首页|傅里叶变换红外光谱技术对金银花中有效成分定量模型建立及含量测定

傅里叶变换红外光谱技术对金银花中有效成分定量模型建立及含量测定

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中药材"安全、稳定、有效、可靠"是中医药现代化发展的现实需求,针对中药材质量良莠不齐的实际情况探索快速、精准、无损新型含量测定方法是目前中药材质量控制领域亟待解决问题之一.金银花有效成分复杂、质量波动较大,利用傅里叶变换红外光谱技术对金银花有效成分进行高效、无损快速测定可能是推动其质量控制的有效措施.该研究将HPLC法与傅里叶变换红外光谱技术相结合,运用化学计量学方法,建立金银花有效成分的含量测定模型,以期为金银花的快速、精准含量测定提供新方法.利用傅里叶变换光谱仪采集了河南、河北、山东三个产地共64份金银花的红外光谱,使用高效液相色谱(HPLC)法同时测定金银花中绿原酸、当药苷、断氧化马钱子苷、木犀草苷、异绿原酸A、异绿原酸C六种有效成分的含量.使用TQ分析软件中多元散射校正(MSC)、标准正态变换(SNV)、偏最小二乘法(PLS)、逐步多元线性回归(SMLR)、一阶导数(1st)、二阶导数(2nd)及SG卷曲平滑和诺里斯导数滤波(ND)进行光谱处理建立模型.经过对河南、河北、山东共64份金银花样品的化学计量学分析,结果表明PLS+MSC+2nd Der+NS对绿原酸含量测定效果最好,相关系数为0.754 9,平均绝对偏差为0.24%;PLS+MSC+1st Der+ND对当药苷的含量测定效果最好,相关系数为0.936 9,平均绝对偏差为0.00%;PLS+MSC+1st Der+SG对断氧化马钱子苷含量测定效果最好,相关系数为0.967 8,平均绝对偏差为-0.06%;PLS+MSC+1st Der+NS、PLS+MSC+1st Der+SG以及PLS+SNV+1st Der+SG对木犀草苷的含量测定效果最好,相关系数为0.859 0,平均绝对偏差为0.01%;PLS+MSC+2nd Der+ND对异绿原酸A的含量测定效果最好,相关系数为0.933 9,平均绝对偏差为0.11%;PLS+MSC+2nd Der+SG对异绿原酸C的含量测定效果最好,相关系数为0.866 1,平均绝对偏差为0.01%.通过傅里叶变换光谱技术建立对金银花有效成分的定量模型可以实现对未知金银花有效成分的含量测定,该研究为金银花有效成分的快速、无损测定提供了新的方法依据,有助于推动中药材质量的稳定、可控.
Quantitative Modeling and Content Determination of Active Ingredients in Lonicera Japonica Flos by Fourier Transform Infrared Spectroscopy
Chinese medicinal materials are"safe,stable,effective and reliable",which is the real demand for the modernization and development of Chinese medicine.To explore new rapid,accurate and non-destructive content determination methods for Chinese medicinal materials with varying quality is one of the urgent problems in the field of quality control of Chinese medicinal materials.The active ingredients of Lonicerae Japonicae Flos are complex and fluctuate in quality.The efficient,non-destructive and rapid determination of the active ingredients of Lonicerae Japonicae Flos using Fourier transform infrared spectroscopy may be an effective measure to promote its quality control.In this study,the HPLC method was combined with Fourier transform infrared spectroscopy to establish a model for the determination of the active ingredients of Lonicerae Japonicae Flos using chemometric methods,in order to provide a new method for the rapid and accurate content determination of Lonicerae Japonicae Flos.In this study,the infrared spectra of 64 Lonicera Japonica Flos samples from Henan,Hebei and Shandong provinces were collected using a Fourier transform spectrometer.Simultaneous determination of the contents of six active ingredients in Lonicera Japonica Flos including chlorogenic acid,sweroside,secoxyloganin,cynaroside,isochlorogenic acid A and isochlorogenic acid C by HPLC.Multiple scattering correction(MSC),stand ard normal transformation(SNV),partial least squares(PLS),stepwise multiple linear regression(SMLR),first derivative(1st),second derivative(2nd),SG curl smoothing and Norris derivative filtering(ND)in TQ analysis software are used for spectral processing to establish the model after the chemometric analysis of 64 Lonicera Japonica Flos samples from Henan,Hebei and Shand ong.The result shows that the model of"PLS+MSC+2nd Der+NS"has the best prediction effect on chlorogenic acid content,with a correlation coefficient of 0.754 9 and an average absolute deviation of 0.24%.The"PLS+MSC+1st Der+ND"model has the best prediction effect on sweroside content,with a correlation coefficient of 0.936 9 and an average absolute deviation of 0.00%.The"PLS+MSC+1st Der+SG"model has the best prediction effect on secoxyloganin content,with a correlation coefficient of 0.967 8 and an average absolute deviation of-0.06%,the model of"PLS+MSC+1st Der+NS,PLS+MSC+1st Der+SG and PLS+SNV+1st Der+SG"has the best prediction effect on cynaroside content,with a correlation coefficient of 0.859 0 and an average absolute deviation of 0.01%.The model of"PLS+MSC+2nd Der+ND"has the best prediction effect on isochlorogenic acid A content,with a correlation coefficient of 0.933 9 and an average absolute deviation of 0.11%.The model of"PLS+MSC+2nd Der+SG"has the best prediction effect on isochlorogenic acid C content,with a correlation coefficient of 0.866 1 and an average absolute deviation of 0.01%.It can be seen that the quantitative model of the active ingredients in Lonicerae Japonicae Flos established by Fourier transform spectral data can realize the content prediction of the active ingredients in unknown Lonicerae Japonicae Flos samples.This study provides a new method for the rapid and non-destructive testing of the active ingredients of Lonicerae Japonicae Flos,and also helps to achieve stable and controllable quality of traditional Chinese medicinal materials.

Lonicera Japonica FlosQuantitative modelFT-infrared spectrumContent prediction

顾旭鹏、杨林林、齐大明、刘天亮、董诚明

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河南中医药大学药学院,河南 郑州 450046

河南省道地药材生态种植工程技术研究中心,河南郑州 450046

金银花 定量模型 傅里叶变换红外图谱 含量测定

国家自然科学基金项目

82104329

2024

光谱学与光谱分析
中国光学学会

光谱学与光谱分析

CSTPCD北大核心
影响因子:0.897
ISSN:1000-0593
年,卷(期):2024.44(2)
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