Four flavonols namely: Quercetin, Morin, Kaempferol and Myricetin were studied using spectrophotometry UV/Vis, in aqueous solution. The study was performed varying the pH to analyze the stability of these compounds, and to estimate their acidity constants. In addition, the deprotonation mechanisms were studied using computational chemistry, within the Density Functional...
In the first part of this thesis, the behavior of intrinsic reactivity parameters for a representative sample of first row transition metal cations is studied under spherical con- finement conditions by solving numerically the non-relativistic spin polarized Kohn-Sham equations for atoms. It was determined that, in contrast with neutral atoms,...
This paper presents the results obtained on the study of two anti-inflammatory drugs: Diclofenac (DCF) and Acetaminophen (ACT). They belong to the group called AINE's (nonsteroidal anti-inflammatory), and are mainly used by humans in the treatment of acute pain and inflammation because of their analgesic, antipyretic and anti-inflammatory properties. They...