目的 采用近紅外光譜（NIR）法對制川烏提取、濃縮液中的單酯型生物堿類成分（MAs）進(jìn)行快速定量分析。方法 應(yīng)用近紅外透射光譜法搜集103個制川烏樣品的NIR數(shù)據(jù)，采用偏最小二乘回歸（PLS）法建立NIR信息與MAs之間的定量分析模型。結(jié)果 制川烏提取、濃縮液中MAs的近紅外透射光譜模型建模的光譜范圍為9 264.35～7 274.11 cm^?1，校正模型的內(nèi)部交叉驗證均方根（RMSECV）為1.171，相關(guān)系數(shù)（r）為0.999 4；經(jīng)外部驗證，預(yù)測均方根誤差（RMSEP）為1.321，r為0.992 1；經(jīng)相關(guān)性統(tǒng)計學(xué)分析，MAs的預(yù)測值與HPLC參考值的r為0.999 0，P＜0.001，說明NIR法與HPLC法測定MAs相關(guān)性較好，可以較準(zhǔn)確預(yù)測其覆蓋范圍的MAs的量。結(jié)論 本法具有方便、快速、準(zhǔn)確、環(huán)保等特點，可用于制川烏提取、濃縮過程中MAs量的在線監(jiān)測，進(jìn)而較準(zhǔn)確地判定提取、濃縮終點。

Objective To rapidly and quantitatively analyze the monoester alkaloids (MAs) in the extracting and concentrating process of Aconiti Radix Cocta (ARC) by near infrared spectroscopy (NIR). Methods Using NIR to collect the data of 103 ARC samples and using partial least squares (PLS) regression method to establish the quantitative analysis model of MAs between the information of NIR and MAs. Results The spectral range of MAs model of ARC was 9 264.35—7 274.11 cm^?1. The root mean square error of cross validation (RMSECV) was 1.171 and correlation coefficient (r) of the calibration model was 0.999 4. Through the external validation, the root mean square error of prediction (RMSEP) was 1.321 and r of the validation model was 0.992 1. According to the results of statistical analysis, r of the predicted value and the reference value of MAs was 0.999 0. The value of P is less than 0.001. This revealed that the NIR and HPLC methods had a good correlation in determining MAs and could accurately predict the amount of MAs in the covered range. Conclusion This method is convenient, rapid, accurate, and environment protective, and could be used for the on-line determination of MAs in the extracting and concentrating process of ARC and for the determination of the extraction and concentration endpoint of ARC.

廣東省省部產(chǎn)學(xué)研結(jié)合科技創(chuàng)新平臺項目（2011A091000005）；廣東省中醫(yī)藥局科研課題（20121241）