Biochemical Stability and Safety Analysis of Nano-scaled Biochemical Compounds Used in Contrast Agents in MRI and Positron Emission Tomography(PET)

This project aims to determine the thermodynamic stability and safety of various nano-scaled biochemical compounds used in contrast agents in MRI and Positron Emission Tomography(PET) scanning. By using molecular editing computer programs and a computational chemistry method, this paper discovers the optimal form of the biochemical molecules used in bio-imaging and molecular diagnostics of Alzheimer's disease. Nanoparticles(NPs) are widely used for the purposes of fluorescent imaging, mainly of cells and tissues. For selective targeting of specific cells, surface functionalization has been developed using biochemical nanoparticles used in treatment of Alzheimer's and cancer disease. The Density Functional Theory (DFT), a computational chemistry modeling method, was used to model the electron properties of the compounds. Avogadro is an open-source molecular editing program with an auto-optimization feature which can determine the theoretical values of a structure's atomic properties. It allows users to build virtually any molecule with the optimized geometry according to various force field options.