光谱学与光谱分析
光譜學與光譜分析
광보학여광보분석
SPECTROSCOPY AND SPECTRAL ANALYSIS
2010年
2期
358-362
,共5页
戴传云%高晓燕%汤波%傅亚%刘火安
戴傳雲%高曉燕%湯波%傅亞%劉火安
대전운%고효연%탕파%부아%류화안
近红外光谱(NIRS)%双黄连口服液%绿原酸%连翘苷
近紅外光譜(NIRS)%雙黃連口服液%綠原痠%連翹苷
근홍외광보(NIRS)%쌍황련구복액%록원산%련교감
NIRS%Shuanghuanglian oral fluid%Chlorogenie%Phillyrin
选择多批双黄连口服液样本,应用HPLC法测定绿原酸和连翘苷的含量,同时进行NIRS测定,建立了绿原酸和连翘苷的含量预测模型,以相对偏差(RSEP)及相关系数(r)为指标考察数据处理方法,以交互验证均方根误筹(RMSECV)为指标考察NIRS的预处理方法及选择光谱范围或波数点.数据处理方法为逐步多元线性回归(SMLR),直接采用原始光谱进行建模,绿原酸的波数为6 654.06和7 106.08 cm~(-1),连翘苷的波数为5 456.06和7 222.08 cm~(-1),最优模型预测绿原酸和连翘苷含量的RMSECV分别为0.857 26和0.889 87,相关系数分别为0.857 26和0.889 87.外部交互验证的结果表明该预测模型准确可靠,可作为双黄连口服液的快速质量评价控制方法.
選擇多批雙黃連口服液樣本,應用HPLC法測定綠原痠和連翹苷的含量,同時進行NIRS測定,建立瞭綠原痠和連翹苷的含量預測模型,以相對偏差(RSEP)及相關繫數(r)為指標攷察數據處理方法,以交互驗證均方根誤籌(RMSECV)為指標攷察NIRS的預處理方法及選擇光譜範圍或波數點.數據處理方法為逐步多元線性迴歸(SMLR),直接採用原始光譜進行建模,綠原痠的波數為6 654.06和7 106.08 cm~(-1),連翹苷的波數為5 456.06和7 222.08 cm~(-1),最優模型預測綠原痠和連翹苷含量的RMSECV分彆為0.857 26和0.889 87,相關繫數分彆為0.857 26和0.889 87.外部交互驗證的結果錶明該預測模型準確可靠,可作為雙黃連口服液的快速質量評價控製方法.
선택다비쌍황련구복액양본,응용HPLC법측정록원산화련교감적함량,동시진행NIRS측정,건립료록원산화련교감적함량예측모형,이상대편차(RSEP)급상관계수(r)위지표고찰수거처리방법,이교호험증균방근오주(RMSECV)위지표고찰NIRS적예처리방법급선택광보범위혹파수점.수거처리방법위축보다원선성회귀(SMLR),직접채용원시광보진행건모,록원산적파수위6 654.06화7 106.08 cm~(-1),련교감적파수위5 456.06화7 222.08 cm~(-1),최우모형예측록원산화련교감함량적RMSECV분별위0.857 26화0.889 87,상관계수분별위0.857 26화0.889 87.외부교호험증적결과표명해예측모형준학가고,가작위쌍황련구복액적쾌속질량평개공제방법.
The aim of the present study was to establish the model of predicting the contents of chlorogenic acid and phillyrin in Shuanghuanglian oral fluid using NIR to realize quick quality evaluation of Shuanghuanglian oral fluid.To this end,many batches of Shuanghuanglian oral fluid were selected,and the contents of chlorogenic acid and phillyrin were determined using HPLC.Meanwhile,the NIR spectra of the same samples were determined.The model used to predict the contents of ehlorogenie acid and phillyrin in Shuanghuanglian oral fluid was established by correlation analysis between the results gained by HPLC and NIR spectra.According to the value of RSEP and r,the method of data processing was chosen.The method of spectra processing and wavelength range or wave numbers were chosen based on the value of RMSECV.The method of data processing was SMLR.The original spectra were used to establish the model.The wave numbers in the model used to predict the contents of chlorogenic acid and phillyrin were 6 654.06/7 106.08 cm~(-1),and 5 456.06/7 222.08 cm~(-1) respectively.The RMSECV and the correlation coefficient of the best model of chlorogenic acid and phillyrin were 0.857 26,0.889 87 and 0.857 26 and 0.889 87.The results of cross validation indicate that the predicting model was accurate and credible,and could be used as a rapid quality control method of Shuanghuanglian oral fluid.