近红外光谱法非破坏性同时测定海洛因、O^6单乙酰吗啡、乙酰可待因

A New Method for Fast and Nondestructive Analysis of Heroin,6-Acetylmorphine and Codeine in Drug by Near Infrared Spectroscopy

提出了近红外漫反射光谱快速无损测定缴获白粉中海洛因、O6单乙酰吗啡、乙酰可待因含量新方法。采用GC-MS分析了缴获88份白粉中这3组分的质量百分含量范围分别为12.15%~79.54%,0.4%~18.56%,0.23%~9.11%。以交叉验证误差均方根(RMSECV)为指标,确定各组分用于建模的最优近红外波段和光谱预处理方法,采用偏最小二乘算法建立近红外光谱与这三组分GC-MS分析值之间的校正模型,并以此预测了35个白粉样本。δ代表预测样本NIR值/GC-MS值,海洛因、O6单乙酰吗啡、乙酰可待因δ值的均值为100.63%,100.35%和98.71%,RSD分别为3.96%,7.02%,8.54%。该方法快速无损,结果可靠。

A new method using near infrared spectroscopy （NIRS） for fast and non destructive determination of heroin, 6-acetylmorphine and codeine in drug was proposed. The contents of herion, 6-acetylmorphine and codeine in the prepared 88 samples ranged in 12.15%-79.54%, 0.4% -18.56%, 0.23% -9.11% respectively by GC-MS. Different wavenumber ranges and spectrum preprocessing method were investigated according to the root mean squsre error of cross-validation （RMSECV） values. Using partial least squares （PLS）, three calibration models were developed to correlate NIR spectra and the values determined by GC-MS. These models were successfully applied to predict 35 unknown samples. δ stands for the ratio of NIR value and GC-MS value. The average value of δ are 100.63 % , 100.35% and 98.71% and RSD are 3.96% , 7. 02% and 8.54%. The method is fast , non destructive and accurate.