化学计量学在中药苦荞麦指纹谱最佳检测波长选择中的应用

Application of chemoetrics in the choice of the best detection wavelength of the fingerprints of Fagopyrum tatarium Gaertn

目的 确定通过高效液相色谱 二极管振列检测器法 (HPLC DAD)获得的中药苦荞麦指纹图谱的最佳检测波长。方法 借助于化学计量学方面对有关信息的提取与处理获得相对峰面积之和、分离度之和、平均分离度经验参数的指标参数值及2个基于互信息理论的两个指标参数的计算 ,获得 5个波长下的信息量值。结果 这些指标参数及信息量值都能较好的反映不同检测条件下苦荞麦化学特征指纹图谱的分离质量。结论 这些指标参数的表达式在本质上是一致的 ,都可以用来客观地评价同一检测条件。

OBJECTIVE: To define the best detection wavelength of the fingerprint of Fagopyrum tatarium Gaertn which was obtained by HPLC-DAD. METHOD: The necessary infomation was extracted and processed by means of some methods of chemical metrology, and then the index parameters such as SRPA (Sum of relative peak area), SR (Sum of resolution), MR (Mean of resolution) and WSK (a experience parameter) were obtained. The information values of five wavelengths were obtained through the calculation of two index parameters of the function of mutual information. RESULT: Those parameters and information values reflected the isolation quality of the chemical characteristic fingerprint of Fagopyrum tatarium Gaertn. CONCLUSION: The expressions of those parameters were consistent with intrinsic qualities. They can be used to judge the isolation quality of the chemical characteristic fingerprint of traditional Chinese medicine.