CAJ | 학술논문

建立近红外光谱（near infrared spectroscopy ，NIRS）法快速测定复方苦参注射液原料药材苦参和白土苓中多指标成分含量的方法，探讨其在中成药原料质量保障系统中的应用可行性。以 HPLC法测定苦参中氧化苦参碱、氧化槐果碱、苦参碱和槐果碱以及白土苓中大泽米苷的含量为对照值；采用近红外漫反射模式采集样品光谱，比较不同建模波段及光谱预处理方法的建模效果，优选出最佳建模参数；采用偏最小二乘法分别建立白土苓中大泽米苷和苦参中氧化苦参碱与苦参碱总量、槐果碱与氧化槐果碱总量的近红外定量分析模型，并对模型进行评价。结果显示，HPLC测定的88批白土苓中大泽米苷和75批苦参中氧化苦参碱与苦参碱总量、槐果碱与氧化槐果碱总量分别0.36～12.88，8.87～66.31和2.30～15.11 mg · g -1。所建立的三组指标成分的 NIRS定量校正模型性能良好，各模型校正集内部交叉验证 R2为0.9025，0.9491，0.9137，RMSECV 为0.961，2.45，0.724 mg · g -1；验证集外部验证 R20.9817，0.9826，0.9609， RMSEP为0.693，2.27，0.658 mg · g -1。建立了快速定量苦参和白土苓中多指标成分的含量的近红外分析方法，所建立的定量分析模型能够满足复方苦参注射液大生产对大批量原料样品化学信息快速获取的需求。
건립근홍외광보（near infrared spectroscopy ，NIRS）법쾌속측정복방고삼주사액원료약재고삼화백토령중다지표성분함량적방법，탐토기재중성약원료질량보장계통중적응용가행성。이 HPLC법측정고삼중양화고삼감、양화괴과감、고삼감화괴과감이급백토령중대택미감적함량위대조치；채용근홍외만반사모식채집양품광보，비교불동건모파단급광보예처리방법적건모효과，우선출최가건모삼수；채용편최소이승법분별건립백토령중대택미감화고삼중양화고삼감여고삼감총량、괴과감여양화괴과감총량적근홍외정량분석모형，병대모형진행평개。결과현시，HPLC측정적88비백토령중대택미감화75비고삼중양화고삼감여고삼감총량、괴과감여양화괴과감총량분별0.36～12.88，8.87～66.31화2.30～15.11 mg · g -1。소건립적삼조지표성분적 NIRS정량교정모형성능량호，각모형교정집내부교차험증 R2위0.9025，0.9491，0.9137，RMSECV 위0.961，2.45，0.724 mg · g -1；험증집외부험증 R20.9817，0.9826，0.9609， RMSEP위0.693，2.27，0.658 mg · g -1。건립료쾌속정량고삼화백토령중다지표성분적함량적근홍외분석방법，소건립적정량분석모형능구만족복방고삼주사액대생산대대비량원료양품화학신식쾌속획취적수구。
A rapid NIRS method for determination of macrozamin in Heterosmilacis japonicae rhizoma (HJR) ,and the total content of oxymatrine and matrine (OM T+M T ) as well as the total content of oxysophocarpine and sophocarpine (OSC+SC) in sophorae f lavescens radix (SFR) was developed to explore the application feasibility of NIRS for the quality assurance system of Chinese patent drugs .The contents of macrozamin in HJR samples ,and OMT+MT and OSC+SC in SFR samples were deter-mined by HPLC as reference values .The NIR spectra of the samples were measured in a diffused reflection mode .The different characteristic wavebands and pretreatment methods were optimized .The quantitative calibration models between the NIR spectra and the content reference values of marker components in HJR and SFR samples ,were established with partial least square method ,and further optimized through the cross validation and external validation .The contents of macrozamin in 88 batches of HJR samples were over the range of 0.36~12.88 mg · g -1 .The total contents of OMT +MT and OSC+SC in 75 batches of SFR samples were over the range of 8.87~66.31 and 2.30~15.11 mg · g -1 ,respectively .The performance of the final models for macrozamin ,OMT+MT and OSC+SC was evaluated well according to correlation coefficients (r) ,root mean square error of cross-validation (RMSECV) and root mean square error of prediction (RMSEP) .The R2 values of the cross-validation for macrozamin ,OMT+MT and OSC+ SC were 0.902 5 ,0.949 1 and 0.913 7 ,and those of RMSECV were 0.961 ,2.45 and 0.724 mg · g -1 respectively .The R2 values of external validation for the three models were 0.981 7 ,0.982 6 and 0.960 9 ,and those of RMSEP were 0.693 ,2.27 and 0.658 mg · g -1 ,respectively .This is the first report on rapid determination of mac-rozamin in Heterosmilacis japonicae rhizoma ,and oxymatrine ,matrine ,oxysophocarpine and sophocarpine in sophorae flaves-cens radix by NIRS method .The presented method can fulfill the requirement of rapid acquirement of chemical information of raw medicinal materials prior the manufacturing of compound Kushen injection .