Caffeine in deutero water, solvent isotope effect on hydration properties

3rd International Conference on Chemo and BioInformatics, Kragujevac, September 25-26. 2025. (pp. 565-568) 

 

АУТОР(И) / AUTHOR(S): Andrija Vukov, Teonda Teodora Borović, Nikolet Cako Baganj, Jovana Selak, Snežana Papović, Sanja Belić, Slobodan Gadžurić, Milan Vraneš

 

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DOI:  10.46793/ICCBIKG25.565V

САЖЕТАК / ABSTRACT:

Caffeine has been the subject of numerous studies due to it being the most used psychoactive compound in the world. Most applications of caffeine require it to be dissolved in water, which is primarily composed of H2O but also contains a small but everpresent amount of D2O. While investigations of H2O’s effect on caffeine are extensive, a glaring gap exists in the literature as regards to the effect of D2O on caffeine. Therefore this work endeavours to investigate the effects of deuterated water on caffeine hydration properties through density and viscosity measurements. These measurements were performed on a series of solutions from 0.02 to 0.12 mol·kg-1 over the temperature range of 289.13 K to 318.15 K. Results show that caffeine behaviour is notably different, it interacts less with D2O than H2O, molar volume is greater in D2O and caffeine acts as a typical structure maker in D2O as opposed to an atypical one in H2O.

КЉУЧНЕ РЕЧИ / KEYWORDS:

Caffeine, Deuterium Oxide, Density, Viscosity

ПРОЈЕКАТ / ACKNOWLEDGEMENT:

This research is funded by the Secretariat for Higher Education and Scientific Research of the Autonomous Province of Vojvodina, Serbia (Grant No. 142-451-2545/2021-01/2), and the Ministry of Science, Technological Development and Innovation of the Republic of Serbia (Grant No. 451-03-47/2023-01/200125 and Doctoral Stipend for Andrija Vukov No. 451-418/2024-03/3324).

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