摘要
采用太赫兹衰减全反射光谱,研究20~450cm-1范围内不同浓度甘氨酸水溶液的光谱信息,将光谱进行二阶导数预处理后,选择不同波数进行随机组合,确定最适三波数组合模型,并建立最适拟合三元线性回归方程。结果表明,分别在65.56,127.28,173.56,308.55cm-1处出现清晰的吸收峰;回归方程R2Adj为0.990 3,均方根误差为0.005 7,预测均方根误差为1.658 9。
Terahertz attenuated total reflection spectroscopy was employed to investigate the terahertz absorption spectra of different concentration glycine solutions within 20~450 cm-1 at room temperature.There are four clear absorption peaks at 65.56,127.28,173.56,308.55 cm-1 respectively.The 2 nd derivative spectra and the multiple linear regressions were employed to perform the quantitative analysis of the glycine solution concentration.Randomly combine different wave numbers,the optimum ternary linear regression equation was gained.The R2 Adjwas 0.990 3,the Root Mean Square Error(RMSE)was 0.005 7,the Root Mean Squares Error of Prediction(RMSEP)was 1.658 9.
作者
程丽
马微
刘祺
小川雄一
CHENG Li;MA Wei;LIU Qi;OGAWA Yui-chi(Engineering Research Center of Agricultural Microbiology Technology, Ministry of Education,Heilongjiang University, Harbin, Heilongjiang 150500, China;Technology Center of Dongning Customs District P R China, Dongning, Heilongjiang 157299, China;Graduate School of Agriculture, Kyoto University, Kyoto 6068502, Japan)
出处
《食品与机械》
北大核心
2019年第8期69-72,共4页
Food and Machinery
基金
黑龙江省教育厅科学技术研究(面上)项目(编号:12511411)
关键词
太赫兹衰减全反射
甘氨酸水溶液
定量分析
二阶导数
多元线性回归
Terahertz attenuated total reflection
glycine solutions
quantitative analysis
2nd derivative
multiple linear regressions
