Inspection of oils, caffeine containing foods and consumable plant leaves by time-domain THz spectroscopy

Karaliūnas, Mindaugas; Dapšys, Ignas; Urbanowicz, Andrzej; Vektaris, Gytis; Vektarienė, Aušra; Bražinskienė, Dalia; Asadauskas, Svajus; Kašalynas, Irmantas; Valušis, Gintaras

doi:10.1109/irmmw-thz.2019.8873934

Cited by 3 publications

(1 citation statement)

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“…[19] In addition, THz radiation photon energy is very low, only a few millionths of X-ray radiation energy, so THz waves do not produce harmful photoionization and damage biological molecules. [20] Combined with its nondestructive, accurate, and rapid capabilities and good penetrability, [21] THz spectroscopy also has many other potential applications in several research fields, including physics, [22][23][24] biology, [25][26][27] chemistry, [28][29][30] and medicine. [31][32][33] For example, in 2010, Shen et al measured the refractive index and absorption coefficient of caffeine by terahertz time-domain spectroscopy (THz-TDS) and simulated the same properties using density functional theory (DFT) and Hartree fork (HF) methods.…”

Section: Introductionmentioning

confidence: 99%

Qualitative and Quantitative Analysis of Caffeine in Medicines by Terahertz Spectroscopy Using Machine Learning Method

Yang

Shi

et al. 2021

IEEE Access

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Caffeine is an alkaloid and may be the most commonly ingested pharmacologically active substance in the world, but continuous abuse may lead to "caffeine poisoning". In this study, we propose a method for the qualitative and quantitative analysis of caffeine in various medicines using terahertz spectroscopy combined with chemometrics. By comparing this terahertz (THz) spectroscopy technology (Fourier transform infrared instrument, FTIR) with high performance liquid chromatography (HPLC) and Raman spectroscopy, we prove that there is less than a 5% difference between the THz and HPLC results, which is far superior to the nondestructive testing results obtained using Raman spectroscopy. In addition, the quantitative analysis of caffeine in 86 medicines was conducted using the support vector regression (SVR) chemometric method, and the correlation coefficient R achieves 99.61%. Therefore, we have effectively proven that THz spectroscopy technology combined with chemometric can achieve nondestructive, fast, and efficient qualitative and quantitative detection of key ingredients in medicines.

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