[关键词]
[摘要]
目的 利用信息熵最大化原则优化经典名方身痛逐瘀汤(Shentong Zhuyu Decoction,SZD)的UPLC指纹图谱条件。方法 采用Waters Acquity UPLC HSS T3色谱柱(100 mm×2.1 mm,1.8 μm);以乙腈-0.4%磷酸水溶液为流动相,梯度洗脱;体积流量0.6 mL/min,柱温40℃;190~400 nm全波长扫描,进样量1 μL,计算信息熵,优选SZD指纹图谱信息熵最大化的波长,在最优波长下考察流动相、柱温、体积流量、进样量,以信息熵最大化原则选择最佳条件,并以最优条件进行15批次SZD的UPLC指纹图谱研究。结果 信息熵最大化原则下的SZD UPLC指纹图谱最优条件为检测波长235 nm,乙腈-0.4%磷酸水溶液作为流动相;体积流量0.4 mL/min,柱温40℃,进样量3 μL;绝对和相对信息熵最大。15批SZD UPLC指纹图谱总量统计矩相似度0.882 8~0.995 3,总量一阶矩、信息熵的RSD值分别为5.40%、2.25%,均小于10%,说明中药多成分体系总体化学结构的印迹作用趋势稳定。结论 当色谱峰的峰数与峰面积达到最好表征时,其信息熵最大,此时峰数较多,峰形较优,分离度较好,理论塔板数较高,可确定最佳指纹图谱条件。信息熵最大化原则可为中药及其复方指纹图谱优化提供科学依据,为经典名方的质量控制奠定基础。
[Key word]
[Abstract]
Objective To optimize the condition of the fingerprint of the classic prescription Shentong Zhuyu Decoction (SZD) by the principle of information entropy maximization. Methods The chromatographic fingerprint was obtained with Acquity UPLC HSS T3 column (100 mm×2.1 mm, 1.8 μm) and gradient eluted with acetonitrile and 0.4% phosphoric acid aqueous solution; The flow rate was 0.6 mL/min, and the column temperature was maintained at 40℃; The detection wavelengths were set at 190-400 nm, and the injection volume was 1 μL, and calculate the information entropy to optimize the wavelength of maximizing the information entropy of the fingerprint of SZD, under the optimal wavelength, investigate the mobile phase, column temperature, flow rate, sample volume, select the optimal conditions based on the principle of maximizing the information entropy, and carry out the fingerprint study of 15 batches of SZD under the optimal conditions. Results Under the principle of information entropy maximization, the optimal conditions of the fingerprint of SZD were as follows:the detection wavelength was 235 nm, and gradient eluted with acetonitrile and 0.4% phosphoric acid aqueous solution; The flow rate was 0.4 mL/min, and the column temperature was maintained at 40℃, the injection volume was 3 μL; The absolute and relative entropy was the largest. The total statistical moment similarity of 15 batches of SZD fingerprints ranged from 0.882 8 to 0.995 3. The RSD values of the total first-order moment and information entropy of the total amount were 5.40% and 2.25% respectively, all of which were less than 10%, indicating that the imprinting effect of the overall chemical structure of the multi-component system of traditional Chinese medicine was stable. Conclusion When the number and area of chromatographic peaks reach the best characterization, the information entropy is the largest. At this time, the number of peaks is high, the shape of peaks is better, the resolution is good, the number of theoretical plates is higher, and the best condition of fingerprint can be determined. The principle of information entropy maximization can provide scientific basis for fingerprint optimization of traditional Chinese medicine and its compound prescription, and lay a foundation for quality control of classical formulas.
[中图分类号]
R286.02
[基金项目]
国家自然科学基金资助项目(81903759);国家自然科学基金资助项目(81874507);国家自然科学基金资助项目(81703824);国家自然科学基金资助项目(81803729);湖南省教育厅项目(18K071);湖南省“国内一流培育学科”药学开放基金资助项目(2018XY09);中药成药性与制剂制备湖南省重点实验室开放基金资助项目(2017);国家留学基金资助(201708430243);研究生创新课题(2018CX56)