51. Physicochemical, thermal and computational study of the encapsulation of rumenic acid by natural and modified cyclodextrins
- Author
-
José Manuel López-Nicolás, Adrián Matencio, Francisco García-Carmona, and Carlos Javier García Hernández-Gil
- Subjects
0301 basic medicine ,Chemical Phenomena ,Critical micellar concentration ,Rumenic acid ,Protein Structure, Secondary ,Analytical Chemistry ,03 medical and health sciences ,chemistry.chemical_compound ,0302 clinical medicine ,Thermal ,Cyclodextrin ,Organic chemistry ,Linoleic Acids, Conjugated ,Conjugated linoleic acid ,Encapsulation ,chemistry.chemical_classification ,Cyclodextrins ,beta-Cyclodextrins ,Temperature ,General Medicine ,2-Hydroxypropyl-beta-cyclodextrin ,Encapsulation (networking) ,Molecular Docking Simulation ,030104 developmental biology ,chemistry ,Chemical engineering ,030220 oncology & carcinogenesis ,Critical micelle concentration ,Thermodynamics ,Stoichiometry ,Food Science - Abstract
In this work the aggregation behavior of Rumenic acid (RA) is presented for the first time. The results point to a c.m.c. of 35 μM at pH 8 and 25 °C. This behavior can be modified by introducing CDs into the system to encapsulate the RA. The encapsulation process presented a 1:1 stoichiometry in all the cases studied but the complexation constants were strongly dependent on the type of CDs used, the pH and temperature. Firstly, the effect of the type of CD on the encapsulation process was studied. Among the natural and modified CDs analyzed HPβCD was the best for encapsulating RA. The pKa determined for RA was 4.31. The KF showed different behavior below and above 25 °C due to changes in the stoichiometry. Finally, molecular docking calculations provided further insights into how the different interactions influence the complexation constant.
- Published
- 2017