l-Arginine ethyl ester (LAEE) is a nutritional supplement available as a substitute to l-arginine for athletes looking to improve endurance or performance. It is hypothesized that there is a higher efficacy associated with LAEE due to an assumed higher bioavailability and stability in physiological environments, though this is not confirmed in the scientific literature. The hydrolysis of LAEE into l-arginine and ethanol is a pH dependent reaction that occurs readily at physiological pH values. However, the mechanism is not well understood. Thus, a study was undertaken to examine the activation parameters associated with the hydrolysis at three different pH values. The parameters were determined first through experimental analysis using H1-NMR and then theoretically through computational modeling. A comparison of the theoretical and experimental results is the subject of this presentation.

Experimental and computational analysis of activation parameters for non-enzymatic hydrolysis of l-arginine ethyl ester at various pH values

255th National Meeting (2018)

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