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酸度分布-光谱法中波谱重叠程度与测定准确度的关系的研究

The Study on the Effect of Overlapped Degree of Spectra on Accuracy in pH Distribution-Absorption Spectra

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【作者】 朱仲良宓守刚丛培盛吴湘惠

【Author】 ZHU Zhong-liang, Ml Shou-gang, CONG Pei-sheng, WU Xiang-hui(Department of Chemistry, Tongji University, Shanghai 200092, China)

【机构】 同济大学化学系同济大学化学系 上海200092上海200092上海200092

【摘要】 根据待测物随pH变化的分布分数曲线并结合其吸收光谱构成两维波谱数据矩阵,利用约束背景双线性分解法(CBBL)可从未知干扰背景的灰色体系中对其进行定量分析。通过模拟实验,对待测物各型体间的波谱重叠程度及待测物与干扰物的分布分数曲线之间的波谱重叠程度对测定准确度的影响进行了研究。确定了可对待测物准确地进行定量分析时分析体系中波谱间的波谱重叠程度值。对酪氨酸、色氨酸和苯丙氨酸三种氨基酸的混合样的测定结果验证了预报准确度与波谱重叠程度之间的依赖关系。

【Abstract】 Based on the two-dimensional matrix which consisted of the absorption spectra and the fraction curves of species at different pH value, the concentration of analyte can be determined in a gray system by Constrained Background Bilinerization (CB-BL) algorithm. It is studied the effect of overlapped degree of spectra on the accuracy through the simulated experiment data. Two situations of overlapped degrees of spectra are discussed in detail, i. e. the overlapped degree of absorption spectra between each species of the analyte and distribution curves between analyte and interference. It is deduced the value of overlapped degree of spectra which can ensure the high accuracy for the determination of the analyte. The analysis results of tyrosine, tryptophan and phenylalanine confirm the conclusion that the determination accuracy depends on the value of overlapped degree.

【基金】 国家自然基金重点资助项目(No:29836140)
  • 【文献出处】 计算机与应用化学 ,Computers and Applied Chemistry , 编辑部邮箱 ,2002年Z1期
  • 【分类号】O657.3
  • 【被引频次】3
  • 【下载频次】43
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