Abstract

THEORETICAL-CHEMICAL-QUANTUM ANALYSIS OF SARIN NEUROTOXICITY

Dr. Manuel González-Pérez*, Donovan Gonzalez-Martinez, Eva Luz González-Martínez, Daniel Pacheco-Bautista and Alfonso Medel-Rojas

ABSTRACT

Sarin is a potent chemical weapon as a neurotoxic agent. Its dominant toxicity, ease of dispersion in the air and natural degradation allows rapid deployment by an attacking force. The objective of this very theoretical research was to find the molecular interactions of sarin vs. nine neurotransmitters (NT) that are most important for the functioning of the human nervous system. We use the hyperchem software to perform the quantum calculations, and we rely on the theory of the electron transfer coefficient to perform the calculations. We find that sarin oxidizes the nine NT investigated. For this reason, this neurotoxic it must be prohibited in all its uses. We conclude that the neurotoxic compound affects GABA, Noradrenaline, and Acetylcholine, mainly in that order.

Keywords: Sarin, Neurotoxicity, Quantum Chemical.