基于太赫兹光谱技术的D-无水葡萄糖定性定量分析研究

发布时间：2019-02-23 11:29

【摘要】：葡萄糖是生命活动中重要的有机分子,研究葡萄糖在太赫兹波段的吸收特性并开展定性定量分析研究具有重要意义。太赫兹光谱对大分子物质具有特异性,当光谱穿透生物大分子时,由于分子间作用力和分子转动振动等因素影响,会产生太赫兹光谱下的特征指纹峰,不同大分子物质的指纹峰具有特异性,利用这一特征可以对不同大分子物质进行鉴别。本研究选取D-无水葡萄糖为研究对象,首先运用太赫兹时域光谱技术测量得到葡萄糖样品的时域光谱,测得的时域光谱经过傅里叶变换得到频域光谱,再采用Dorney和Duvillaret方法计算得到吸收系数,研究样品的吸收特性,然后开展了数学建模研究并建立了D-无水葡萄糖含量与太赫兹光谱的定量预测数学模型。研究结果表明,D-无水葡萄糖在太赫兹波段呈现明显的吸收特性,比较多元线性回归与偏最小二乘方法建立的回归模型,通过多元线性回归对样品的特征指纹峰建立的回归模型,得到的预测模型精度较高,稳定性较好,模型的校正集相关系数达0.977 2,均方根误差为0.061 6,预测集相关系数为0.992 7,预测均方根误差为0.055 2,从而太赫兹时域光谱技术可用于有效开展D-无水葡萄糖定性定量研究,该研究为运用太赫兹光谱技术手段开展果蔬、食品、药品中葡萄糖含量快速检测提供方法参考。
[Abstract]:Glucose is an important organic molecule in life activities. It is of great significance to study the absorption characteristics of glucose in terahertz band and to carry out qualitative and quantitative analysis. The terahertz spectrum is specific to macromolecules. When the spectrum penetrates biological macromolecules, the characteristic fingerprint peaks in the terahertz spectrum will be produced due to the influence of intermolecular force and molecular rotational vibration. The fingerprint peaks of different macromolecules have specificity, which can be used to identify different macromolecules. In this study, D- anhydrous glucose was selected as the research object. Firstly, the time domain spectra of glucose samples were measured by terahertz time-domain spectroscopy, and the time-domain spectra were obtained by Fourier transform. Then the absorption coefficient was calculated by Dorney and Duvillaret methods, and the absorption characteristics of the samples were studied. Then the mathematical model of D- anhydrous glucose content and terahertz spectrum was established. The mathematical model of D- anhydrous glucose content and terahertz spectrum was established. The results show that the absorption of D-anhydrous glucose in terahertz band is obvious, and the regression model established by multivariate linear regression and partial least square method is compared. The regression model established by multivariate linear regression to the characteristic fingerprint peak of the sample has high precision and good stability. The correlation coefficient of the calibration set of the model is 0.977 2, and the root mean square error is 0.061 6. The correlation coefficient of prediction set is 0.992, and the root mean square error of prediction is 0.055 2. Therefore, terahertz time-domain spectroscopy can be used for the qualitative and quantitative study of D- anhydrous glucose. This study provides a reference for the rapid determination of glucose in fruits, vegetables, foods and drugs by using terahertz spectroscopy.
【作者单位】：北京农业信息技术研究中心;国家农业信息化工程技术研究中心;农业部农业信息技术重点实验室;首都师范大学;农业部农业遥感机理与定量遥感重点实验室;
【基金】：国家重点研发计划项目(2016YFD0702002) 北京市农林科学院国际合作项目(GJHZ2017-7);北京市农林科学院级创新团队项目(JNKYT201604)资助
【分类号】：O629.1;O657.3

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