中药一致性评价关键技术--中药光谱量子指纹评价中药一致性的理论与应用

Key technology of TCM consistency evaluation--Theory and application of spectral quantum fingerprints in quality consistency evaluation of TCM

目的提出中药光谱量子指纹图谱理论和数据处理的五种模式,将中药光谱量子指纹图谱作为中药固体制剂质量一致性评价的关键技术之一。方法对近红外光谱和中红外光谱的测定方法和特点进行总结,用流动注射法对中药混合提取液以5 m空心PEEK管(内径0.12~0.18 mm)在线测定中药全成分紫外光谱(190~400 nm),从而获得中药紫外量子指纹图谱。以咳特灵胶囊为例,建立其傅里叶红外光谱(FTIR)、紫外光谱(UV)和差示扫描量热法(DSC)量子指纹图谱并采用不同整合方法评价其质量。结果用中药系统指纹定量法的S_(m)、P_(m)评价FTIR、UV和DSC量子指纹图谱,评价结果明显不同,这可清晰反映不同厂家生产的咳特灵胶囊的质量差别。按照FTIR联用系数η≈0.8整合红外和紫外量子指纹图谱的评价结果(IRUV)更为客观和准确。按照IRUV-DSC(1∶1)进一步融合会使中药质量评价更为科学和可靠。结论中药光谱量子指纹图谱是对传统光谱的数字化赋值处理,充分利用FTIR和UV对中药进行整体定性和整体定量的简捷快速分析方法,可为中药复方制剂一致性评价提供新思路。

Objective To propose 5 models of spectral quantum fingerprint theory and data processing methods of traditional Chinese medicine(TCM),and to evaluate the quality consistency of TCM solid formulations with the spectral quantum fingerprints as a key technology.Methods The methods and characteristics of near infrared spectrum and mid-infrared spectrum were summarized.The UV spectra(190~400 nm)of the whole chemical components of TCM were determined online by flow injection method in 5 m hollow PEEK tubes(ID:0.12~0.18 mm)for the mixed extracts of TCM to obtain the UV quantum fingerprints.The FTIR,UV,and DSC quantum fingerprints of Keteling capsules were established.Results The FTIR,UV and DSC quantum fingerprints were evaluated with S_(m) and P_(m) from TCM systematically quantified fingerprint method,and the evaluation results were significantly different.This clearly reflected the difference in the quality of Keteling capsules produced by different manufacturers.When the FTIR spectral association coefficient was 0.8,the comprehensive evaluation of UV and IR quantum fingerprints(IRUV)were objective and accurate.The IRUV-DSC(1∶1)fusion made the results more reliable and scientific in TCM quality evaluation.Conclusion Quantum fingerprints of TCM spectra are a digital assignment of traditional spectra,and a simple and rapid analysis of the overall qualification and overall quantification of TCM by making full use of FTIR and UV spectra.It provides the comprehensive information of TCM quality and a key technology for TCM quality consistency evaluation.