逼近理想解排序法优化紫外和红外指纹图谱及燃烧热整合模型评价维C银翘片

目的: 建立维C银翘片紫外指纹图谱和红外指纹图谱及测定燃烧热,对系统指纹定量法评价的质量结果用4种模型整合评价维C银翘片质量,并采用逼近理想解排序法寻求最佳评价模式以真实全面地反映其质量。方法: 用流动注射分析采集190~400 nm 紫外指纹图谱来重点反映中药化学组分中的π→π*、n→π*和n→σ*化学键信息;采集4000-400 cm^-1红外指纹图谱来突出反映多种化学单键、双键和三键等化学键振动(转动)对中红外线的吸收,尤以饱和单键为主,两者均以光谱点为评价单元。通过测定能衡量中药全化学物质的燃烧热从整体上精准表征中药制剂全部化学成分含量。3种分析方法采用多模式合理整合,采用Topsis法优化选择最佳评级模式。结果: Topsis评价结果表明紫外红外指纹谱结合(UI)是维C银翘片质量评价的最佳模式,在UI评价模式下评价出S9和S12质量很好(2级),其余质量极好(1级)。结论: 利用2种光谱指纹图谱实现了对中药全化学成分的(双键、三键和饱和键)全面监测。多维指纹谱技术和多维分析技术的恰当整合是一种综合鉴别、客观量化和精准评价中药质量的有效可行方法,任何单一方法都无法清晰准确揭示中药复杂系统的真实本源。

Objective: To adopt the ultraviolet spectrum fingerprints(UVFP),infrared spectrum fingerprints(IRFP)combining with the combustion heat to evaluate the quality of 12 batches of Wei C Yinqiao tablets samples.The quality evaluation results by systematic qualified fingerprint method(SQFM)were integrated in four models and the technique for order preference by similarity to ideal solution(Topsis)was employed to investigate the optimal model to overall reflect the authentic quality of Wei C Yinqiao tablets.Methods:The flowing injection analysis(FIA)method was employed to record UVFP(190-400 nm)to reflect the chemical bond information of the chemical constituents(π→π*,n→π* and n→σ*).The IRFP in the range of 4000-400 cm^-1 was recorded to reflect the absorptive capacity to mid-infrared of chemical bond vibration(rotation)including the single bond,double bond and triple bond,in which the single bond was the most important,and the spectrum point was used as the evaluating unit for both.The combustion of heat similarity(CHS)to represent all the chemicals compositions of traditional Chinese medicine(TCM)were determined to entirely display the total contents of all the chemical constituents.The three kinds of analysis methods were adequately integrated in multiple models to evaluate the Wei C Yinqiao tablets quality,and Topsis was used to select the optimal one.Results:The optimization results by Topsis indicated that the combination of UVFP and IRFP(UI)was the best model to assess the quality of Wei C Yinqiao tablets.In the UI integration model,the quality of S9 and S12 was better(grade 2)and that of others was the best(grade 1).Conclusion:The combination of UVFP and IRFP achieved the overall monitoring of the double bond,triple bond and saturation bond in traditional Chinese medicine.The appropriate integration of the multi-dimensional fingerprints and the multi-dimensional analysis methods was an effective and feasible method to comprehensively identify,objectively quantify and accurately evaluate traditional Chinese medicine quality,of which any single method could not accurately reflect the original origin of the complex system of traditional Chinese medicine.