FTIR指纹图谱计算机快速分析

Quick Analysis of FTIR Spectrum by Computer

以不同产地白花蛇舌草及其伪品水线草的生药材为研究对象,制备它们的粉末样品和不同极性溶剂提取物的傅立叶变换红外指纹图谱(FTIR)。将FTIR图谱上各特征峰看作是多维空间内的向量,利用向量夹角余弦的基本公式计算2个指纹图谱间的相似度,并用VC++编程自动完成色谱峰匹配并计算相似度。结果表明各产地白花蛇舌草之间的相似度要大于它们与水线草FTIR图谱之间的相似度,说明该程序能较好的定量评价FTIR指纹图谱间的相似性,可应用于中药质量快速鉴定。

Taking the herb hedyotidis from different areas and its fake-oldenlandiacorymbosa as research objects, Fourier transform infrared (FTIR) absorption spectra of powder of raw plant and extracted of different polar solvents were obtained. Treating the characteristic peaks in FTIR fingerprints as vector of hyperspace, the similarity between two spectra can be counted according to vectorial angle formula. This process was performed with software written in VC++ having a function of automatic peak tracking. The result showed that this method is a good way to evaluate the similarity between two FTIR fingerprints and is helpful in quality control of traditional Chinese medicine.