Detection of caffeine intake by means of EC-SERS spectroscopy of human saliva
| Autor: | Sonata Adomavičiūtė, Martynas Velicka, Valdas Šablinskas, Edvinas Zacharovas |
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| Rok vydání: | 2021 |
| Předmět: |
Saliva
Metabolite 02 engineering and technology 010402 general chemistry 01 natural sciences Analytical Chemistry chemistry.chemical_compound Theophylline Pharmacokinetics Caffeine Humans Spectroscopy Instrumentation Paraxanthine Detection limit Chromatography Spectrum Analysis 021001 nanoscience & nanotechnology Atomic and Molecular Physics and Optics 0104 chemical sciences chemistry Caffeine intake 0210 nano-technology |
| Zdroj: | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 246:118956 |
| ISSN: | 1386-1425 |
| DOI: | 10.1016/j.saa.2020.118956 |
| Popis: | This work presents the application of EC-SERS spectroscopy for the detection of caffeine consumption from human saliva. Caffeine and paraxanthine as the major metabolite of caffeine were tested. Model samples of saliva spiked with caffeine were investigated, and detection of caffeine in real-life saliva samples was tested in order to ensure the viability of the method for clinical applications. Two doses of caffeine (2 mg/kg and 3.5 mg/kg) were ingested by volunteers, and their saliva samples were taken at different time periods ranging from 1 h to 10 h after the consumption. Density functional theory calculations of caffeine and paraxanthine adsorbed on the silver surface were performed in order to better understand the adsorption of the investigated molecules and to make a correct assignment of the experimental spectral bands of the EC-SERS spectra. It was determined that a low dose caffeine consumption can be detected by the appearance of the SERS spectral marker band of caffeine and paraxanthine at 692 cm−1. The intensity of this band is mostly reasoned by the paraxanthine concentration since the intensity changes of the band over time correlates to the concentration changes of paraxanthine determined by the pharmacokinetic studies of paraxanthine and caffeine in the human saliva. It was found that the limit of detection paraxanthine in saliva by means of EC-SERS is as low as 15 μM and can be further improved. |
| Databáze: | OpenAIRE |
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