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A quantitative study for determination of sugar concentration using attenuated total reflectance terahertz (ATR-THz) spectroscopy

机译:用衰减总反射率Terahertz(ATR-THZ)光谱法测定糖浓度的定量研究

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The objective of our research was to use ATR-THz spectroscopy together with chemometric for quantitative study in food analysis. Glucose, fructose and sucrose are main component of sugar both in fresh and processed fruits. The use of spectroscopic-based method for sugar determination is well reported especially using visible, near infrared (NIR) and middle infrared (MIR) spectroscopy. However, the use of terahertz spectroscopy for sugar determination in fruits has not yet been reported. In this work, a quantitative study for sugars determination using attenuated total reflectance terahertz (ATR-THz) spectroscopy was conducted. Each samples of glucose, fructose and sucrose solution with different concentrations were prepared respectively and their absorbance spectra between wavenumber 20 and 450 cm-1 (between 0.6 THz and 13.5 THz) were acquired using a terahertz-based Fourier Transform spectrometer (FARIS-1S, JASCO Co., Japan). This spectrometer was equipped with a high pressure of mercury lamp as light source and a pyroelectric sensor made from deuterated L-alanine triglycine sulfate (DLTGS) as detector. Each spectrum was acquired using 16 cm-1 of resolution and 200 scans for averaging. The spectra of water and sugar solutions were compared and discussed. The results showed that increasing sugar concentration caused decreasing absorbance. The correlation between sugar concentration and its spectra was investigated using multivariate analysis. Calibration models for glucose, fructose and sucrose determination were developed using partial least squares (PLS) regression. The calibration model was evaluated using some parameters such as coefficient of determination (R2), standard error of calibration (SEC), standard error of prediction (SEP), bias between actual and predicted sugar concentration value and ratio prediction to deviation (RPD) parameter. The cross validation method was used to validate each calibration model. It is showed that the use of ATR-THz spectroscopy combined with appropriate chemometric can be a potential for a rapid determination of sugar concentrations
机译:我们研究的目的是将ATR-THz光谱与化学计量测量一起使用,以进行食物分析的定量研究。葡萄糖,果糖和蔗糖是新鲜和加工的水果中糖的主要成分。使用光谱法用于糖测定的方法,特别是使用可见的,近红外(NIR)和中红外(MIR)光谱法的良好报道。然而,尚未报道使用Terahertz光谱法在水果中进行糖测定。在这项工作中,进行了使用减毒总反射率Terahertz(ATR-THz)光谱法测定糖测定的定量研究。分别制备各种葡萄糖,果糖和蔗糖溶液,并使用基于太赫兹的傅立叶变换光谱仪(Faris-1s,varis-1s)获得波数20和450cm-1之间的吸光光谱(0.6星形和13.5 rHz)。 Jasco Co.,日本)。此光谱仪装备有汞灯的高压作为光源,并从氘化L-丙氨酸三甘氨酸硫酸盐(DLTGS)作为检测器制成的热电传感器。使用16cm-1的分辨率和200扫描获得每个光谱,用于平均。比较和讨论水和糖溶液的光谱。结果表明,增加糖浓度导致吸光度降低。研究了使用多变量分析研究了糖浓度及其光谱的相关性。使用局部最小二乘(PLS)回归开发葡萄糖,果糖和蔗糖测定的校准模型。使用一些参数评估校准模型,例如诸如确定系数(R2),校准标准误差(SEC),预测标准误差(SEP),实际和预测的糖浓度值与偏差的比率预测(RPD)参数之间的偏差(RPD)参数。 。交叉验证方法用于验证每个校准模型。结果表明,使用ATR-THZ光谱与适当的化学计量计量可以是快速测定糖浓度的可能性

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