Stereo-chemical Analysis of Surface Functionalized C60 and Radiotracers Used in Detection of Tumor Cells and Alzheimer’s Disease

In the case of the neurodegenerative diseases such as Alzheimer’s Disease (AD), an accumulation of a misfolded protein called beta amyloid form amyloid plaques between  nerve cells in the brain. While the occurrence of these neuronal degeneration is still unclear, research suggests that these amyloid molecules produce free radicals and induce oxidative stress in the brain.  Under such oxidative stress, reactive oxygen species (ROS) are overproduced and trigger a chain of reactions.  In recent years, multi-target directed ligands (MTDLs) have been effective tools in various medical treatments. In AD,  fullerene molecules can be used to deliver electrons to the free radicals that cause damage to neurons. The purpose of this research paper is to study the efficiency of delivering electrons to the ROS in the brain by using C60 fullerene derivatives. Using the molecular editing software, various information was extracted about fullerenes and other forms of C60 molecules with different types of elements and compounds bonded to them. Optimization energies (kJ/mol) of the molecules were found and used to determine the stability of the molecules while dipole moments were used to determine the reactivity and efficiency of the molecule to donate or accept electrons from the ROS molecules.