Physical Sciences and Mathematics Commons^™

Computational Investigation Of Pernicious Compounds: Arsenic And High Energy Density Materials And Their Relevant Mechanisms, Lenora Kathleen Harper

Chemistry & Biochemistry Theses & Dissertations

The underlying mechanisms of chemical warfare agents (CWAs) and high energy density materials (HEDMs) are poorly understood, yet important to the development of chemical applications in military science and technology. The reactivity of arsenite and arsenic-based CWA lewisite with biological thiols plays an important role in toxicity of these elements. Toxic effects of arsenite are eliminated when arsenite and selenite are co-administered, due to their antagonistic relationship. The arsenic-based CWA lewisite is detoxified by the dithiol-containing British anti-lewisite (BAL). The reduction of arsenous acid by thiol, the formation of an As-Se species, and the detoxification of lewisite with BAL have …