title: Ab initio studies of the decomposition of nitrosourea in the presence of cations.
abstract: Self-consistent (Hartree-Fock) calculations of the process of decomposition of protonated and lithiated syn-N-nitrosourea show that the presence of cations perturbs the electron distribution significantly. The decomposition of nitrosourea is facilitated when a proton or lithium ion is positioned at the oxygen of the nitroso group. These results may suggest clinical experimentation with nitrosoureas used in conjunction with lithium salts.
authors.affiliation: City University of New York, Graduate Center, New York 10019.
authors.forename: A M
authors.initials: AM
authors.lastname: Sapse
authors.forename: E B
authors.initials: EB
authors.lastname: Allen
authors.forename: L
authors.initials: L
authors.lastname: Fugler-Domenico
mesh_terms: D004355:Drug Stability; D008094:Lithium; D009607:Nitrosourea Compounds; D011522:Protons
chemical_list: D009607:Nitrosourea Compounds; D011522:Protons; D008094:Lithium