基于太赫兹辐射的精氨酸水溶液光谱分析及定量检测

Spectral analysis and quantitative detection of arginine aqueous solution based on terahertz radiation

研究基于太赫兹时域光谱(THz-TD-ATR)对精氨酸溶液进行定量分析。配制成不同浓度的精氨酸样品,分析处理其在太赫兹频段内的光谱信息,对比不同频率下吸收与浓度的线性关系后,选用0.5 THz处的浓度-吸收系数关系。通过逐步线性回归(SLR)法建立分析模型,并用均方根误差(RMSE)及决定系数(R2)对模型进行评价。在0.5THz处校准集的RMSE和R2分别为0.7%和0.99。通过建立回归模型对预测样品进行浓度预测,预测值与真值之间回归模型的RMSE和R2分别为0.058和0.99,说明波段优化所建立的模型有较为准确的预测结果。该研究结果的得出,验证了THz-TD-ATR技术用于精氨酸溶液定量分析的可行性,为含水液体样品的预测提供一种高效、高精度、快速无损稳定的检测方法。

This paper studies the quantitative analysis of arginine solution based on terahertz time-domain spectroscopy(THz-TD-ATR).Arginine samples with different concentrations were prepared,their spectral information in the terahertz band were analyzed,the linear relationship between absorption and concentration at different frequencies were compared,and concentration-absorption coefficient relationship at 0.5 THz was selected.The analysis model was established by linear regression(SLR)method and evaluated with root mean square error(RMSE)and determination system(R2).The RMSE and R2 of the calibration set at 0.5 THz were 0.7%and 0.99,respectively.The model was then used in the sample concentration prediction.The RMSE and R2 of the regression model between predicted value and true value are 0.058 and 0.99,respectively,indicating that the model established by band optimization has more accurate prediction results.The findings show that THz-TD-ATR technology for quantitative analysis of arginine in a solution is feasible,precise,stable,fast and non-destructive.