Cortex (MC), recognized as a traditional Chinese medicinal herb, possesses significant therapeutic properties. The existing quality assessment method only measures the content of one component in MC, which is obviously not comprehensive enough. Besides, the determination process is time-consuming and laborious.Thus, this article presents a novel approach for the rapid, precise, and efficient quality assessment of MC based on near-infrared spectroscopy (NIR) technology in combination with the bionic swarm intelligent optimization algorithms. First, MC samples were collected and acquired with the NIR spectra in diffuse reflectance mode. Second, the content of paeonol, paeoniflorin, and gallic acid in MC was determined by high-performance liquid chromatography, and the content of total flavonoids and phenols was determined by UV-visible spectrophotometry. Afterward, all the measured content was analyzed in correlation with the NIR spectra of MC, and the partial least squares regression method was utilized to build the models. Especially, to improve the models' performance, five famous bionic swarm intelligent optimization algorithms were investigated to perform the wavelength selection. As a result, the models' performance was significantly enhanced. The coefficient of determination (R) > 0.9 and residual prediction deviation (RPD) > 3 were observed on the calibration set and the prediction set. Thus, we believe that bionic swarm intelligent optimization algorithms have the potential to enhance the performance of quantitative models considerably, which offers substantial support for the quality assessment of MC and shows promising applications in the domain of NIR analysis.
牡丹皮是一种传统的中药材,具有显著的治疗特性。现有的质量评估方法仅测量牡丹皮中一种成分的含量,显然不够全面。此外,测定过程耗时费力。因此,本文提出了一种基于近红外光谱(NIR)技术结合仿生群体智能优化算法的快速、精确、高效的牡丹皮质量评估新方法。首先,采集牡丹皮样品并采用漫反射模式获取近红外光谱。其次,采用高效液相色谱法测定牡丹皮中丹皮酚、芍药苷和没食子酸的含量,采用紫外可见分光光度法测定总黄酮和酚类的含量。然后,将所有测得的含量与牡丹皮的近红外光谱进行相关性分析,并利用偏最小二乘回归法建立模型。特别是,为了提高模型性能,研究了五种著名的仿生群体智能优化算法进行波长选择。结果,模型性能显著提高。在校准集和预测集上观察到决定系数(R)>0.9和剩余预测偏差(RPD)>3。因此,我们认为仿生群体智能优化算法有潜力显著提高定量模型的性能,这为牡丹皮的质量评估提供了有力支持,并在近红外分析领域显示出广阔的应用前景。