摘要
中药炮制是中医临床用药的关键,炮制具增效、减毒、缓和药性等作用,为了临床安全、合理、有效地使用中药,开展中药炮制品的鉴别研究具有重要意义。采用傅里叶变换红外光谱,对五种不同炮制样品(包括龙胆、生龙胆、酒龙胆、醋龙胆、盐龙胆)60份滇龙胆进行鉴别分析。采集样品的中红外光谱图,用基线校正和归一化法对原始光谱进行预处理,去除光谱噪音明显部分,选择3 400~600cm^(-1)范围内的光谱,利用多元散射校正(MSC)和标准正态变量(SNV)法进行处理,样品按3∶1分为校正集和预测集,并建立主成分分析(principal component analysis,PCA)和判别分析(discriminant analysis,DA)模型。结果显示,滇龙胆不同炮制品的红外图谱具有差异,主要吸收峰有3 378,2 922,1 732,1 610,1 417,1 366,1 316,1 271,1 068,1 048cm^(-1)。1 738,1 643,1 613,1 420,1 051cm^(-1)附近为龙胆苦苷的特征吸收峰,1 068,1 048,935cm^(-1)处为糖类物质的吸收峰;主成分分析表明,前三个主成分方差累积贡献率为94.05%,能够反映原始数据的大部分信息,酒龙胆和醋龙胆与其他样品之间存在明显的差异,龙胆与盐龙胆所含化学成分差异较小;经基线校正和归一化法处理后的光谱结合多元散射校正法,在主成分数为10的条件下,判别分析模型可对所有样品进行正确识别,具有良好的预测性能。结果表明,傅里叶红外光谱法是一种快速、无损、有效的方法,可用于滇龙胆炮制品的鉴别,为中药炮制品的鉴别研究提供了借鉴。
The Processing of traditional Chinese medicine（TCM）is the key to clinical application of TCM,and processing has functions such as enhancing the efficacy,attenuating the toxicity andmoderating medicine property.In order to the realizing safe,reasonable and effective use of medicine in clinical,research on identification of TCM processed products is of great significance.The Gentiana rigescens samples which processed with five different methods were discriminated by Fourier transform infrared spectroscopy（FTIR）.Baseline correction and normalization were used to pretreat all original spectra and the noise was cut off.The spectra range was from 3 400 to 600cm^（-1）.The effect of multiple scattering correction and standard normal variable on the model were observed and compared.Samples were divided into calibration set and prediction set at the ratio of 3∶1.The principal component analysis（PCA）was applied to reduce data dimensionality and discriminant analysis model was established.The result indicated that the main absorption peaks of samples were 3 378,2 922,1 732,1 610,1 417,1 366,1 316,1 271,1 068,1 048cm^（-1） which 1 738,1 643,1 613,1 420,1 051cm^（-1） as to gentiopicrin;1 068,1 048,935cm^（-1） as to carbohydrate.The accumulation contribution rate of first three principal components is 94.05%.Most of the information reflected the original data.There were differences among different samples.The result of discriminant analysis showed that the recognition rate of G.rigescens samples could achieve to 100% based on baseline correction and normalization treatment combined with MSC with the precondition of principal component scores being 10.In conclusion,FTIR is a feasible,rapid and non-destructive method to discriminate G.rigescens samples wtih different processing methods.It also provided reference for discrimination of processed products of medicine materials.
出处
《光谱学与光谱分析》
SCIE
EI
CAS
CSCD
北大核心
2016年第5期1369-1373,共5页
Spectroscopy and Spectral Analysis
基金
国家自然科学基金项目(81260608)
云南省自然科学基金项目(2013FD066
2013FZ150
2013FD050
2014FD068)资助
关键词
滇龙胆
炮制方法
傅里叶变换红外光谱
主成分分析
判别分析
Gentiana rigescens
Processed methods
Fourier transform infrared spectroscopy
Principal component analysis
Discrimination analysis
