Biomedical Analysis of Amine Compounds Causing Cancer Using Computational and Chemical Simulations

In this research, the biomedical and thermodynamic stability of ammonia derivatives were studied in the light of their potentially harmful role in cosmetic products. For instance, pigments in cosmetics such as amine compounds contain restrictions for their usage due to the fact that they release carcinogens.

A certain commercial products show rather low in toxicity and are can be safely used for patients, having shown that there is an absence of evidence of carcinogenicity. Other compounds show immediate side effects such as rashes or long-term side effects.

The focus of this paper is the stereochemical stability and toxicity of ammonia compounds which
were examined through computer simulations. Specifically, molecular editing programs were used to
measure the optimization energy of each compound tested in the simulation. Ammonia complexes with relatively low optimization energies were predicted to be more thermodynamically stable than those with relatively high energies, as a compound that stabilizes with the least energy is the most stable.