The Interaction between Dopamine and C۶۰: A DFT Approach

Dopamine is a neurotransmitter produced in the brain. It plays a role as a "reward center" and in many body functions, including memory, movement, motivation, mood, attention, and learning. High or low dopamine levels are associated with diseases including Parkinson's disease, restless legs syndrome and attention deficit hyperactivity disorder (ADHD). A computational method based on Density Functional Theory (DFT) called B۳LYP/۶-۳۱G was used to study the interaction of Dopamine with C۶۰. The results showed that the energy levels of the orbitals decreased significantly when the dopamine structure was linked to the C۶۰ structure. In the study, some other characteristics such as chemical potential, chemical hardness, and electrophilicity in these structures were found to change considerably. These changes show dependency on the electron affinity of C۶۰ [۱-۴].

Keywords:

C۶۰ , Dopamine , DFT , HOMO- LUMO gap