Determination of Glucose in a Biological Matrix by Multivariate Analysis of Multiple Band-Pass-Filtered Fourier Transform Near-Infrared Interferograms

The analytical methods for the determination of the amine solvent properties do not provide input data for real-time process control and optimization and are labor-intensive, time-consuming, and impractical for studies of dynamic changes in a process. In this study, the potential of nondestructive determination of amine concentration, CO2 loading, and water content in CO2 absorption solvent in the gas processing unit was investigated through Fourier transform near-infrared (FT-NIR) spectroscopy that has the ability to readily carry out multicomponent analysis in association with multivariate analysis methods. The FT-NIR spectra for the solvent were captured and interpreted by using suitable spectra wavenumber regions through multivariate statistical techniques such as partial least square (PLS). The calibration model developed for amine determination had the highest coefficient of determination (R2) of 0.9955 and RMSECV of 0.75%. CO2 calibration model achieved R2 of 0.9902 with RMSECV of 0.25% whereas the water calibration model had R2 of 0.9915 with RMSECV of 1.02%. The statistical evaluation of the validation samples also confirmed that the difference between the actual value and the predicted value from the calibration model was not significantly different and acceptable. Therefore, the amine, CO2, and water models have given a satisfactory result for the concentration determination using the FT-NIR technique. The results of this study indicated that FT-NIR spectroscopy with chemometrics and multivariate technique can be used for the CO2 solvent monitoring to replace the time-consuming and labor-intensive conventional methods.

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Simultaneous Determination of Caffeine and Taurine in Energy Drinks by FT-MIR Spectroscopy Coupled with Multivariate Analysis

Journal of Spectroscopy ◽

10.1155/2020/8835846 ◽

2020 ◽

Vol 2020 ◽

pp. 1-7

Author(s):

Marcela González-Vázquez ◽

Ofelia Gabriela Meza-Márquez ◽

Tzayhri Gallardo-Velázquez ◽

Guillermo Osorio-Revilla ◽

José Luis Velázquez Hernández ◽

...

Keyword(s):

Multivariate Analysis ◽

Fourier Transform ◽

Standard Error ◽

Energy Drinks ◽

Mid Infrared ◽

Determination Coefficient ◽

Caffeine Content ◽

Mir Spectroscopy ◽

Validation Stage

Energy drinks have been studied due to their damaging side effects on the health of their consumers when consumed in excess or when combined with alcohol. Our objective was to develop chemometric models, based on Fourier-transform mid-infrared (FT-MIR) spectroscopy, to quantify the taurine and caffeine content in energy drinks rapidly and simultaneously. The taurine and caffeine content in the 50 samples ranged between 0 and 69.51 mg/100 mL and 14.92 and 1126.17 mg/100 mL, respectively. The best prediction model was obtained with the partial least squares (PLS1) algorithm; for taurine, the following values were obtained: determination coefficient of calibration (Rc2) = 0.9999, standard error of calibration (SEC) = 0.15, determination coefficient of validation (Rv2) = 0.9997, and standard error of prediction (SEP) = 0.16; for caffeine, Rc2 = 0.9999, SEC = 0.26, Rv2 = 0.9999, and SEP = 0.32. The model developed with PLS1 showed certainty in predictions during the validation stage and during application to external samples. FT-MIR coupled to chemometrics is a reliable and fast technique (compared to conventional techniques) to quantify taurine and caffeine in energy drinks simultaneously.

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