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

机译:使用衰减全反射太赫兹(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光谱学与化学计量学一起用于食品分析中的定量研究。葡萄糖,果糖和蔗糖都是新鲜水果和加工水果中糖的主要成分。众所周知,基于光谱的方法用于糖的测定尤其是使用可见,近红外(NIR)和中红外(MIR)光谱。但是,尚未报道使用太赫兹光谱法测定水果中的糖。在这项工作中,进行了使用衰减全反射太赫兹(ATR-THz)光谱测定糖的定量研究。分别准备了不同浓度的葡萄糖,果糖和蔗糖溶液的每个样品,并使用基于太赫兹的傅立叶变换光谱仪(FARIS-1S,分别在20和450 cm-1(0.6 THz和13.5 THz之间)的波数之间获得了吸收光谱。日本JASCO公司)。该光谱仪配备有高压汞灯作为光源,以及由氘化的L-丙氨酸三甘氨酸硫酸盐(DLTGS)制成的热电传感器作为检测器。使用16 cm-1的分辨率和200次扫描求平均值,从而获得每个光谱。比较和讨论了水和糖溶液的光谱。结果表明,糖浓度的增加导致吸光度的降低。糖浓度及其光谱之间的相关性进行了多变量分析。使用偏最小二乘(PLS)回归建立了葡萄糖,果糖和蔗糖测定的校准模型。使用一些参数来评估校准模型,例如确定系数(R2),校准标准误差(SEC),预测标准误差(SEP),实际糖浓度值和预测糖浓度值之间的偏差以及预测偏差率(RPD)参数。交叉验证方法用于验证每个校准模型。结果表明,结合使用ATR-THz光谱和适当的化学计量学可以快速确定糖浓度

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