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| 一种无校正集的近红外光谱定量分析的新方法:相似区间最小值法 |
| 朱学义1,2,亓云鹏1,隋利娅3,吴玉田1,陆峰1* |
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| (1.第二军医大学药学院药物分析学教研室,上海 200433;2.解放军第12医院药械科,疏勒 844200;3.山东省药检所质保办,济南 250012) |
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| 摘要: |
| 目的：建立一种无需“校正集”的近红外光谱定量方法。方法：从待测化合物与混合物各一张光谱入手,提出一种相似区间最小值法无校正集分析法,即通过求导、差谱、相似性计算等手段筛选出混合物与待测化合物吸收最相似的区间,然后进行统计意义上的定量分析。结果：通过测定3个实际样品中的3种组分,得到平均回收率为100.9%,RSD＝6.1%(n=9)。结论：相似区间最小值法无校正集分析法不需“校正集”,可得到较满意的定量分析结果,为近红外定量分析技术提供了一种新的可能,具有良好的应用前景。 |
| 关键词: 近红外光谱法 定量分析 无校正集分析法 |
| DOI：10.3724/SP.J.1008.2008.00706 |
| 投稿时间：2007-10-11修订日期：2008-04-09 |
| 基金项目:上海市科学技术委员会技术标准专项基金(05dz05006). |
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| A new calibration-free quantitative method for near-infrared spectroscopy |
| ZHU Xue-yi1,2, QI Yun-peng1, SUI Li-ya3, WU Yu-tian1, LU Feng1* |
| (1.Department of Drug Analysis, School of Pharmacy, Second Military Medical University, Shanghai 200433, China;2.Department of Medicine and Apparatus, No. 12 Hospital of PLA, Shule 844200;3.Department of Quality Control, Shandong Institute for Drug Control, Jinan 250012) |
| Abstract: |
| Objective：To develop a new quantitative method without calibration set for near-infrared spectroscopy (NIR). Methods: The new calibration-free NIR method was based on a spectrum of the sample and a spectrum of the mixture. The similar intervals between the spectra of the sample and the mixture were obtained through second derivation, differential spectra and calculation of similarity. Then statistical quantitative analysis was performed. Results: The contents of 3 components in 3 samples were determined with the new method; the average recovery was 100.9% and the relative standard deviation was 6.1% (n=9). Conclusion: Satisfactory results can be obtained by this new method without traditional calibration set. The new method provides an alternative for the quantitative analysis in NIRs and has a promising future. |
| Key words: near-infrared spectroscopy quantitative analysis calibration-free method |
